SMILES for 5-hydroxytryptamine receptor 3A

1630 SMILES Strings for 5-hydroxytryptamine receptor 3A

Compound Name

SMILES String

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,)|

BDBM99926

Brc1cc2[nH][nH]c3cn([C@H]4CN5CCC4CC5)c(=O)c(c1)c23 |r,wU:9.8,(-3.18,-5.01,;-1.85,-4.23,;-.51,-5,;.82,-4.23,;2.29,-4.71,;3.18,-3.32,;2.16,-1.92,;2.16,-.38,;.82,.39,;.82,1.93,;-.51,2.7,;-.51,4.24,;.82,5.01,;2.16,4.24,;2.16,2.7,;.56,2.7,;1.33,3.97,;-.51,-.38,;-1.85,.39,;-.51,-1.92,;-1.85,-2.69,;.82,-2.69,)|

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,)|

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|

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,)|

BDBM50420607

Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

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,)|

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,)|

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,)|

BDBM322337

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

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM50459888

C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N

BDBM50419049

C(C1CCCCC1)c1cnc[nH]1

BDBM82563

C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12

BDBM82562

C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12

BDBM50110300

C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1

BDBM50029150

C(Cc1c[nH]c2ccccc12)C1CCNCC1

BDBM50488611

C(Cc1ccc2[nH]cnc2c1)N1CCN(CC1)c1cccc2ccccc12

BDBM50409935

C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12

BDBM50103071

C(Cc1ccccc1)Cn1c(nc2ccccc12)N1CCNCC1

BDBM50103073

C(Cn1c(nc2ccccc12)N1CCNCC1)c1ccccc1

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,)|

BDBM50407786

C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1

BDBM50081968

C(N1CCN(CC1)c1nc2ncccc2n2cccc12)c1ccccc1

BDBM50257037

C(N1CCN(CC1)c1ncccn1)c1c[nH]c(n1)-c1ccccc1

BDBM50004308

C(N1CCNCC1)c1ccccc1

BDBM50278564

C(OC1CCNCC1)c1ccc2ccccc2c1

BDBM50278526

C(Oc1ccc2ccccc2c1)C1CCNCC1

BDBM50459885

C(Sc1[nH]cnc2ncnc12)c1cccc2ccccc12

BDBM92417

C(Sc1ncnc2nc[nH]c12)c1ccc2OCOc2c1

BDBM92415

C(Sc1ncnc2nc[nH]c12)c1cccc2ccccc12

BDBM92418

C(Sc1ncnc2nc[nH]c12)c1ccccc1

BDBM92425

C(Sc1ncnc2sc3CCCCc3c12)c1ccccc1

BDBM92426

C(Sc1ncnc2sc3CCCc3c12)c1ccccc1

BDBM92427

C(Sc1ncnc2scc(-c3ccccc3)c12)c1ccccc1

BDBM56655

C(Sc1ncnc2sccc12)c1ccccc1

BDBM50103076

C(c1ccc2ccccc2c1)n1c(nc2ccccc12)N1CCNCC1

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|

BDBM50342538

C(c1ccccc1)c1ncc2CCNCCc2n1

BDBM50103072

C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1

BDBM82564

C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12

BDBM50211207

C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1 |t:11,TLB:21:7:0:4.2.3|

BDBM50007408

C1CC(CCN1)c1ccccc1

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,)|

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,)|

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,)|

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,)|

BDBM83449

C1CCN(CC1)C1(CCCCC1)c1ccccc1

BDBM50025470

C1CCN(CC1)c1ccc2ccccc2n1

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,)|

BDBM50573246

C1CN(CCN1)c1c[nH]nc1-c1ccccc1

BDBM50014407

C1CN(CCN1)c1ccc2ccccc2n1

BDBM50035057

C1CN(CCN1)c1cccc2OCCOc12

BDBM50007407

C1CN(CCN1)c1cccc2ccccc12

BDBM50001898

C1CN(CCN1)c1ccccc1

BDBM50400884

C1CN(CCN1)c1ccccc1Sc1ccccc1

BDBM50103077

C1CN(CCN1)c1nc2ccccc2[nH]1

BDBM50007403

C1CN(CCN1)c1ncccn1

BDBM50211206

C1CN2CC1C1(CN=C(Nc3nc4ccccc4s3)O1)C2 |t:8,TLB:6:5:1.0:3,THB:19:5:1.0:3|

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|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM410145

C1CN2CCC1[C@H](C2)Nc1noc2cc(ccc12)-n1cccn1 |r,wU:6.9,TLB:8:6:1.0:4.3,(-5.87,-.51,;-5.42,-1.64,;-5.68,-3.58,;-7.24,-4.25,;-7.44,-2.84,;-5.94,-2.18,;-4.56,-2.8,;-4.28,-4.22,;-3.36,-1.84,;-1.93,-2.4,;-1.7,-3.93,;-.25,-4.01,;.56,-2.55,;2,-2.01,;2.26,-.49,;1.07,.48,;-.37,-.06,;-.63,-1.57,;3.62,.02,;4.79,-.84,;5.97,.02,;5.52,1.4,;4.07,1.4,)|

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,)|

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,)|

BDBM50019848

C1CN=C(N1)C1COc2ccccc2O1 |c:2|

BDBM50573242

C1CNCCN(C1)c1c[nH]nc1-c1ccccc1

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|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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|

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|

BDBM50103074

C=CCn1c(nc2ccccc12)N1CCNCC1

BDBM50323040

CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|

BDBM92432

CC(=O)CSc1ncnc2sc(cc12)-c1ccccc1

BDBM50330456

CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21

BDBM50330445

CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21

BDBM91610

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

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|

BDBM92437

CC(=O)c1c(N)nc(nc1SCc1ccccc1)-c1ccccc1

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|

BDBM50280934

CC(C)(C)NCC(O)COc1cccc2CCCSc12

BDBM392076

CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|

BDBM50008735

CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34

BDBM50317865

CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1

BDBM50400878

CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM410119

CC(C)(C)c1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:10.9,TLB:9:10:13.14:16.17,(2,.61,;2.54,-.83,;3.08,-2.28,;3.98,-.29,;1.09,-1.38,;-.1,-.4,;-1.54,-.94,;-1.79,-2.46,;-3.09,-3.28,;-4.52,-2.72,;-5.73,-3.68,;-5.44,-5.1,;-6.84,-4.46,;-6.58,-2.52,;-7.03,-1.39,;-7.11,-3.06,;-8.61,-3.72,;-8.41,-5.13,;-2.86,-4.81,;-1.41,-4.89,;-.6,-3.43,;.84,-2.89,)|

BDBM322430

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

BDBM50437000

CC(C)(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM221639

CC(C)CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:12:13:21:16.18.17|

BDBM81993

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|

BDBM50329744

CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:31:30:25.26.27:29.22.23|

BDBM50334448

CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:9.8,(15.89,-21.07,;15.34,-19.64,;13.82,-19.39,;16.31,-18.44,;15.77,-17.01,;16.79,-15.26,;15.64,-14.22,;15.64,-12.68,;14.3,-11.91,;14.3,-10.37,;12.97,-9.61,;12.97,-8.07,;14.3,-7.3,;15.63,-8.07,;15.63,-9.6,;14.13,-9.1,;14.45,-8.46,;12.98,-12.68,;11.63,-11.89,;12.98,-14.22,;11.64,-14.99,;11.64,-16.54,;12.98,-17.31,;14.31,-16.54,;14.31,-14.99,)|

BDBM50329755

CC(C)N(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:17.18,TLB:16:17:21.20:23.24,(13.98,-18.53,;12.44,-18.54,;11.66,-17.21,;11.67,-19.87,;12.44,-21.21,;10.13,-19.88,;9.22,-18.62,;7.75,-19.1,;6.41,-18.34,;5.08,-19.11,;5.08,-20.65,;6.42,-21.43,;7.75,-20.65,;9.22,-21.13,;6.41,-16.8,;5.07,-16.03,;7.74,-16.03,;7.73,-14.49,;7.54,-13.11,;9.01,-12.46,;10.36,-13.07,;10.64,-14.47,;9.27,-13.83,;9.52,-11.93,;9.08,-10.82,)|

BDBM50019443

CC(C)NCC(O)COc1cccc2[nH]ccc12

BDBM25761

CC(C)NCC(O)COc1cccc2ccccc12

BDBM25764

CC(C)NCC(O)COc1ccccc1CC=C

BDBM50397298

CC(C)Nc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1

BDBM410141

CC(C)Oc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:10.9,TLB:9:10:13.14:16.17,(2.61,2.32,;3.73,1.4,;5.09,1.91,;3.49,-.04,;2.13,-.55,;.95,.43,;-.5,-.11,;-.75,-1.63,;-2.05,-2.46,;-3.48,-1.89,;-4.69,-2.85,;-4.4,-4.28,;-5.8,-3.63,;-5.54,-1.69,;-5.99,-.56,;-6.07,-2.23,;-7.57,-2.89,;-7.37,-4.3,;-1.82,-3.98,;-.37,-4.07,;.44,-2.61,;1.88,-2.07,)|

BDBM410140

CC(C)Oc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:10.9,TLB:9:10:13.14:16.17,(2.54,2.26,;3.66,1.34,;5.02,1.85,;3.42,-.1,;2.06,-.61,;.87,.37,;-.57,-.17,;-.82,-1.69,;-2.12,-2.52,;-3.56,-1.95,;-4.76,-2.91,;-4.47,-4.34,;-5.87,-3.69,;-5.61,-1.75,;-6.07,-.62,;-6.14,-2.29,;-7.64,-2.95,;-7.44,-4.36,;-1.89,-4.04,;-.44,-4.13,;.37,-2.67,;1.81,-2.13,)|

BDBM322437

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

BDBM221605

CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2cc(F)ccc12 |TLB:11:12:20:15.17.16|

BDBM221526

CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc12 |TLB:11:12:20:15.17.16|

BDBM221568

CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12 |TLB:11:12:20:15.17.16|

BDBM221525

CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:11:12:20:15.17.16|

BDBM50329743

CC(C)[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22|

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,)|

BDBM50249134

CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12

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,)|

BDBM322407

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

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,)|

BDBM50436997

CC(C)c1nc2cc(Cl)cc(C(=O)NCC3CCN(CC(O)CN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM50436991

CC(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN(C)C(C)=O)CC3)c2[nH]1

BDBM50436993

CC(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN(C)S(C)(=O)=O)CC3)c2[nH]1

BDBM50437002

CC(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM50436988

CC(C)c1nc2cccc(C(=O)NCC3CCN(CC4CCN(CC4)C(C)=O)CC3)c2[nH]1

BDBM50436990

CC(C)c1nc2cccc(C(=O)NCC3CCN(CC4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM50436994

CC(C)c1nc2cccc(C(=O)NCC3CCN(CCN4CCN(CC4)C(C)=O)CC3)c2[nH]1

BDBM50436996

CC(C)c1nc2cccc(C(=O)NCC3CCN(CCN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM50334447

CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:8.7,(5.55,-19.44,;6.52,-18.25,;8.03,-18.49,;5.97,-16.81,;7,-15.06,;5.85,-14.02,;5.85,-12.48,;4.51,-11.71,;4.5,-10.18,;3.17,-9.41,;3.17,-7.87,;4.51,-7.1,;5.84,-7.87,;5.84,-9.4,;4.33,-8.9,;4.65,-8.27,;3.18,-12.48,;1.84,-11.7,;3.18,-14.03,;1.85,-14.8,;1.84,-16.34,;3.18,-17.11,;4.51,-16.34,;4.51,-14.8,)|

BDBM50334446

CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:8.7,(-3.99,-20.22,;-3.02,-19.03,;-1.5,-19.27,;-3.56,-17.59,;-2.53,-15.84,;-3.69,-14.8,;-3.68,-13.26,;-5.02,-12.49,;-5.03,-10.95,;-6.36,-10.19,;-6.36,-8.65,;-5.02,-7.88,;-3.69,-8.65,;-3.69,-10.18,;-5.2,-9.68,;-4.88,-9.04,;-6.35,-13.26,;-7.7,-12.48,;-6.35,-14.81,;-7.69,-15.58,;-7.69,-17.12,;-6.35,-17.89,;-5.02,-17.12,;-5.02,-15.58,)|

BDBM50056404

CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18|

BDBM50214494

CC(C)n1cnc2c(cc(Cl)cc12)C(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|

BDBM50214493

CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@@H]1CN2CCC1CC2 |wD:16.17,(10.97,-11.6,;11.99,-10.46,;13.51,-10.76,;11.51,-8.99,;12.41,-7.75,;11.5,-6.49,;10.03,-6.98,;8.7,-6.21,;7.37,-7.01,;7.37,-8.55,;6.03,-9.32,;8.7,-9.32,;10.04,-8.52,;8.69,-4.67,;7.36,-3.93,;10.03,-3.9,;10.02,-2.36,;8.69,-1.62,;8.69,-.08,;10.03,.72,;11.36,-.08,;11.36,-1.59,;10.58,-.26,;9.48,-1.36,)|

BDBM50214492

CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2 |wU:16.17,(10.96,-11.59,;11.99,-10.44,;13.49,-10.75,;11.5,-8.98,;12.41,-7.74,;11.49,-6.49,;10.03,-6.98,;8.69,-6.21,;7.36,-6.98,;7.36,-8.53,;6.02,-9.3,;8.69,-9.3,;10.03,-8.51,;8.68,-4.67,;7.35,-3.92,;10.02,-3.9,;10.01,-2.36,;8.68,-1.61,;8.68,-.05,;10.02,.71,;11.35,-.05,;11.35,-1.59,;10.56,-.26,;9.47,-1.35,)|

BDBM99931

CC(C)n1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:9.8,(3.2,-5.55,;1.71,-5.15,;.62,-6.24,;1.31,-3.66,;2.22,-2.42,;1.31,-1.17,;1.74,.39,;.87,1.66,;-.67,1.78,;-1.06,3.26,;-2.55,3.66,;-2.95,5.15,;-1.86,6.24,;-.37,5.84,;.02,4.35,;-1.46,4.01,;-1.46,5.55,;-1.71,.65,;-3.2,1.05,;-1.48,-.88,;-2.82,-1.65,;-2.82,-3.19,;-1.48,-3.96,;-.15,-3.19,;-.15,-1.65,)|

BDBM50365249

CC(C)n1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|

BDBM85818

CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12

BDBM86057

CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N

BDBM50436999

CC(F)(F)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM82472

CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12

BDBM50133229

CC(N)Cc1c[nH]c2ccc3OCCCc3c12

BDBM50014210

CC(N)Cc1c[nH]c2ccccc12

BDBM50005247

CC(N)Cc1ccc2OCOc2c1

BDBM50005246

CC(N)Cc1ccccc1

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,)|

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,)|

BDBM50378386

CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM322434

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

BDBM50459887

CC12CCC(CC1)C(C)(C)O2 |(11.48,-8.16,;11.51,-6.62,;9.94,-7.29,;9.74,-5.88,;11.24,-5.23,;11.31,-3.55,;11.77,-4.68,;12.62,-5.85,;14.13,-5.55,;13.25,-4.44,;12.91,-7.27,)|

BDBM50295835

CC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O

BDBM50196472

CC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O

BDBM50295833

CC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O

BDBM50098551

CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|

BDBM50330469

CC1CCc2c(C1)nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O

BDBM50330466

CC1CCc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2C1

BDBM50196466

CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O

BDBM50196480

CCC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O

BDBM50326219

CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1

BDBM50456725

CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|

BDBM50456732

CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|

BDBM50240618

CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10|

BDBM84950

CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1

BDBM85026

CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM82505

CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1

BDBM50327860

CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1

BDBM50327863

CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1

BDBM50327861

CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1

BDBM50413521

CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1

BDBM50582600

CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50456728

CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|

BDBM85826

CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1

BDBM85827

CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1

BDBM21393

CCCN(CCC)C1CCc2cccc(O)c2C1

BDBM50094670

CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23

BDBM50582609

CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50020680

CCCN(CCC)CCc1cccc2NC(=O)Cc12

BDBM50582602

CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50013019

CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1

BDBM50025467

CCCN(CCC)c1ccc2ccccc2n1

BDBM50399616

CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1

BDBM50399619

CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1

BDBM50399614

CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1

BDBM50399623

CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1

BDBM50399622

CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1

BDBM50399620

CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1

BDBM50399615

CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1

BDBM50293279

CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1

BDBM81924

CCCN1CCCC(C1)c1cccc(O)c1

BDBM84637

CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|

BDBM81958

CCCN1CCN(CC1)c1ccc2ccccc2n1

BDBM86475

CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O

BDBM50582599

CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50116766

CCCN[C@H]1CCc2nc(N)sc2C1 |r|

BDBM50329742

CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22|

BDBM91599

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

BDBM50295830

CCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM50292604

CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12

BDBM48320

CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC

BDBM73402

CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1

BDBM50056401

CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC

BDBM94507

CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1

BDBM50582608

CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50582601

CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50363286

CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:33:32:27.28.29:31.24.25|

BDBM50363294

CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:40:39:34.35.36:38.31.32|

BDBM50363284

CCN(CC)c1ccc2cc(C(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:32:31:26.27.28:30.23.24|

BDBM50363295

CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:45:44:39.40.41:43.36.37|

BDBM50363288

CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:37:36:31.32.33:35.28.29|

BDBM50363293

CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:39:38:33.34.35:37.30.31|

BDBM50329754

CCN(CC)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:17.18,TLB:16:17:21.20:23.24,(.57,-1.9,;-.97,-1.9,;-1.74,-3.24,;-.97,-4.57,;.57,-4.56,;-3.28,-3.24,;-4.19,-1.99,;-5.66,-2.47,;-7,-1.7,;-8.32,-2.47,;-8.33,-4.02,;-6.99,-4.79,;-5.66,-4.02,;-4.19,-4.49,;-7,-.16,;-8.34,.6,;-5.67,.61,;-5.67,2.15,;-5.87,3.53,;-4.4,4.18,;-3.05,3.57,;-2.77,2.17,;-4.14,2.81,;-3.88,4.71,;-4.33,5.81,)|

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,)|

BDBM199542

CCN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12 |THB:11:9:2:4.5.6|

BDBM50413522

CCN1CCC(COc2nc3ccsc3n3cccc23)CC1

BDBM81790

CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC

BDBM11638

CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O

BDBM50007518

CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC

BDBM233392

CCN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12

BDBM50354612

CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25|

BDBM50148832

CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|

BDBM50582598

CCNCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50329757

CCNc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:15.16,TLB:14:15:19.18:21.22,(5.36,-2.91,;3.82,-2.91,;3.05,-4.25,;1.52,-4.25,;.6,-3,;-.87,-3.48,;-2.2,-2.71,;-3.53,-3.48,;-3.54,-5.03,;-2.2,-5.8,;-.87,-5.03,;.6,-5.51,;-2.21,-1.17,;-3.55,-.41,;-.88,-.4,;-.88,1.14,;-1.08,2.52,;.39,3.17,;1.74,2.56,;2.02,1.16,;.65,1.8,;.91,3.7,;.46,4.8,)|

BDBM50148830

CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|

BDBM50148833

CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|

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,)|

BDBM92436

CCOc1ccc(CSc2ncnc(SCc3ccc(OCC)cc3)c2N)cc1

BDBM410143

CCOc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD: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,)|

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,)|

BDBM322435

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

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,)|

BDBM322436

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

BDBM35226

CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|

BDBM50078561

CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1

BDBM221637

CCS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:10:11:19:14.16.15|

BDBM50031942

CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|

BDBM50067812

CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|

BDBM50292383

CC[C@@]12CCCN3CC[C@@]4([C@H]13)C(=Nc1ccccc41)C(C2)C(=O)OC |r,c:13|

BDBM50329741

CC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329748

CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22|

BDBM50503043

CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|

BDBM50503047

CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|

BDBM50503044

CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|

BDBM50292385

CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C(=O)OC)[C@H]23 |r|

BDBM50292384

CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C([O-])=O)[C@H]23 |r|

BDBM34142

CCc1[nH]c2ccc(OC)cc2c1CCN(C)C

BDBM50171290

CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

BDBM86441

CCc1cc2c(ccc3cnn(CC(C)N)c23)o1

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,)|

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,)|

BDBM50437003

CCc1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(CC4)S(C)(=O)=O)CC3)c2[nH]1

BDBM160722

CCc1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(3.85,-4.92,;3.08,-3.59,;1.54,-3.59,;.63,-4.82,;-.83,-4.33,;-2.17,-5.09,;-3.5,-4.31,;-3.49,-2.77,;-2.15,-2.01,;-2.36,-.49,;-3.85,-.09,;-1.31,.63,;.23,.5,;1.08,-.78,;.62,-2.24,;-.82,-2.8,;-1.71,2.12,;-3.19,2.52,;-3.59,4,;-2.5,5.09,;-1.02,4.69,;-.62,3.21,;-2.5,2.92,;-2.1,4.4,)|

BDBM50334445

CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:7.6,(47.4,-4.88,;48.37,-3.68,;47.82,-2.25,;48.85,-.5,;47.7,.54,;47.7,2.08,;46.36,2.85,;46.36,4.39,;45.02,5.15,;45.03,6.69,;46.36,7.46,;47.69,6.69,;47.69,5.16,;46.19,5.66,;46.5,6.3,;45.04,2.08,;43.69,2.87,;45.03,.54,;43.7,-.23,;43.7,-1.78,;45.04,-2.55,;46.36,-1.78,;46.36,-.23,)|

BDBM50334444

CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:7.6,(39.2,-5.65,;40.17,-4.46,;39.63,-3.02,;40.65,-1.27,;39.5,-.24,;39.5,1.31,;38.16,2.07,;38.16,3.61,;36.83,4.37,;36.83,5.92,;38.16,6.69,;39.49,5.91,;39.49,4.38,;37.99,4.89,;38.31,5.52,;36.84,1.31,;35.49,2.09,;36.84,-.24,;35.5,-1.01,;35.5,-2.55,;36.84,-3.32,;38.16,-2.55,;38.17,-1.01,)|

BDBM50007872

CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|

BDBM99930

CCn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:8.7,(3.2,-5.89,;1.71,-5.49,;1.31,-4.01,;2.22,-2.76,;1.31,-1.52,;1.74,.04,;.87,1.32,;-.67,1.43,;-1.06,2.92,;-2.55,3.32,;-2.95,4.8,;-1.86,5.89,;-.37,5.49,;.02,4.01,;-1.46,3.66,;-1.46,5.2,;-1.71,.3,;-3.2,.7,;-1.48,-1.22,;-2.82,-1.99,;-2.82,-3.53,;-1.48,-4.3,;-.15,-3.53,;-.15,-1.99,)|

BDBM25870

CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

BDBM77970

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12

BDBM50010859

CN(C)CCCN1c2ccccc2CCc2ccccc12

BDBM50001888

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12

BDBM50430241

CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O

BDBM50585908

CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1

BDBM35255

CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|

BDBM50548708

CN(C)CC\C=C\c1cccnc1

BDBM50421348

CN(C)CCc1coc2ccc(cc12)C(N)=O

BDBM81955

CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |r,wD:11.13,4.3,TLB:12:11:10.9:6.7,THB:3:4:10.9:6.7,(10.14,-.26,;8.8,-1.03,;8.8,-2.57,;7.26,-1.03,;6.17,.06,;3.35,1.23,;1.85,4.02,;3.18,4.79,;3.75,2.71,;-.09,1.02,;.68,-.31,;6.57,1.55,;8.11,1.55,;9.44,.78,;10.78,1.55,;10.78,3.09,;12.11,3.86,;9.44,3.86,;9.44,5.4,;8.11,3.09,)|

BDBM50020706

CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1

BDBM50220060

CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31

BDBM50304075

CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1

BDBM50426730

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C |(34.43,-4.19,;33.09,-3.43,;33.08,-1.89,;31.76,-4.21,;30.41,-3.47,;29.09,-4.27,;29.11,-5.81,;27.78,-6.61,;26.43,-5.86,;26.42,-4.32,;25.07,-3.58,;23.76,-4.37,;23.78,-5.92,;25.12,-6.66,;25.15,-8.2,;23.84,-8.99,;25.91,-9.52,;22.41,-3.63,;22.38,-2.09,;21.09,-4.42,;19.74,-3.68,;18.42,-4.48,;17.07,-3.73,;15.76,-4.53,;14.41,-3.78,;13.09,-4.58,;11.74,-3.83,;11.71,-2.29,;10.42,-4.63,;9.07,-3.88,;7.75,-4.68,;6.49,-3.8,;5.27,-4.73,;3.79,-4.3,;3.43,-2.8,;1.95,-2.37,;5.79,-6.18,;5.05,-7.53,;5.85,-8.84,;5.12,-10.19,;7.39,-8.8,;8.12,-7.45,;7.32,-6.15,;27.82,-8.15,;26.49,-8.95,;26.53,-10.49,;27.89,-11.24,;29.21,-10.45,;29.18,-8.89,;30.5,-8.1,;30.47,-6.57,;31.78,-5.76,;27.93,-12.78,;26.62,-13.59,;29.29,-13.51,)|

BDBM50363291

CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C)c2ccccc12 |r,TLB:35:34:29.30.31:33.26.27|

BDBM322424

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

BDBM92439

CN(C)c1ccnc2sc3c(SCc4ccc(Cl)cc4)ncnc3c12

BDBM50397299

CN(C)c1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1

BDBM50329756

CN(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:15.16,TLB:14:15:19.18:21.22,(4.16,-5.27,;3.39,-3.94,;4.15,-2.6,;1.85,-3.94,;.94,-2.69,;-.54,-3.17,;-1.87,-2.4,;-3.2,-3.17,;-3.2,-4.72,;-1.87,-5.49,;-.53,-4.72,;.94,-5.19,;-1.88,-.86,;-3.21,-.1,;-.54,-.09,;-.55,1.45,;-.74,2.83,;.73,3.48,;2.08,2.87,;2.35,1.47,;.99,2.11,;1.24,4.01,;.8,5.11,)|

BDBM92422

CN(C)c1ncnc2nc[nH]c12

BDBM221673

CN(C1CC2COCC(C1)N2)C(=O)c1cn(-c2cnsc2)c2ccccc12 |TLB:1:2:10:5.7.6|

BDBM221674

CN(C1CC2COCC(C1)N2C)C(=O)c1cn(-c2cnsc2)c2ccccc12 |TLB:1:2:10:5.7.6|

BDBM50388014

CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O

BDBM50388015

CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O

BDBM50388016

CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)C1=O

BDBM50321885

CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O

BDBM50413332

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1

BDBM50413330

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1

BDBM50413331

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1

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,)|

BDBM221613

CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncccc12 |THB:9:7:1:3.4|

BDBM221588

CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:9:7:1:3.4|

BDBM221589

CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12 |THB:9:7:1:3.4|

BDBM221533

CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221587

CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221603

CN1C2CCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221576

CN1C2CCC1CC(C2)NC(=O)c1nn(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM50007892

CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |TLB:9:7:1:3.4|

BDBM221586

CN1C2CCC1CC(C2)OC(=O)c1c(C)n(CC(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221530

CN1C2CCC1CC(C2)OC(=O)c1c(C)n(CCF)c2ccccc12 |THB:9:7:1:3.4|

BDBM221519

CN1C2CCC1CC(C2)OC(=O)c1c(C)n(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221558

CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CC(F)(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221557

CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CC(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221569

CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12 |THB:9:7:1:3.4|

BDBM221528

CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221597

CN1C2CCC1CC(C2)OC(=O)c1c2OCCCCn2c2ccccc12 |THB:9:7:1:3.4|

BDBM221598

CN1C2CCC1CC(C2)OC(=O)c1c2OCCCn2c2ccccc12 |THB:9:7:1:3.4|

BDBM221542

CN1C2CCC1CC(C2)OC(=O)c1c2OCCn2c2ccccc12 |THB:9:7:1:3.4|

BDBM50007871

CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|

BDBM50241143

CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|

BDBM221543

CN1C2CCC1CC(C2)OC(=O)c1cn(C2CCOC2)c2ccc(F)cc12 |THB:9:7:1:3.4|

BDBM221556

CN1C2CCC1CC(C2)OC(=O)c1cn(C2CCOC2)c2ccccc12 |THB:9:7:1:3.4|

BDBM88549

CN1C2CCC1CC(C2)OC(=O)c1cn(C2CCOC2)c2ncc(F)cc12 |THB:9:7:1:3.4|

BDBM221517

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 |THB:9:7:1:3.4|

BDBM107985

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccccc12 |THB:0:1:6.7.8:3.4,9:7:1:3.4|

BDBM221606

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221555

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12 |THB:9:7:1:3.4|

BDBM221541

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:9:7:1:3.4|

BDBM221554

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221585

CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12 |THB:9:7:1:3.4|

BDBM221570

CN1C2CCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 |THB:9:7:1:3.4|

BDBM221518

CN1C2CCC1CC(C2)OC(=O)c1cn([C@@H]2CCOC2)c2ccc(F)cc12 |r,THB:9:7:1:3.4|

BDBM221596

CN1C2CCC1CC(C2)OC(=O)c1cn([C@@H]2CCOC2)c2ccccc12 |r,THB:9:7:1:3.4|

BDBM221608

CN1C2CCC1CC(C2)OC(=O)c1cn([C@H]2CCOC2)c2ccc(F)cc12 |r,THB:9:7:1:3.4|

BDBM221607

CN1C2CCC1CC(C2)OC(=O)c1cn([C@H]2CCOC2)c2ccccc12 |r,THB:9:7:1:3.4|

BDBM221599

CN1C2CCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221540

CN1C2CCC1CC(C2)OC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4|

BDBM221532

CN1C2CCC1CC(C2)OC(=O)c1nn(CC(F)(F)F)c2ccccc12 |THB:9:7:1:3.4|

BDBM221571

CN1C2CCC1CC(C2)OC(=O)c1nn(CCF)c2ccccc12 |THB:9:7:1:3.4|

BDBM99941

CN1C2CCC1CC(C2)n1cc2[nH]n(C)c3cccc(c23)c1=O |THB:9:7:3.4:1|

BDBM99940

CN1C2CCCC1CC(C2)N1CCc2cn(C)c3cccc(C1=O)c23 |THB:0:1:3.4.5:7.8.9,10:8:3.4.5:1|

BDBM221609

CN1C2CCCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221590

CN1C2CCCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM143687

CN1C2CCCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM50000483

CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221523

CN1C2CCCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM50307829

CN1C2CCCC1CC(C2)NC(=O)c1nn(CCCNC(=O)C\[NH+]=C2\C=CC3=Cc4c(C)cc(C)n4[B-](F)(F)N23)c2ccccc12 |c:27,t:29|

BDBM221527

CN1C2CCCC1CC(C2)NC(=O)c1nn(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221560

CN1C2CCCC1CC(C2)NC(=O)c1nn(c2ccccc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM221601

CN1C2CCCC1CC(C2)OC(=O)c1c(C)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221544

CN1C2CCCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221602

CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221614

CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221574

CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221575

CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221600

CN1C2CCCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221548

CN1C2CCCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM221531

CN1C2CCCC1CC(C2)OC(=O)c1nn(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221520

CN1C2CCCC1CC(C2)OC(=O)c1nn(c2ccccc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM99927

CN1C2CCCC1CC(C2)n1cc2[nH]n(C)c3cccc(c23)c1=O |TLB:0:1:7.8.9:3.5.4,THB:10:8:1:3.5.4|

BDBM199544

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccc[n+]([O-])c2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221665

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199482

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccn2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM199094

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccn2)c2ccccc12 |THB:10:8:3.4.5:1|

BDBM199500

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccn2)c2ncc(F)cc12 |THB:10:8:1:3.4.5|

BDBM199485

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccn2)c2ncccc12 |THB:10:8:1:3.4.5|

BDBM199092

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnc2)c2ccccc12 |THB:10:8:3.4.5:1|

BDBM199501

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnc2)c2ncc(F)cc12 |THB:10:8:1:3.4.5|

BDBM199498

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnc2)c2ncccc12 |THB:10:8:1:3.4.5|

BDBM199520

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnc2C)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221624

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199513

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccn(C)n2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM199096

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccncc2)c2ccccc12 |THB:10:8:3.4.5:1|

BDBM199524

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccnn2C)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221678

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccnnc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221653

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccns2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221650

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccsn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199521

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnccc2C)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221633

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnccn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221651

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncn2C)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221627

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221626

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221659

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221649

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM199504

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM199527

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnn(c2)C(F)F)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221645

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnsc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221658

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cscn2)c2ncc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221648

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cscn2)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221617

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ncccn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221667

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ncco2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221625

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221657

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221647

CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221594

CN1C2COCC1CC(C2)NC(=O)c1cn(C(F)C(F)(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221654

CN1C2COCC1CC(C2)NC(=O)c1cn(CC#N)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221618

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(C)(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221549

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221524

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221538

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221521

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221577

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221622

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221582

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221578

CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221592

CN1C2COCC1CC(C2)NC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221537

CN1C2COCC1CC(C2)NC(=O)c1cn([C@@H](F)C(F)(F)F)c2ncccc12 |r,THB:10:8:1:3.5.4|

BDBM221584

CN1C2COCC1CC(C2)NC(=O)c1cn([C@H](F)C(F)(F)F)c2ncccc12 |r,THB:10:8:1:3.5.4|

BDBM221550

CN1C2COCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM98842

CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncc(F)cc12)C(F)(F)C(F)(F)F |THB:0:1:7.8.9:4.3.5,10:8:1:4.3.5|

BDBM221567

CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncc(F)cc12)C(F)(F)C(F)F |THB:10:8:1:3.5.4|

BDBM221583

CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncccc12)C(C)(C)C(F)(F)F |THB:10:8:1:3.5.4|

BDBM221593

CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncccc12)C(F)(F)C(F)F |THB:10:8:1:3.5.4|

BDBM299216

CN1C2COCC1CC(C2)NC(=O)c1nn(-c2ccccn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199503

CN1C2COCC1CC(C2)NC(=O)c1nn(-c2ccccn2)c2ncccc12 |THB:10:8:1:3.4.5|

BDBM111059

CN1C2COCC1CC(C2)NC(=O)c1nn(-c2cncs2)c2ccc(F)cc12 |THB:0:1:7.8.9:4.3.5,10:8:1:4.3.5|

BDBM221660

CN1C2COCC1CC(C2)NC(=O)c1nn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221630

CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)(F)F)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221535

CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221580

CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM98795

CN1C2COCC1CC(C2)OC(=O)c1c(Cl)n(CC(F)F)c2ccccc12 |THB:0:1:7.8.9:4.3.5,10:8:1:4.3.5|

BDBM221656

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(F)nn2)c2ccc(cc12)C#N |THB:10:8:1:3.5.4|

BDBM221641

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(F)nn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221662

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(O)nn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199110

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccccn2)c2ccccc12 |THB:10:8:3.4.5:1|

BDBM299207

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cccnc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199519

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccnc(c2)C#N)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221670

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccsn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199539

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cn[nH]c2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM221672

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnc(F)cn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221669

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnccn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221677

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221671

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM199518

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnn(C)c2)c2ccccc12 |THB:10:8:1:3.4.5|

BDBM299220

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnn(CCF)c2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221676

CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ncccn2)c2ccccc12 |THB:10:8:1:3.5.4|

BDBM221643

CN1C2COCC1CC(C2)OC(=O)c1cn(CC#N)c2c(F)nccc12 |THB:10:8:1:3.5.4|

BDBM221546

CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221563

CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221572

CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4|

BDBM221562

CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221655

CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ccc(cc12)C#N |THB:10:8:1:3.5.4|

BDBM98817

CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 |THB:0:1:7.8.9:4.3.5,10:8:1:4.3.5|

BDBM221565

CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ncccc12 |THB:10:8:1:3.5.4|

BDBM221610

CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM221561

CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:10:8:1:3.5.4|

BDBM50280055

CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

BDBM50005548

CN1CC(c2ccccc2)c2cccc(N)c2C1

BDBM84994

CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21

BDBM99923

CN1CC2CCCC1CC(C2)N1Cc2cn(C)c3cccc(C1=O)c23 |TLB:0:1:6.4.5:10.8.9,THB:11:9:1.2:6.4.5|

BDBM91603

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

BDBM50419048

CN1CCC(CC1)=Cc1nc2ccc(Cl)cc2[nH]1 |(32.19,-17.45,;31.42,-18.78,;32.19,-20.12,;31.43,-21.45,;29.89,-21.45,;29.11,-20.13,;29.88,-18.79,;29.13,-22.78,;27.59,-22.79,;26.69,-24.05,;25.22,-23.58,;23.88,-24.36,;22.54,-23.59,;22.55,-22.04,;21.21,-21.27,;23.87,-21.27,;25.21,-22.04,;26.67,-21.55,)|

BDBM50035398

CN1CCC[C@H]1c1cc(C)no1 |r|

BDBM50001884

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|

BDBM82479

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

BDBM22869

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

BDBM50397284

CN1CCN(CC1)c1cc(N)c2ccccc2n1

BDBM26390

CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1

BDBM50397282

CN1CCN(CC1)c1cc2ccccc2c(N)n1

BDBM50397288

CN1CCN(CC1)c1cc2ccccc2cn1

BDBM50397281

CN1CCN(CC1)c1ccc2c(N)cccc2n1

BDBM50419046

CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1

BDBM50397280

CN1CCN(CC1)c1ccc2cccc(N)c2n1

BDBM50397286

CN1CCN(CC1)c1ccc2ccccc2c1

BDBM50053631

CN1CCN(CC1)c1ccc2ccccc2n1

BDBM50400907

CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C

BDBM50397287

CN1CCN(CC1)c1cnc2ccccc2c1

BDBM50060682

CN1CCN(CC1)c1cnc2ccccc2n1

BDBM50397300

CN1CCN(CC1)c1nc(N)c2cc(Cl)ccc2n1

BDBM50397290

CN1CCN(CC1)c1nc(N)c2ccccc2n1

BDBM50397297

CN1CCN(CC1)c1nc(NCC2CCCCC2)c2cc(Cl)ccc2n1

BDBM50397293

CN1CCN(CC1)c1nc(NCCO)c2cc(Cl)ccc2n1

BDBM50397295

CN1CCN(CC1)c1nc(NCCc2ccccc2)c2cc(Cl)ccc2n1

BDBM50397294

CN1CCN(CC1)c1nc(NCc2ccc(N)cc2)c2cc(Cl)ccc2n1

BDBM50397296

CN1CCN(CC1)c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1

BDBM50397292

CN1CCN(CC1)c1nc(NCc2ccoc2)c2cc(Cl)ccc2n1

BDBM50060688

CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50081973

CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12

BDBM81497

CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F

BDBM50397301

CN1CCN(CC1)c1nc2ccc(Cl)cc2c(=O)[nH]1

BDBM50081969

CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12

BDBM50060685

CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12

BDBM50419047

CN1CCN(CC1)c1nc2ccccc2[nH]c1=O

BDBM81956

CN1CCN(CC1)c1nc2ccccc2c(=O)[nH]1

BDBM50379019

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)OC(C)(C)C)c1C

BDBM50379008

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50379012

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C

BDBM50379013

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)NCC(O)=O)c1C

BDBM50379018

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)OC(C)(C)C)c1C

BDBM50379007

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50166984

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C

BDBM50379017

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)OC(C)(C)C)c1C

BDBM50379006

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50379011

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)c1C

BDBM50379014

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)NCC(O)=O)c1C

BDBM50379020

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)c1C

BDBM50379005

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50379015

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C

BDBM50379021

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C

BDBM50379009

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50379016

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C

BDBM50379022

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C

BDBM50379010

CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C

BDBM50060686

CN1CCN(CC1)c1nc2ccccc2n2cccc12

BDBM50459886

CN1CCN(CC1)c1nc2ccccc2nc1Cl

BDBM294361

CN1CCN(CC1)c1nc2ncc(Cl)cc2n2cnnc12

BDBM50081970

CN1CCN(CC1)c1nc2ncccc2n2cccc12

BDBM50397302

CN1CCN(CC1)c1ncc2cc(Cl)ccc2n1

BDBM50397291

CN1CCN(CC1)c1ncc2ccccc2n1

BDBM50222218

CN1CCN2C(C1)c1ccccc1Cc1ccccc21

BDBM50115644

CN1CCN2C(C1)c1ccccc1Cc1cccnc21

BDBM50094968

CN1CCN=C1Cc1cccnc1 |c:4|

BDBM85099

CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|

BDBM50445614

CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13

BDBM50445616

CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13

BDBM50445615

CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13

BDBM82247

CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|

BDBM50001955

CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|

BDBM50278956

CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|

BDBM50247983

CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|

BDBM50329737

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccc(Cl)cc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329736

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccc(F)cc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329735

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccccc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329733

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(Cl)cc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329732

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(F)cc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329731

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccccc1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329728

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329750

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCNCC1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329722

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOCC1 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50329745

CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C |r,TLB:0:1:3.4.5:7.8.9|

BDBM50304334

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|

BDBM50443668

CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12

BDBM50307824

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(O)cccc12 |r|

BDBM50363296

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCCOCCOCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(27.71,-22.83,;26.88,-24.13,;26.59,-25.6,;26.61,-27.43,;25.1,-27.71,;25.89,-26.66,;25.84,-24.9,;24.15,-24.84,;23.86,-26.31,;24.81,-25.56,;23.39,-27.77,;21.88,-28.09,;20.85,-26.95,;21.4,-29.56,;22.32,-30.81,;21.4,-32.07,;21.88,-33.53,;19.93,-31.59,;18.6,-32.36,;18.6,-33.9,;19.93,-34.67,;19.93,-36.21,;21.26,-36.98,;22.6,-36.21,;23.93,-36.98,;25.27,-36.21,;26.6,-36.98,;27.93,-36.21,;29.27,-36.98,;30.6,-36.21,;30.63,-34.67,;31.93,-36.99,;33.27,-36.24,;34.58,-37.02,;35.93,-36.27,;35.94,-34.73,;34.61,-33.94,;33.27,-34.7,;34.62,-32.4,;33.29,-31.62,;35.02,-30.91,;37.28,-33.97,;37.29,-32.44,;35.96,-31.64,;35.99,-30.11,;37.34,-29.36,;37.37,-27.82,;38.66,-30.15,;38.64,-31.69,;39.96,-32.47,;39.94,-34.01,;41.26,-34.78,;41.23,-36.32,;42.56,-37.11,;39.9,-37.07,;38.58,-36.28,;38.6,-34.76,;17.26,-31.59,;17.26,-30.05,;18.59,-29.27,;19.93,-30.04,)|

BDBM50307826

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCc3ccccc3)cccc12 |r|

BDBM50307821

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cc(O)ccc12 |r|

BDBM50307823

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cc(OCc3ccccc3)ccc12 |r|

BDBM50307818

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(O)cc12 |r|

BDBM50307820

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(OCc3ccccc3)cc12 |r|

BDBM50307815

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12 |r|

BDBM50307817

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(OCc3ccccc3)c12 |r|

BDBM50363292

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCC(=O)OCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)c2ccccc12 |r,c:27,30,33,TLB:0:1:3.4.5:7.8.9|

BDBM50363287

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c2ccccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(1.85,-18.97,;1.02,-20.27,;.73,-21.74,;.75,-23.57,;-.77,-23.85,;.03,-22.8,;-.02,-21.04,;-1.71,-20.98,;-2,-22.45,;-1.05,-21.7,;-2.48,-23.91,;-3.98,-24.23,;-5.02,-23.09,;-4.46,-25.7,;-3.55,-26.95,;-4.46,-28.21,;-3.69,-29.54,;-2.15,-29.54,;-1.38,-30.88,;.16,-30.88,;.93,-32.21,;2.46,-32.22,;3.19,-30.86,;3.28,-33.53,;2.55,-34.89,;1.02,-34.94,;.29,-36.29,;1.11,-37.6,;2.65,-37.55,;3.37,-36.19,;3.47,-38.85,;5.01,-38.79,;3.93,-40.31,;.39,-38.96,;1.21,-40.26,;2.74,-40.21,;3.55,-41.53,;2.81,-42.89,;3.62,-44.2,;1.27,-42.92,;.47,-41.62,;-1.07,-41.67,;-1.88,-40.36,;-3.4,-40.41,;-4.2,-39.1,;-5.74,-39.14,;-3.48,-37.76,;-1.95,-37.72,;-1.15,-39.02,;-5.94,-27.73,;-7.27,-28.5,;-8.6,-27.73,;-8.6,-26.19,;-7.27,-25.41,;-5.94,-26.18,)|

BDBM50307828

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCN)c2ccccc12 |r|

BDBM50363285

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c2ccccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(1.46,5.41,;.63,4.1,;.34,2.63,;.36,.8,;-1.15,.53,;-.36,1.57,;-.41,3.34,;-2.1,3.39,;-2.39,1.93,;-1.44,2.67,;-2.87,.46,;-4.37,.14,;-5.4,1.28,;-4.85,-1.33,;-3.94,-2.58,;-4.85,-3.84,;-4.08,-5.17,;-2.54,-5.17,;-1.77,-6.51,;-.23,-6.51,;.54,-5.17,;-.23,-3.84,;2.08,-5.17,;2.85,-6.51,;2.08,-7.84,;2.85,-9.17,;4.39,-9.18,;5.16,-7.83,;4.39,-6.5,;6.7,-7.83,;7.47,-6.49,;8.19,-8.22,;5.16,-10.5,;6.7,-10.5,;7.47,-9.17,;9.02,-9.18,;9.78,-10.52,;11.32,-10.54,;8.99,-11.85,;7.46,-11.84,;6.69,-13.17,;5.15,-13.17,;4.39,-14.49,;2.85,-14.48,;2.07,-15.8,;2.1,-13.14,;2.87,-11.83,;4.4,-11.84,;-6.32,-3.36,;-7.66,-4.13,;-8.99,-3.36,;-8.99,-1.81,;-7.66,-1.04,;-6.32,-1.81,)|

BDBM50363290

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCNc2ccc([N+]([O-])=O)c3nonc23)c2ccccc12 |r,TLB:0:1:3.4.5:7.8.9|

BDBM50363289

CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCOCCOCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c2ccccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(26.42,5.72,;25.59,4.42,;25.3,2.95,;25.32,1.12,;23.81,.85,;24.6,1.89,;24.56,3.65,;22.86,3.71,;22.57,2.24,;23.53,2.99,;22.1,.78,;20.59,.46,;19.56,1.6,;20.11,-1.01,;21.03,-2.26,;20.11,-3.52,;20.88,-4.85,;22.42,-4.85,;23.2,-3.52,;24.74,-3.52,;25.51,-4.85,;27.05,-4.85,;27.82,-3.52,;29.36,-3.52,;30.13,-4.86,;31.67,-4.85,;32.4,-3.49,;32.49,-6.16,;31.77,-7.52,;30.23,-7.57,;29.5,-8.92,;30.32,-10.23,;31.86,-10.18,;32.58,-8.82,;32.68,-11.48,;34.22,-11.42,;33.14,-12.94,;29.6,-11.59,;30.42,-12.89,;31.95,-12.84,;32.76,-14.16,;32.02,-15.52,;32.83,-16.83,;30.49,-15.55,;29.68,-14.25,;28.14,-14.3,;27.33,-12.99,;25.81,-13.04,;25.01,-11.73,;23.47,-11.77,;25.73,-10.39,;27.26,-10.35,;28.06,-11.65,;18.64,-3.04,;17.3,-3.81,;15.97,-3.04,;15.97,-1.49,;17.3,-.72,;18.64,-1.49,)|

BDBM50108392

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|

BDBM82561

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r|

BDBM91636

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)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|

BDBM91627

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

BDBM91625

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

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|

BDBM91624

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

BDBM91637

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

BDBM91629

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |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|

BDBM91630

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

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|

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|

BDBM91626

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |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|

BDBM233393

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccc[n+]([O-])c2)c2ccccc12

BDBM233365

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ccccc12

BDBM233374

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ncc(F)cc12

BDBM233372

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ncccc12

BDBM233364

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ccccc12

BDBM233375

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ncc(F)cc12

BDBM233373

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ncccc12

BDBM233382

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2C)c2ccccc12

BDBM233379

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccn(C)n2)c2ccccc12

BDBM233366

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccncc2)c2ccccc12

BDBM233385

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccnn2C)c2ccccc12

BDBM233383

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnccc2C)c2ccccc12

BDBM233377

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12

BDBM233386

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(c2)C(F)F)c2ccccc12

BDBM233376

CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1nn(-c2ccccn2)c2ccccc12

BDBM233369

CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2ccccn2)c2ccccc12

BDBM233390

CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cn[nH]c2)c2ccccc12

BDBM233387

CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cnn(C)c2)c2ccccc12

BDBM233380

CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cnn(CCF)c2)c2ccccc12

BDBM50130276

CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12

BDBM50010588

CNC(C)Cc1ccc2OCOc2c1

BDBM50009057

CNC(C)Cc1ccccc1

BDBM294373

CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12

BDBM294407

CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12

BDBM294368

CNC1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12

BDBM294415

CNC1CN(C1)c1nc2ncc(Cl)cc2n2nnnc12

BDBM294385

CNC1CN(C1)c1nc2ncc(I)cc2n2cnnc12

BDBM294374

CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)[N+]#[C-]

BDBM30130

CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1

BDBM50022784

CNCCC(Oc1ccccc1C)c1ccccc1

BDBM35229

CNCCCN1c2ccccc2CCc2ccccc12

BDBM50136166

CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|

BDBM81875

CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1

BDBM50204672

CNCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50005835

CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

BDBM85332

CN[C@@H](C)Cc1ccc2OCOc2c1 |r|

BDBM50005120

CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C

BDBM50397285

CNc1cc(nc2ccccc12)N1CCN(C)CC1

BDBM50301542

CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1

BDBM50456733

CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|

BDBM50397303

CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12

BDBM50397283

CNc1nc(cc2ccccc12)N1CCN(C)CC1

BDBM50397306

CNc1nc(nc2ccc(Cl)cc12)N1CC(C1)N(C)C

BDBM50397304

CNc1nc(nc2ccc(Cl)cc12)N1CC2CCCNC2C1

BDBM50397308

CNc1nc(nc2ccc(Cl)cc12)N1CCCN(C)CC1

BDBM50397307

CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1

BDBM50397305

CNc1nc(nc2ccc(Cl)cc12)N1CC[C@H](N)C1 |r|

BDBM50397289

CNc1nc(nc2ccccc12)N1CCN(C)CC1

BDBM50329758

CNc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(2.65,-3.98,;1.89,-5.31,;.35,-5.32,;-.56,-4.06,;-2.04,-4.54,;-3.37,-3.78,;-4.7,-4.55,;-4.7,-6.09,;-3.37,-6.87,;-2.04,-6.09,;-.56,-6.57,;-3.38,-2.24,;-4.71,-1.47,;-2.04,-1.47,;-2.05,.07,;-2.24,1.45,;-.78,2.1,;.58,1.49,;.85,.09,;-.52,.73,;-.26,2.63,;-.71,3.74,)|

BDBM92434

CNc1ncnc2sc(C)c(C)c12

BDBM50206578

COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1

BDBM50483172

COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50436992

COC(=O)N(C)CC(O)CN1CCC(CNC(=O)c2cccc3nc([nH]c23)C(C)C)CC1

BDBM50436989

COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1

BDBM50436995

COC(=O)N1CCN(CCN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1

BDBM50159165

COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|

BDBM50456724

COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|

BDBM50050098

COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1

BDBM50013515

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

BDBM50194925

COC(=O)c1c(c(c(N2CCNCC2)n1C)-c1ccncc1)-c1ccc(F)cc1

BDBM50005836

COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC

BDBM50301927

COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC

BDBM50108654

COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1

BDBM50108653

COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1

BDBM50108659

COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12

BDBM50278560

COCC(Oc1ccc2ccccc2c1)C1CCNCC1

BDBM50122872

COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12

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,)|

BDBM322446

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

BDBM50388686

CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301928

CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301925

CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301924

CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301923

CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301930

CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301929

CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301922

CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301921

CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50017712

CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM322439

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

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,)|

BDBM322438

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

BDBM322444

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

BDBM50288283

COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)|

BDBM50288285

COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.13,(16.29,-14.6,;16.29,-13.05,;14.96,-12.28,;13.61,-13.05,;13.61,-14.67,;12.28,-12.28,;12.28,-10.73,;10.87,-9.92,;13.61,-9.96,;14.96,-10.73,;16.29,-9.96,;16.29,-8.41,;17.64,-10.73,;18.97,-9.96,;20.29,-10.73,;21.62,-9.97,;21.63,-8.44,;20.3,-7.66,;18.95,-8.42,;19.71,-9.75,;21.04,-8.99,)|

BDBM50267554

COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1

BDBM50267508

COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1

BDBM50267556

COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50267510

COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1

BDBM50232152

COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1

BDBM50267509

COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50267507

COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|

BDBM322509

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

BDBM50257636

COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I

BDBM50400900

COc1cc(C)ccc1Sc1ccccc1N1CCNCC1

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|

BDBM82273

COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1

BDBM84951

COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1

BDBM50155152

COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2 |TLB:12:13:17:20.19.21,22:20:13.14.15:17,THB:21:20:13:16.15.17,21:16:13:20.19.22,22:14:17:20.19.21,(8.67,-11.69,;8.67,-10.15,;7.33,-9.38,;5.99,-10.15,;4.66,-9.38,;3.32,-10.15,;4.66,-7.83,;3.33,-7.06,;5.99,-7.05,;7.33,-7.82,;8.66,-7.05,;8.66,-5.5,;10.01,-7.81,;11.34,-7.04,;12.54,-5.76,;13.85,-6.25,;15.25,-5.9,;14.24,-7.18,;12.84,-6.62,;12.82,-5.01,;13.87,-3.79,;15.27,-4.37,;12.52,-4.26,)|

BDBM50289986

COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|

BDBM50212465

COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|

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,)|

BDBM50301920

COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 |r|

BDBM50301919

COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|

BDBM50005833

COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12

BDBM50181836

COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|

BDBM50056419

COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|

BDBM50449570

COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|

BDBM50031475

COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|

BDBM50056415

COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1

BDBM50288284

COc1cc(N)c(I)cc1C(=O)NC1CN2CCC1CC2 |(16.09,-14.57,;16.09,-13.02,;14.76,-12.26,;13.41,-13.02,;12.08,-12.26,;10.74,-13.02,;12.08,-10.71,;10.74,-9.94,;13.41,-9.94,;14.76,-10.71,;16.09,-9.94,;16.09,-8.4,;17.42,-10.71,;18.74,-9.94,;20.07,-10.71,;21.39,-9.95,;21.42,-8.42,;20.08,-7.64,;18.74,-8.41,;19.5,-9.73,;20.82,-8.97,)|

BDBM50052180

COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1

BDBM264253

COc1cc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc(OC)c1OC |r,wU:21.22,(10.34,.06,;9.55,-1.31,;8.01,-1.31,;7.24,.02,;5.7,.02,;4.93,1.36,;3.39,1.36,;2.62,.02,;2.62,2.69,;1.08,2.69,;.31,4.02,;-1.23,4.02,;-2,2.69,;-3.51,2.37,;-3.67,.84,;-2.27,.21,;-1.23,1.36,;.31,1.36,;-5.01,.07,;-5.01,-1.47,;-6.34,.84,;-7.67,.07,;-7.67,-1.47,;-9.01,-2.24,;-10.34,-1.47,;-10.34,.07,;-9.01,.84,;-8.24,-.5,;-9.72,-.9,;4.93,-1.31,;5.7,-2.65,;4.9,-4.02,;3.31,-4.02,;7.24,-2.65,;8.03,-4.02,;9.62,-4.02,)|

BDBM50212239

COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1

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,)|

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,)|

BDBM601697

COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F

BDBM50034043

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

BDBM50014554

COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)|

BDBM50132341

COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23

BDBM50160160

COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23

BDBM50000690

COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4 |r|

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,)|

BDBM50401674

COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC

BDBM322418

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

BDBM50255827

COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18|

BDBM50596936

COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1

BDBM91628

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

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|

BDBM50267557

COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1

BDBM50267555

COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1

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|

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|

BDBM50464234

COc1ccc(Cl)cc1OC1CN(C1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1

BDBM50295828

COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1

BDBM50103070

COc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1

BDBM79215

COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1

BDBM50014247

COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1

BDBM50400888

COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1

BDBM50400901

COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1

BDBM50400904

COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1

BDBM50400883

COc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50400894

COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC

BDBM50420611

COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50420604

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50420609

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1

BDBM50399293

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1

BDBM50420610

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1

BDBM50420608

COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1

BDBM50399289

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1

BDBM50399290

COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1

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,)|

BDBM50573241

COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1

BDBM50573245

COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1

BDBM50329734

COc1ccc(cc1)-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329738

COc1ccc(cc1)-c1nc2cccc(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)c2o1 |r,TLB:27:26:21.22.23:25.18.19|

BDBM99925

COc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:13.13,(3.61,-8.03,;2.12,-7.63,;1.72,-6.15,;.23,-5.75,;-.17,-4.26,;.92,-3.17,;2.41,-3.57,;2.81,-5.06,;.53,-1.68,;1.42,-.29,;.39,1.1,;.39,2.64,;-.94,3.41,;-.94,4.95,;-2.27,5.72,;-2.27,7.26,;-.94,8.03,;.39,7.26,;.39,5.72,;-1.2,5.72,;-.43,7,;-2.27,2.64,;-3.61,3.41,;-2.27,1.1,;-3.61,.33,;-3.61,-1.21,;-2.27,-1.98,;-.94,-1.21,;-.94,.33,)|

BDBM50295824

COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM82071

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

BDBM50363283

COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(C)n1[B-]2(F)F |r,c:12,14,t:9,TLB:49:48:43.44.45:47.40.41|

BDBM50599906

COc1ccc(cc1)N1CCN(CCCN2CCN(CC2)C(=O)c2ccccc2)CC1

BDBM50599902

COc1ccc(cc1)N1CCN(CCCN2CCN(CC2)c2ncccc2C#N)CC1

BDBM50001913

COc1ccc(cc1)N1CCNCC1

BDBM50044849

COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

BDBM50398711

COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12

BDBM50398713

COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12

BDBM85805

COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1

BDBM50413523

COc1ccc2[nH]c(=O)n(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c2c1 |r,TLB:12:13:20:16.17|

BDBM50171236

COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|

BDBM50014946

COc1ccc2[nH]c(C)c(CCN)c2c1

BDBM50435344

COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

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,)|

BDBM410138

COc1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1Cl |r,wD: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,)|

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,)|

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,)|

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,)|

BDBM50307822

COc1ccc2c(nn(C)c2c1)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C |r|

BDBM322302

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

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,)|

BDBM322391

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

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,)|

BDBM322392

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

BDBM50307819

COc1ccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c2c1 |r|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM322304

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

BDBM50232153

COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC

BDBM50122411

COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|

BDBM50295827

COc1cccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)c1

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,)|

BDBM50400898

COc1cccc(Sc2ccccc2N2CCNCC2)c1

BDBM50400891

COc1cccc(Sc2ccccc2N2CCNCC2)c1OC

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,)|

BDBM50573240

COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1

BDBM50573244

COc1cccc(c1)-c1n[nH]cc1N1CCNCC1

BDBM50301926

COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50301918

COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|

BDBM50307825

COc1cccc2c(nn(C)c12)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C |r|

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,)|

BDBM322402

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

BDBM50025469

COc1cccc2ccc(nc12)N1CCN(C)CC1

BDBM50025465

COc1cccc2ccc(nc12)N1CCNCC1

BDBM50307816

COc1cccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c12 |r|

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,)|

BDBM50582607

COc1ccccc1-c1cc(CCN(C)C)ccc1Cl

BDBM50204678

COc1ccccc1-c1cc(CN(C)C)ccc1Cl

BDBM50420605

COc1ccccc1-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50582611

COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1

BDBM50582610

COc1ccccc1-c1cc(ccc1Cl)C1CCNC1

BDBM50319675

COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319681

COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

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,)|

BDBM50014156

COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1

BDBM50573239

COc1ccccc1-c1n[nH]cc1N1CCCNCC1

BDBM50573243

COc1ccccc1-c1n[nH]cc1N1CCNCC1

BDBM50329726

COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329725

COc1ccccc1-c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:20.22,TLB:19:20:24.23:26.27,(3.15,-.28,;2.38,-1.62,;3.16,-2.95,;4.69,-2.94,;5.47,-4.28,;4.7,-5.62,;3.16,-5.62,;2.39,-4.28,;.85,-4.28,;-.06,-3.03,;-1.53,-3.51,;-2.87,-2.74,;-4.19,-3.52,;-4.2,-5.06,;-2.86,-5.83,;-1.53,-5.06,;-.06,-5.54,;-2.87,-1.2,;-4.21,-.44,;-1.54,-.43,;-1.54,1.11,;-1.74,2.49,;-.27,3.14,;1.08,2.53,;1.36,1.13,;-.01,1.77,;.25,3.66,;-.2,4.77,)|

BDBM50271706

COc1ccccc1CNCCc1cc(OC)c(I)cc1OC

BDBM50295826

COc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM50079939

COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1

BDBM50440737

COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1

BDBM50102338

COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1

BDBM50102359

COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1

BDBM50102346

COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1

BDBM50058214

COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1

BDBM50058069

COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1

BDBM82517

COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1

BDBM50007170

COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|

BDBM86757

COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1

BDBM86708

COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1

BDBM50026917

COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1

BDBM50599912

COc1ccccc1N1CCN(CCN2CCN(CC2)C(=O)c2nn(C)c3ccccc23)CC1

BDBM50599910

COc1ccccc1N1CCN(CCN2CCN(CC2)c2ncccc2C#N)CC1

BDBM50488600

COc1ccccc1N1CCN(CCc2ccc3[nH]nnc3c2)CC1

BDBM82369

COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r|

BDBM50001862

COc1ccccc1N1CCNCC1

BDBM50400896

COc1ccccc1Sc1ccccc1N1CCNCC1

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,)|

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,)|

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,)|

BDBM50437004

CS(=O)(=O)N1CCN(CC(O)CN2CCC(CC2)NC(=O)c2cccc3nc[nH]c23)CC1

BDBM50436998

CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc([nH]c34)-c3ccccc3)CC2)CC1

BDBM50437001

CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C3CC3)CC2)CC1

BDBM50437006

CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc[nH]c34)CC2)CC1

BDBM50437005

CS(=O)(=O)N1CCN(CC(O)CN2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cccc3nc[nH]c23)CC1 |r,THB:11:12:17.19.18:15.14|

BDBM50258458

CS(=O)(=O)NC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM410118

CS(=O)(=O)c1cc(F)c2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:11.10,TLB:10:11:14.15:17.18,(2,.61,;2.54,-.83,;3.08,-2.28,;3.98,-.29,;1.09,-1.38,;-.1,-.4,;-1.54,-.94,;-2.73,.04,;-1.79,-2.46,;-3.09,-3.28,;-4.52,-2.72,;-5.73,-3.68,;-5.44,-5.1,;-6.84,-4.46,;-6.58,-2.52,;-7.03,-1.39,;-7.11,-3.06,;-8.61,-3.72,;-8.41,-5.13,;-2.86,-4.81,;-1.41,-4.89,;-.6,-3.43,;.84,-2.89,)|

BDBM410117

CS(=O)(=O)c1cc(F)c2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:11.10,TLB:10:11:14.15:17.18,(1.71,.33,;2.25,-1.12,;2.79,-2.56,;3.69,-.57,;.81,-1.66,;-.38,-.68,;-1.83,-1.22,;-3.01,-.24,;-2.08,-2.74,;-3.38,-3.57,;-4.81,-3,;-6.01,-3.96,;-5.73,-5.39,;-7.13,-4.74,;-6.87,-2.8,;-7.32,-1.67,;-7.39,-3.34,;-8.89,-4,;-8.69,-5.41,;-3.15,-5.09,;-1.7,-5.18,;-.89,-3.72,;.55,-3.18,)|

BDBM225230

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

BDBM221591

CS(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3)c2cc(F)ccc12 |TLB:9:10:18:13.15.14|

BDBM221551

CS(=O)(=O)n1cc(C(=O)OC23CCN(CC2)CC3)c2cc(F)ccc12

BDBM221534

CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12 |TLB:9:10:18:13.15.14|

BDBM221636

CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:9:10:18:13.15.14|

CSCCC(N)C(O)=O

CSc1ncnc2nc[nH]c12

CSc1ncnc2sc(C)cc12

C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

BDBM50365250

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C |r|

BDBM50365253

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(C)nc1C |r|

BDBM50365260

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ccccn1 |r|

BDBM50365261

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ncccc1C |r|

BDBM50350021

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|

BDBM50350023

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|

BDBM50365258

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2cccc(C)n2)c(=O)c1 |r|

BDBM50363325

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r|

BDBM50365259

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1 |r|

BDBM50365246

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(C)c(=O)c1 |r|

BDBM50158610

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1

BDBM50383117

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|

BDBM50329753

C[C@@H]1CNC[C@@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329740

C[C@@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20|

BDBM50371998

C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|

BDBM50217942

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM84978

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

BDBM50335603

C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|

BDBM50456741

C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|

BDBM50456729

C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|

BDBM50456736

C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|

BDBM50456731

C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|

BDBM50456745

C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|

BDBM50456730

C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|

BDBM50456738

C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|

BDBM50456722

C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|

BDBM50456735

C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|

BDBM50456734

C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|

BDBM50335601

C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|

BDBM50335602

C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|

BDBM50413524

C[C@@]12CCCN1CC[C@H]2CNC(=O)c1cc(Cl)cc2nc[nH]c12 |r|

BDBM15579

C[C@H](Cc1ccccc1)N(C)CC#C |r|

BDBM50133232

C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12

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,)|

BDBM50365255

C[C@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r|

BDBM50329749

C[C@H]1CN(C[C@@H](C)O1)c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329751

C[C@H]1CNCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20|

BDBM50329752

C[C@H]1CNC[C@@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329724

C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329739

C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20|

BDBM50329746

C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|

BDBM50329747

C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wU:1.0,wD:20.22,5.5,TLB:19:20:24.23:26.27,(46.08,-23.8,;46.85,-25.13,;48.39,-25.12,;49.17,-26.46,;48.39,-27.8,;46.86,-27.8,;46.08,-29.13,;46.09,-26.46,;44.55,-26.46,;43.64,-25.21,;42.16,-25.69,;40.83,-24.93,;39.5,-25.7,;39.5,-27.24,;40.83,-28.01,;42.17,-27.24,;43.64,-27.72,;40.82,-23.39,;39.49,-22.62,;42.16,-22.61,;42.15,-21.07,;41.96,-19.69,;43.43,-19.05,;44.78,-19.65,;45.05,-21.05,;43.69,-20.41,;43.94,-18.52,;43.5,-17.41,)|

BDBM50318666

C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|

BDBM50456726

C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|

BDBM50456743

C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|

BDBM50001031

C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|

BDBM91606

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

BDBM50220046

C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31

BDBM50220045

C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31

BDBM50220041

C[N+](C)(Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc31)Cc1ccc(cc1)[N+]([O-])=O

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|

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|

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|

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|

BDBM91614

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

BDBM91618

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)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|

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|

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|

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|

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|

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|

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|

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|

BDBM50388007

C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C

BDBM50388008

C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C

BDBM50388009

C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C

BDBM50388018

C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C

BDBM50387977

C\N=C1/NC(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C

BDBM50171235

Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|

BDBM50014406

Cc1[nH]c2ccc(O)cc2c1CCN

BDBM50014558

Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C

BDBM50330475

Cc1c(C)c2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1

BDBM322452

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

BDBM92440

Cc1cc(C)c2c(n1)sc1c(SCc3ccccc3)nc(C)nc21

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|

BDBM84991

Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1

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,)|

BDBM50333880

Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O

BDBM50465935

Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|

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|

BDBM50330453

Cc1cc(nc2ccccc12)N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1

BDBM160716

Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.26,-5.15,;-1.99,-4.28,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)|

BDBM50014553

Cc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(32.02,-14.44,;33.35,-13.67,;33.36,-12.13,;34.68,-11.36,;34.44,-9.83,;32.97,-9.38,;35.5,-8.68,;37.04,-8.8,;37.91,-10.07,;37.47,-11.55,;38.4,-12.89,;37.49,-14.15,;36.02,-13.67,;34.69,-14.44,;36.02,-12.12,;34.94,-7.25,;33.41,-7.03,;32.85,-5.59,;33.81,-4.38,;35.33,-4.62,;35.89,-6.05,;34.94,-5.01,;34.17,-6.35,)|

BDBM92430

Cc1cc2c(NCc3ccccc3)ncnc2s1

BDBM322327

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

BDBM50330442

Cc1cc2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1

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,)|

BDBM50103075

Cc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1

BDBM21280

Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|

BDBM50416396

Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1

BDBM50400905

Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1

BDBM50400908

Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1

BDBM50400909

Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1

BDBM50400910

Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1

BDBM50400885

Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1

BDBM50400887

Cc1ccc(Sc2ccc(Cl)cc2)c(c1)N1CCNCC1

BDBM50400886

Cc1ccc(Sc2ccc(F)cc2)c(c1)N1CCNCC1

BDBM50400911

Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1

BDBM50400877

Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1

BDBM50400906

Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1

BDBM50400902

Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

BDBM50400899

Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1

BDBM50400880

Cc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50400892

Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C

BDBM50458558

Cc1ccc(cc1)-c1n[nH]c2CCNCCc12

BDBM50573234

Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1

BDBM50573253

Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1

BDBM50458557

Cc1ccc(cc1)-c1noc2CCNCCc12

BDBM31046

Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM322292

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

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,)|

BDBM322445

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

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,)|

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,)|

BDBM322443

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

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,)|

BDBM322393

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

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,)|

BDBM322342

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

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,)|

BDBM50330463

Cc1ccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM322294

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

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,)|

BDBM50409937

Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C

BDBM50400897

Cc1cccc(Sc2ccccc2N2CCNCC2)c1

BDBM50400889

Cc1cccc(Sc2ccccc2N2CCNCC2)c1C

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,)|

BDBM50573233

Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1

BDBM50330454

Cc1cccc2c1nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O

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,)|

BDBM322422

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

BDBM81957

Cc1cccc2ccc(nc12)N1CCNCC1

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,)|

BDBM50330452

Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12

BDBM50258428

Cc1cccc2nc(N3CCN(CC(=O)NO)CC3)c3cccn3c12

BDBM50258429

Cc1cccc2nc(N3CCN(CC3)C(C(O)=O)c3ccccc3)c3cccn3c12

BDBM50258430

Cc1cccc2nc(N3CCN(CC3)C(CO)c3ccccc3)c3cccn3c12

BDBM50299664

Cc1cccc2nc(N3CCN(CCn4ccnc4)CC3)c3cccn3c12

BDBM50081981

Cc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12

BDBM50299661

Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12

BDBM92420

Cc1ccccc1CSc1nc2nc[nH]c2c(=O)[nH]1

BDBM50033447

Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1

BDBM81982

Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|

BDBM50400895

Cc1ccccc1Sc1ccccc1N1CCNCC1

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,)|

BDBM50014549

Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|

BDBM160711

Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.64,-5.58,;2.16,-4.12,;3.03,-2.83,;2.12,-1.59,;2.55,.21,;1.59,1.41,;.05,1.41,;-.72,2.75,;-2.26,2.75,;-3.03,4.08,;-2.26,5.41,;-.72,5.41,;.05,4.08,;-1.28,3.31,;-1.7,4.85,;-.91,.21,;-2.4,.61,;-.67,-1.29,;-2.01,-2.06,;-2.01,-3.6,;-.68,-4.37,;.66,-3.6,;.66,-2.06,)|

BDBM50530424

Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM322311

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

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,)|

BDBM322310

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

BDBM50365251

Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1

BDBM50365252

Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCCC2)cc1

BDBM92431

Cc1nc(SCc2ccccc2)c2cc(sc2n1)-c1ccccc1

BDBM50252513

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM50001885

Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM50301291

Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1

BDBM322321

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

BDBM322322

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

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,)|

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,)|

BDBM82473

Cc1nc[nH]c1CCC(=O)c1cc2ccccc2n1C

BDBM93624

Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C

BDBM50013043

Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12

BDBM50014164

Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12

BDBM50014154

Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1

BDBM50014159

Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F

BDBM50523440

Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|

BDBM50539742

Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12

BDBM85330

Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C

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,)|

BDBM92423

Cc1ncnc2nc[nH]c12

BDBM50365254

Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1

BDBM410146

Cc1nnc(o1)-c1ccc(\C(N[C@H]2CN3CCC2CC3)=N\O)c(F)c1 |r,wU:12.12,TLB:11:12:15.16:18.19,(2.14,5.1,;1.73,3.61,;2.69,2.41,;1.84,1.12,;.36,1.53,;.29,3.07,;-.84,.57,;-.62,-.95,;-1.82,-1.91,;-3.25,-1.35,;-4.46,-2.31,;-5.89,-1.74,;-7.1,-2.7,;-6.81,-4.13,;-8.21,-3.48,;-7.95,-1.54,;-8.4,-.41,;-8.47,-2.08,;-9.97,-2.74,;-9.77,-4.15,;-4.23,-3.83,;-5.43,-4.79,;-3.48,.18,;-4.92,.74,;-2.28,1.14,)|

BDBM50207463

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C

BDBM50207516

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C

BDBM50330458

Cc1sc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C

BDBM50330447

Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C

BDBM50330449

Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C

BDBM50330483

Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)[nH]c(=O)c2c1C

BDBM50330460

Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C

BDBM50330446

Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C

BDBM50330468

Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C

BDBM50330482

Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4nc3-c3ccccc3)n(N)c(=O)c2c1C

BDBM50330477

Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4s3)n(N)c(=O)c2c1C

BDBM92428

Cc1sc2ncnc(SCc3c(Cl)cccc3Cl)c2c1C

BDBM92429

Cc1sc2ncnc(SCc3ccc(C)cc3)c2c1C

BDBM50582606

Cl.CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50582605

Cl.CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50582604

Cl.CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50582603

Cl.CNCCc1ccc(Cl)c(c1)-c1ccccc1OC

BDBM50596945

Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21

BDBM50530422

Clc1cc(C(=O)NC2CN3CCC2CC3)c2nccn2c1 |(8.45,-32.6,;9.78,-31.83,;9.78,-30.3,;11.11,-29.53,;11.11,-27.99,;9.78,-27.22,;12.45,-27.22,;12.45,-25.68,;13.78,-24.92,;13.78,-23.37,;12.45,-22.6,;11.11,-23.37,;11.11,-24.92,;12.85,-24.59,;12.17,-23.45,;12.45,-30.3,;13.91,-29.82,;14.82,-31.06,;13.91,-32.31,;12.45,-31.83,;11.11,-32.6,)|

BDBM410135

Clc1cc(Cl)c2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:8.7,TLB:7:8:11.12:14.15,(3.08,-.36,;1.72,-.87,;.54,.11,;-.91,-.43,;-2.03,.5,;-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,)|

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,)|

BDBM50014552

Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|

BDBM50161758

Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2 |wD:13.14,(6.37,-10.17,;7.7,-9.41,;9.02,-10.21,;10.37,-9.5,;11.82,-10.05,;12.78,-8.84,;11.91,-7.55,;10.43,-7.97,;9.14,-7.15,;7.77,-7.86,;9.21,-5.61,;7.89,-4.79,;10.56,-4.88,;10.62,-3.34,;12,-2.64,;12.07,-1.08,;10.76,-.26,;9.37,-.98,;9.31,-2.54,;10.14,-1.35,;10.78,-1.99,)|

BDBM50048803

Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12

BDBM85079

Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

BDBM322328

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

BDBM322290

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

BDBM322450

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

BDBM410121

Clc1cc2onc(N[C@@H]3CN4CCC3CC4)c2cc1Cl |r,wD:8.7,TLB:7:8:11.12:14.15,(2.63,-.75,;1.27,-1.26,;1.02,-2.78,;-.43,-3.32,;-1.23,-4.78,;-2.68,-4.69,;-2.91,-3.17,;-4.35,-2.6,;-5.55,-3.56,;-5.27,-4.99,;-6.66,-4.34,;-6.4,-2.4,;-6.86,-1.27,;-6.93,-2.94,;-8.43,-3.6,;-8.23,-5.01,;-1.62,-2.34,;-1.36,-.82,;.08,-.28,;.32,1.15,)|

BDBM410120

Clc1cc2onc(N[C@H]3CN4CCC3CC4)c2cc1Cl |r,wU:8.7,TLB:7:8:11.12:14.15,(2.45,-.87,;1.09,-1.38,;.84,-2.89,;-.6,-3.43,;-1.41,-4.89,;-2.86,-4.81,;-3.09,-3.28,;-4.52,-2.72,;-5.73,-3.68,;-5.44,-5.1,;-6.84,-4.46,;-6.58,-2.52,;-7.03,-1.39,;-7.11,-3.06,;-8.61,-3.72,;-8.41,-5.13,;-1.79,-2.46,;-1.54,-.94,;-.1,-.4,;.14,1.04,)|

BDBM50196475

Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCC2)cc1

BDBM50295834

Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCOCC2)cc1

BDBM50196478

Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCC2)cc1

BDBM50196465

Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1

BDBM50295822

Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCOCC2)cc1

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,)|

BDBM50400903

Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1

BDBM50400882

Clc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50400893

Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl

BDBM50458555

Clc1ccc(cc1)-c1n[nH]c2CCNCCc12

BDBM50573236

Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1

BDBM50573249

Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1

BDBM50458554

Clc1ccc(cc1)-c1noc2CCNCCc12

BDBM99924

Clc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:12.12,(2.52,-7.83,;2.12,-6.35,;.63,-5.95,;.23,-4.46,;1.32,-3.37,;2.81,-3.77,;3.21,-5.26,;.92,-1.88,;1.82,-.49,;.79,.9,;.79,2.44,;-.54,3.21,;-.54,4.75,;-1.87,5.52,;-1.87,7.06,;-.54,7.83,;.79,7.06,;.79,5.52,;-.81,5.52,;-.04,6.8,;-1.87,2.44,;-3.21,3.21,;-1.87,.9,;-3.21,.13,;-3.21,-1.41,;-1.87,-2.18,;-.54,-1.41,;-.54,.13,)|

BDBM322273

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

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,)|

BDBM50419050

Clc1ccc(cc1)C1CCNC1

BDBM50001897

Clc1ccc(cc1)N1CCNCC1

BDBM50397890

Clc1ccc(o1)C(=O)N1CC2CNCC2C1

BDBM50465456

Clc1ccc2C3CNC4CCC34Oc2n1

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM410101

Clc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU: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,)|

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,)|

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,)|

BDBM322404

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

BDBM322286

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

BDBM322387

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

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM410103

Clc1ccc2onc(N[C@@H]3CN4CCC3CC4)c2c1 |r,wD:9.8,(9.28,-1.42,;8.8,-2.89,;9.84,-4.03,;9.36,-5.5,;7.85,-5.82,;7.08,-7.15,;5.58,-6.83,;5.42,-5.3,;4.08,-4.53,;2.75,-5.3,;2.75,-6.84,;1.41,-7.61,;.08,-6.84,;.08,-5.3,;1.41,-4.53,;2.18,-5.86,;.7,-6.26,;6.82,-4.67,;7.3,-3.21,)|

BDBM410102

Clc1ccc2onc(N[C@H]3CN4CCC3CC4)c2c1 |r,wU:9.8,(9.28,-1.42,;8.8,-2.89,;9.84,-4.03,;9.36,-5.5,;7.85,-5.82,;7.08,-7.15,;5.58,-6.83,;5.42,-5.3,;4.08,-4.53,;2.75,-5.3,;2.75,-6.84,;1.41,-7.61,;.08,-6.84,;.08,-5.3,;1.41,-4.53,;2.18,-5.86,;.7,-6.26,;6.82,-4.67,;7.3,-3.21,)|

BDBM322288

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

BDBM50130293

Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl

BDBM50599907

Clc1cccc(N2CCN(CCCN3CCN(CC3)C(=O)c3ccccc3)CC2)c1Cl

BDBM50599900

Clc1cccc(N2CCN(CCCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl

BDBM50599911

Clc1cccc(N2CCN(CCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl

BDBM50400890

Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl

BDBM50573235

Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1

BDBM50573248

Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1

BDBM50001915

Clc1cccc(c1)N1CCNCC1

BDBM410098

Clc1cccc2c(N[C@@H]3CN4CCC3CC4)noc12 |r,wD: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,)|

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,)|

BDBM322274

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

BDBM50393255

Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)|

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,)|

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,)|

BDBM410114

Clc1cccc2onc(N[C@@H]3CN4CCC3CC4)c12 |r,wD:10.9,(4.57,-1.17,;5.6,-2.31,;7.11,-1.99,;8.14,-3.14,;7.66,-4.6,;6.16,-4.92,;5.39,-6.25,;3.88,-5.93,;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,;5.13,-3.78,)|

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,)|

BDBM50573247

Clc1ccccc1-c1n[nH]cc1N1CCNCC1

BDBM160728

Clc1ccccc1-c1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(1.93,-5.67,;2.7,-4.34,;4.24,-4.34,;5.01,-3.01,;4.24,-1.67,;2.7,-1.67,;1.93,-3.01,;.39,-3.01,;-.53,-4.24,;-1.99,-3.76,;-3.33,-4.51,;-4.66,-3.73,;-4.64,-2.19,;-3.3,-1.43,;-3.52,.09,;-5.01,.49,;-2.46,1.21,;-.93,1.08,;-.07,-.2,;-.54,-1.67,;-1.98,-2.22,;-2.86,2.7,;-4.35,3.1,;-4.75,4.58,;-3.66,5.67,;-2.17,5.27,;-1.77,3.79,;-3.66,3.5,;-3.26,4.98,)|

BDBM92416

Clc1ccccc1CSc1ncnc2nc[nH]c12

BDBM50295832

Clc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

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,)|

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,)|

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,)|

BDBM50017452

Clc1cncc(n1)N1CCNCC1

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,)|

BDBM322330

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

BDBM50334442

Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)|

BDBM50334443

Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23 |r,wU:6.5,(31.37,-5.57,;30.82,-4.13,;31.85,-2.38,;30.7,-1.35,;30.7,.2,;29.36,.96,;29.36,2.5,;28.02,3.26,;28.03,4.81,;29.36,5.58,;30.69,4.8,;30.69,3.27,;29.19,3.77,;29.51,4.41,;28.04,.2,;26.69,.98,;28.03,-1.35,;26.7,-2.12,;26.7,-3.66,;25.37,-4.43,;28.04,-4.43,;29.36,-3.66,;29.37,-2.12,)|

BDBM50334439

Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:6.5,(12.29,-5.2,;11.75,-3.77,;12.77,-2.02,;11.62,-.98,;11.62,.56,;10.28,1.33,;10.28,2.87,;8.95,3.63,;8.95,5.17,;10.28,5.94,;11.61,5.17,;11.61,3.64,;10.11,4.14,;10.43,4.78,;8.96,.56,;7.61,1.35,;8.96,-.99,;7.62,-1.76,;7.62,-3.3,;8.96,-4.07,;10.29,-3.3,;10.29,-1.75,)|

BDBM50295831

Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM50304335

Cn1c(cc2ccccc12)C(=O)OC1C[C@H]2CC[C@H](C1)N2 |r,TLB:12:13:20:16.17|

BDBM91604

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

BDBM91598

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

BDBM91600

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

BDBM91596

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

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|

BDBM91605

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

BDBM29525

Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12

BDBM50334454

Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r|

BDBM199538

Cn1cc(cn1)-n1cc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12 |TLB:11:12:20:15.16.17|

BDBM233389

Cn1cc(cn1)-n1cc(C(=O)N[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12

BDBM199484

Cn1cc(cn1)-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:11:12:20:15.16.17|

BDBM233371

Cn1cc(cn1)-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12

BDBM99935

Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)|

BDBM99938

Cn1cc2CCN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)|

BDBM50334453

Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)|

BDBM50334452

Cn1cc2CN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:6.5,(-3.65,-33.57,;-4.2,-32.13,;-3.17,-30.38,;-4.32,-29.35,;-4.32,-27.8,;-5.66,-27.04,;-5.66,-25.5,;-7,-24.74,;-6.99,-23.19,;-5.66,-22.42,;-4.33,-23.2,;-4.33,-24.73,;-5.83,-24.22,;-5.51,-23.59,;-6.98,-27.8,;-8.33,-27.02,;-6.99,-29.35,;-8.32,-30.12,;-8.32,-31.66,;-6.98,-32.43,;-5.66,-31.66,;-5.65,-30.12,)|

BDBM221661

Cn1ccc(cc1=O)-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:13:14:22:17.19.18|

BDBM199512

Cn1ccc(n1)-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:11:12:20:15.16.17|

BDBM233378

Cn1ccc(n1)-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12

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,)|

BDBM82272

Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12

BDBM50060417

Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1

BDBM50238419

Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

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,)|

BDBM322331

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

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,)|

BDBM50599913

Cn1nc(C(=O)N2CCN(CCN3CCN(CC3)c3cccc(Cl)c3Cl)CC2)c2ccccc12

BDBM50307827

Cn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c2ccccc12 |r|

BDBM99929

Cn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)|

BDBM50365247

Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCC2)cc1

BDBM50365248

Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCCC2)cc1

BDBM199522

Cn1nccc1-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12 |TLB:11:12:20:15.16.17|

BDBM233384

Cn1nccc1-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12

BDBM91707

Cn1nncc1COc1cc(=O)n(C)c2ccccc12

BDBM322423

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

BDBM221552

FC(F)(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cccnc12 |TLB:10:11:19:14.16.15|

BDBM221529

FC(F)(F)Cn1cc(C(=O)OC2CC3CCC(C2)N3)c2ccccc12 |TLB:10:11:18:14.15|

BDBM410122

FC(F)(F)Oc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:11.10,TLB:10:11:14.15:17.18,(1.91,1.72,;3.03,.79,;4.39,1.3,;4.15,-.13,;2.79,-.64,;1.43,-1.15,;.25,-.17,;-1.2,-.71,;-1.45,-2.23,;-2.75,-3.06,;-4.18,-2.49,;-5.39,-3.45,;-5.1,-4.88,;-6.5,-4.23,;-6.24,-2.29,;-6.69,-1.16,;-6.76,-2.83,;-8.27,-3.49,;-8.07,-4.9,;-2.52,-4.58,;-1.07,-4.67,;-.26,-3.21,;1.18,-2.67,)|

BDBM322356

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

BDBM601033

FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1

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,)|

BDBM322389

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

BDBM50523439

FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12

BDBM50523438

FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12

BDBM50400879

FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM84952

FC(F)(F)c1ccc(cc1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1

BDBM410111

FC(F)(F)c1ccc2c(N[C@@H]3CN4CCC3CC4)noc2c1 |r,wD:10.9,(10.18,-2.72,;8.67,-3.04,;8.99,-4.55,;8.35,-1.54,;7.16,-3.36,;6.13,-2.22,;4.63,-2.54,;4.15,-4,;2.75,-4.63,;1.41,-3.86,;.08,-4.63,;.08,-6.17,;-1.26,-6.94,;-2.59,-6.17,;-2.59,-4.63,;-1.26,-3.86,;-.49,-5.19,;-1.97,-5.59,;2.91,-6.16,;4.41,-6.48,;5.18,-5.15,;6.69,-4.83,)|

BDBM410110

FC(F)(F)c1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:10.9,(10.18,-2.72,;8.67,-3.04,;8.99,-4.55,;8.35,-1.54,;7.16,-3.36,;6.13,-2.22,;4.63,-2.54,;4.15,-4,;2.75,-4.63,;1.41,-3.86,;.08,-4.63,;.08,-6.17,;-1.26,-6.94,;-2.59,-6.17,;-2.59,-4.63,;-1.26,-3.86,;-.49,-5.19,;-1.97,-5.59,;2.91,-6.16,;4.41,-6.48,;5.18,-5.15,;6.69,-4.83,)|

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,)|

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,)|

BDBM322296

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

BDBM322280

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

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,)|

BDBM221553

FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cc(F)cnc12 |TLB:9:10:18:13.15.14|

BDBM221679

FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12 |TLB:9:10:18:13.15.14|

BDBM221595

FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cccnc12 |TLB:9:10:18:13.15.14|

BDBM221615

FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3C(F)(F)F)c2cccnc12 |TLB:9:10:18:13.15.14|

BDBM221623

FC(F)Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2cccnc12 |r,wD:10.9,(-3.94,-9.27,;-3.94,-7.73,;-2.61,-6.96,;-5.27,-6.96,;-5.27,-5.42,;-4.08,-4.45,;-4.63,-3.02,;-3.86,-1.68,;-4.63,-.35,;-1.29,-.89,;-.2,.2,;-.6,1.69,;.49,2.78,;1.98,2.38,;2.38,.89,;1.29,-.2,;1.76,.74,;1.36,2.23,;-6.17,-3.1,;-7.26,-2.01,;-8.74,-2.41,;-9.14,-3.89,;-8.05,-4.98,;-6.57,-4.58,)|

BDBM221581

FC(F)Cn1cc(C(=O)N[C@H]2CN3CCC2CC3)c2cccnc12 |r,wU:10.9,(2.78,-8.64,;2.01,-7.31,;2.78,-5.98,;.47,-7.31,;-.3,-5.98,;.25,-4.54,;-.95,-3.57,;-.95,-2.03,;-2.28,-1.26,;.38,-1.26,;.38,.28,;-.95,1.05,;-.95,2.59,;.38,3.36,;1.72,2.59,;1.72,1.05,;1.13,2.02,;-.36,1.62,;-2.24,-4.41,;-3.73,-4.01,;-4.82,-5.1,;-4.42,-6.58,;-2.93,-6.98,;-1.84,-5.89,)|

BDBM221559

FC(F)Cn1cc(C(=O)OC2CC3CCC(C2)N3)c2ccccc12 |TLB:9:10:17:13.14|

BDBM221545

FC(F)Cn1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12 |TLB:9:10:18:13.15.14|

BDBM88557

FC(F)Cn1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12 |TLB:9:10:18:14.13.15|

BDBM221612

FC(F)Cn1cc(C(=O)OC2CC3COCC(C2)N3)c2cccnc12 |TLB:9:10:18:13.15.14|

BDBM221604

FC(F)Cn1cc(C(=O)OC2CCN3CCOC2C3)c2cc(F)ccc12

BDBM221579

FC(F)Cn1nc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12 |TLB:9:10:18:13.15.14|

BDBM50516235

FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1

BDBM221564

FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 |THB:12:10:3:5.7.6|

BDBM221547

FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:12:10:3:5.7.6|

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,)|

BDBM410149

Fc1c(Cl)ccc2c(N[C@@H]3CN4CCC3CC4)noc12 |r,wD:9.8,TLB:8:9:12.13:15.16,(3.41,-2.59,;2.29,-1.67,;2.54,-.15,;3.9,.36,;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,)|

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,)|

BDBM322388

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

BDBM322400

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

BDBM410134

Fc1cc(Cl)cc2onc(N[C@H]3CN4CCC3CC4)c12 |r,wU:11.10,TLB:10:11:14.15:17.18,(-2.03,.5,;-.91,-.43,;.54,.11,;1.72,-.87,;3.08,-.36,;1.47,-2.38,;.03,-2.92,;-.78,-4.39,;-2.23,-4.3,;-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,;-1.16,-1.95,)|

BDBM160714

Fc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.19,-5.12,;-1.85,-4.35,;-1.85,-2.81,;-.52,-2.04,;-.75,-.54,;-2.24,-.14,;.21,.66,;1.75,.66,;2.71,-.54,;2.28,-2.34,;3.19,-3.58,;2.28,-4.83,;.82,-4.35,;-.52,-5.12,;.82,-2.81,;-.19,2.15,;-1.68,2.55,;-2.08,4.04,;-.99,5.12,;.5,4.73,;.9,3.24,;-.59,2.84,;-.59,4.43,)|

BDBM50014551

Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)|

BDBM410151

Fc1cc2c(N[C@@H]3CN4CCC3CC4)noc2cc1Cl |r,wD:6.5,TLB:5:6:9.10:12.13,(1.68,2.31,;1.44,.88,;0,.34,;-.25,-1.18,;-1.55,-2.01,;-2.98,-1.45,;-4.19,-2.41,;-3.9,-3.83,;-5.3,-3.18,;-5.04,-1.25,;-5.5,-.11,;-5.57,-1.79,;-7.07,-2.44,;-6.87,-3.85,;-1.32,-3.53,;.13,-3.62,;.94,-2.16,;2.38,-1.62,;2.63,-.1,;3.99,.41,)|

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,)|

BDBM322421

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

BDBM322417

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

BDBM50196473

Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1

BDBM50295838

Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCOCC2)cc1

BDBM50103069

Fc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1

BDBM50400881

Fc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50420606

Fc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

BDBM50319677

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319673

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50027256

Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1

BDBM50458550

Fc1ccc(cc1)-c1n[nH]c2CCNCCc12

BDBM50573238

Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1

BDBM50573252

Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1

BDBM50458553

Fc1ccc(cc1)-c1noc2CCNCCc12

BDBM50334451

Fc1ccc(cc1)-n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:12.12,(46.59,-23.52,;46.04,-22.08,;44.52,-21.83,;43.97,-20.4,;44.95,-19.21,;46.46,-19.44,;47.01,-20.88,;44.4,-17.77,;45.43,-16.02,;44.28,-14.98,;44.28,-13.44,;42.94,-12.67,;42.94,-11.13,;41.6,-10.37,;41.61,-8.83,;42.94,-8.06,;44.27,-8.83,;44.27,-10.36,;42.77,-9.86,;43.09,-9.22,;41.62,-13.44,;40.27,-12.65,;41.61,-14.99,;40.28,-15.76,;40.28,-17.3,;41.62,-18.07,;42.94,-17.3,;42.95,-15.75,)|

BDBM50334450

Fc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:12.12,(36.32,-23.94,;35.77,-22.51,;34.25,-22.26,;33.7,-20.83,;34.67,-19.63,;36.19,-19.87,;36.74,-21.31,;34.13,-18.2,;35.16,-16.45,;34,-15.41,;34.01,-13.87,;32.67,-13.1,;32.66,-11.56,;31.33,-10.8,;31.33,-9.25,;32.67,-8.48,;34,-9.26,;34,-10.79,;32.49,-10.29,;32.81,-9.65,;31.34,-13.87,;29.99,-13.08,;31.34,-15.41,;30,-16.18,;30,-17.73,;31.34,-18.5,;32.67,-17.73,;32.67,-16.18,)|

BDBM50295823

Fc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM50295837

Fc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCOCC1

BDBM50001786

Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12

BDBM21395

Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

BDBM21397

Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1

BDBM50334150

Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1

BDBM26948

Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

BDBM22165

Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1

BDBM22416

Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1

BDBM50319678

Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319683

Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM50299667

Fc1ccc2c(c1)nc(N1CCN(CC3=NCCN3)CC1)c1cccn21 |t:15|

BDBM50299666

Fc1ccc2c(c1)nc(N1CCN(CCc3cnc[nH]3)CC1)c1cccn21

BDBM50299663

Fc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn21

BDBM50081974

Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21

BDBM50299660

Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21

BDBM50258460

Fc1ccc2c(c1)nc(N1CCN(Cc3n[nH]c(=O)[nH]3)CC1)c1cccn21

BDBM50258461

Fc1ccc2c(c1)nc(N1CCN(Cc3n[nH]c(=O)o3)CC1)c1cccn21

BDBM50299662

Fc1ccc2c(c1)nc(N1CCN(Cc3ncc[nH]3)CC1)c1cccn21

BDBM50258432

Fc1ccc2c(c1)nc(N1CCN(Cc3nnc[nH]3)CC1)c1cccn21

BDBM50258459

Fc1ccc2c(c1)nc(N1CCN(Cc3nnn[nH]3)CC1)c1cccn21

BDBM322282

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

BDBM322399

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

BDBM221522

Fc1ccc2n(CC(F)(F)F)cc(C(=O)NC3CC4COCC(C3)N4)c2c1 |TLB:15:16:24:19.21.20|

BDBM221573

Fc1ccc2n(CC(F)(F)F)cc(C(=O)OC3CC4COCC(C3)N4)c2c1 |TLB:15:16:24:19.21.20|

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,)|

BDBM410125

Fc1ccc2onc(N[C@@H]3CN4CCC3CC4)c2c1 |r,wD:9.8,TLB:8:9:12.13:15.16,(.65,1.41,;.41,-.03,;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,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-1.28,-2.09,;-1.03,-.57,)|

BDBM410124

Fc1ccc2onc(N[C@H]3CN4CCC3CC4)c2c1 |r,wU:9.8,TLB:8:9:12.13:15.16,(1.01,1.59,;.77,.16,;1.96,-.82,;1.71,-2.34,;.27,-2.88,;-.54,-4.34,;-1.99,-4.25,;-2.22,-2.73,;-3.65,-2.17,;-4.86,-3.12,;-4.57,-4.55,;-5.97,-3.9,;-5.71,-1.96,;-6.17,-.83,;-6.24,-2.5,;-7.74,-3.16,;-7.54,-4.57,;-.92,-1.9,;-.67,-.38,)|

BDBM322285

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

BDBM50060437

Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1

BDBM50196469

Fc1cccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)c1

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,)|

BDBM50573237

Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1

BDBM50573251

Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1

BDBM50579346

Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1

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,)|

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,)|

BDBM50443688

Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc21

BDBM50443687

Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc21

BDBM50399621

Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21

BDBM322275

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

BDBM410126

Fc1cccc2onc(N[C@H]3CN4CCC3CC4)c12 |r,wU:10.9,TLB:9:10:13.14:16.17,(-2.15,.36,;-1.03,-.57,;.41,-.03,;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,;-6.52,-1.02,;-6.59,-2.69,;-8.1,-3.35,;-7.9,-4.76,;-1.28,-2.09,)|

BDBM50319676

Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1

BDBM50319682

Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

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,)|

BDBM50573250

Fc1ccccc1-c1n[nH]cc1N1CCNCC1

BDBM92438

Fc1ccccc1CSc1ncnc2c3ccccc3oc12

BDBM92424

Fc1ccccc1CSc1ncnc2sc3CCCCc3c12

BDBM50295825

Fc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1

BDBM221616

Fc1cnc2n(CC(F)(F)F)cc(C(=O)NC3CC4COCC(C3)N4)c2c1 |TLB:15:16:24:19.21.20|

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,)|

BDBM50336843

Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

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,)|

BDBM410116

N#Cc1ccc2c(N[C@H]3CN4CCC3CC4)noc2c1 |r,wU:8.7,TLB:7:8:11.12:14.15,(4.24,-.9,;2.77,-1.38,;1.31,-1.85,;.16,-.82,;-1.3,-1.3,;-1.62,-2.81,;-2.96,-3.58,;-4.48,-2.98,;-5.75,-4,;-5.45,-5.51,;-6.93,-4.82,;-6.66,-2.76,;-7.14,-1.56,;-7.22,-3.34,;-8.81,-4.03,;-8.59,-5.53,;-2.64,-5.08,;-1.11,-5.24,;-.48,-3.84,;.99,-3.36,)|

BDBM50278559

N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1

BDBM50599901

N#Cc1cccnc1N1CCN(CCCN2CCN(CC2)c2ccccc2)CC1

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,)|

BDBM50053615

NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|

BDBM16173

NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

BDBM81818

NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

BDBM50013039

NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12

BDBM81483

NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1

BDBM50335600

NC(=O)C1CSC(=N1)c1ccccc1O |c:6|

BDBM50258294

NC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50003659

NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|

BDBM26739

NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1

BDBM50335599

NC(=O)c1csc(n1)-c1ccccc1O

BDBM50164447

NC(CCS(O)(=O)=O)C(O)=O

BDBM86202

NC(CCS)C(O)=O

BDBM85473

NC(CS(O)(=O)=O)C(O)=O

BDBM86194

NC(CS(O)=O)C(O)=O

BDBM86203

NC(CS)C(O)=O

BDBM86199

NC(CSSCC(N)C(O)=O)C(O)=O

BDBM4377

NC(Cc1ccc(O)c(O)c1)C(O)=O

BDBM50234920

NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|

BDBM50241836

NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|

BDBM81819

NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|

BDBM22913

NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|

BDBM22541

NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|

BDBM50148831

NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|

BDBM50441458

NC1=NCc2cc(Cl)ccc2N1 |t:1|

BDBM50371434

NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|

BDBM50371435

NC1=Nc2cccc(Cl)c2CN1 |t:1|

BDBM50113851

NC1CC1c1ccccc1

BDBM50421347

NCCC1COc2ccc(cc12)C(N)=O

BDBM10755

NCCc1c[nH]c2ccc(O)cc12

BDBM55121

NCCc1ccc(O)c(O)c1

BDBM29135

NCCc1ccc(O)cc1

BDBM50421346

NCCc1coc2ccc(cc12)C(N)=O

BDBM50299668

NNC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50220147

N[C@@H](CCS(O)(=O)=O)C(O)=O |r|

BDBM86201

N[C@@H](CCS(O)=O)C(O)=O |r|

BDBM50258462

N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|

BDBM86205

N[C@@H]1CCSC1=O |r|

BDBM86196

N[C@H](CCS(O)(=O)=O)C(O)=O |r|

BDBM86197

N[C@H](CCS(O)=O)C(O)=O |r|

BDBM50258495

N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|

BDBM50258496

N[C@H](CO)C(=O)N1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 |r|

BDBM86198

N[C@H]1CCSC1=O |r|

BDBM86038

Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12

BDBM50122871

Nc1cc2OCCOCCN3CCC(CC3)NC(=O)c2cc1Cl |(-1.23,-5.96,;.1,-5.19,;1.43,-5.96,;2.77,-5.19,;4.1,-5.96,;4.1,-7.49,;5.33,-8.36,;7.24,-7.78,;8.8,-8.71,;10.27,-7.82,;10.27,-5.68,;9.34,-4.92,;8.29,-2.86,;6.75,-2.86,;7.89,-3.75,;8.59,-5.56,;5.43,-3.63,;4.08,-2.87,;4.08,-1.33,;2.77,-3.64,;1.43,-2.87,;.1,-3.65,;-1.23,-2.88,)|

BDBM322283

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

BDBM50419044

Nc1ccc2cc3ccccc3nc2c1

BDBM50449038

Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1

BDBM14322

Nc1ccc2ccccc2n1

BDBM92414

Nc1nc(SCc2cccc3ccccc23)c2[nH]cnc2n1

BDBM50329730

Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(4.69,-4.73,;3.15,-4.73,;2.24,-3.48,;.76,-3.96,;-.57,-3.2,;-1.9,-3.97,;-1.9,-5.51,;-3.24,-6.28,;-.57,-6.28,;.76,-5.51,;2.24,-5.99,;-.58,-1.66,;-1.91,-.89,;.76,-.88,;.75,.66,;.56,2.04,;2.02,2.68,;3.38,2.08,;3.65,.68,;2.28,1.32,;2.54,3.21,;2.09,4.32,)|

BDBM50329729

Nc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:13.14,TLB:12:13:17.16:19.20,(3.57,-5.44,;2.04,-5.44,;1.13,-4.19,;-.35,-4.67,;-1.68,-3.9,;-3.01,-4.67,;-3.01,-6.22,;-1.68,-6.99,;-.35,-6.22,;1.13,-6.7,;-1.69,-2.36,;-3.02,-1.6,;-.36,-1.59,;-.36,-.05,;-.56,1.33,;.91,1.98,;2.26,1.37,;2.54,-.03,;1.17,.61,;1.43,2.51,;.98,3.61,)|

BDBM322386

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

BDBM92419

Nc1ncnc2nc(SCc3ccccc3Cl)[nH]c12

BDBM50094703

Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1

BDBM50330451

Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330471

Nn1c(CCCCN2CCN(CC2)c2ccc3cc(O)ccc3n2)nc2CCCCc2c1=O

BDBM50330465

Nn1c(CCCCN2CCN(CC2)c2ccc3ccc(O)cc3n2)nc2CCCCc2c1=O

BDBM50330464

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCC(O)Cc2c1=O

BDBM50330479

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCCc2c1=O

BDBM50330441

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330473

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCc2c1=O

BDBM50330478

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2c(Cl)cccc2c1=O

BDBM50330455

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O

BDBM50330484

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(F)ccc2c1=O

BDBM50330486

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccc(Cl)cc2c1=O

BDBM50330470

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccc(F)cc2c1=O

BDBM50330485

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccc(Cl)c2c1=O

BDBM50330467

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccc(F)c2c1=O

BDBM50330459

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O

BDBM50330487

Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCCc23)nc2CCCCc2c1=O

BDBM50330474

Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCc23)nc2CCCCc2c1=O

BDBM50330443

Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3cc2O)nc2CCCCc2c1=O

BDBM50330481

Nn1c(CCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330488

Nn1c(CCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330480

Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330440

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50330444

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O

BDBM50330457

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O

BDBM50330472

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cccnc2c1=O

BDBM50330476

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ncccc2c1=O

BDBM50330461

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c2c1=O

BDBM50330448

Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O

BDBM27213

O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1

BDBM50326218

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50416397

O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1

BDBM50599917

O=C(N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccccn1

BDBM322300

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

BDBM322298

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

BDBM322271

O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1

BDBM322277

O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1

BDBM322278

O=C(NC1C2CCN(CC2)C11CC1)c1ccc2occc2c1

BDBM199533

O=C(NC1CC2COCC(C1)N2)c1cn(-c2cccnc2)c2ccccc12 |TLB:2:3:11:6.7.8|

BDBM199541

O=C(NC1CC2COCC(C1)N2)c1cn(-c2cn[nH]c2)c2ccccc12 |TLB:2:3:11:6.7.8|

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,)|

BDBM50319674

O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccc1

BDBM50319679

O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccn1

BDBM50319680

O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccc1

BDBM50319684

O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1

BDBM85672

O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|

BDBM50295829

O=C(NCCN1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O

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,)|

BDBM322308

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

BDBM322341

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

BDBM322335

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

BDBM322448

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

BDBM322451

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

BDBM322432

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

BDBM322427

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

BDBM322401

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

BDBM322406

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

BDBM322415

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

BDBM322306

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

BDBM322333

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

BDBM322343

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

BDBM322312

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

BDBM322320

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

BDBM322429

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

BDBM322279

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

BDBM322319

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

BDBM322440

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

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,)|

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,)|

BDBM50329727

O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(3.1,1.5,;4.44,.73,;5.77,1.51,;5.77,3.05,;5.57,4.43,;7.04,5.08,;8.39,4.47,;8.67,3.07,;7.3,3.71,;7.56,5.61,;7.11,6.71,;4.44,-.81,;3.11,-1.58,;3.11,-3.13,;4.45,-3.9,;5.78,-3.12,;7.25,-3.6,;8.17,-2.35,;7.25,-1.09,;5.78,-1.57,;9.7,-2.34,;11.04,-3.11,;11.03,-1.57,)|

BDBM50329723

O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)N1CCOCC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(2.46,-6.94,;3.79,-7.71,;5.13,-6.93,;5.12,-5.39,;4.93,-4.01,;6.4,-3.37,;7.75,-3.97,;8.02,-5.37,;6.66,-4.73,;6.91,-2.84,;6.47,-1.73,;3.8,-9.25,;2.47,-10.02,;2.47,-11.56,;3.8,-12.33,;5.14,-11.56,;6.61,-12.04,;7.52,-10.78,;6.61,-9.53,;5.13,-10.01,;9.06,-10.78,;9.83,-12.12,;11.36,-12.12,;12.14,-10.78,;11.36,-9.44,;9.82,-9.45,)|

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,)|

BDBM233388

O=C(N[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12

BDBM233391

O=C(N[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cn[nH]c2)c2ccccc12

BDBM50377050

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

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,)|

BDBM221668

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccc(cc2)C#N)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221664

O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccc(c2)C#N)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221663

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccccc2C#N)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM199098

O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccnc2)c2ccccc12 |TLB:2:3:6.7.8:11|

BDBM221640

O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccnn2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM299221

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccnc(c2)C#N)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM199091

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccncc2)c2ccccc12 |TLB:2:3:11:6.7.8|

BDBM221652

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccns2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221646

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccsn2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221642

O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnccn2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221644

O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221539

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncccn2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221666

O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221632

O=C(OC1CC2COCC(C1)N2)c1cn(-c2nccs2)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221675

O=C(OC1CC2COCC(C1)N2)c1cn(CC#N)c2ccccc12 |TLB:2:3:11:6.8.7|

BDBM221638

O=C(OC1CC2COCC(C1)N2)c1cn(c2ccccc12)S(=O)(=O)C1CC1 |TLB:2:3:11:6.8.7|

BDBM50304333

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cc2ccccc2[nH]1 |r,TLB:2:3:10:6.7|

BDBM50292603

O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12

BDBM233367

O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12

BDBM233381

O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2ccnc(c2)C#N)c2ccccc12

BDBM233363

O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2ccncc2)c2ccccc12

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,)|

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,)|

BDBM50001859

O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1

BDBM82518

O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1

BDBM50359418

O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCCN12

BDBM50359419

O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12

BDBM50164450

O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12

BDBM160731

O=C1N(CC23CCN(CC2)CC3)CCc2c[nH]c3cccc1c23

BDBM160734

O=C1N(CC23CCN(CC2)CC3)CCn2ncc3cccc1c23

BDBM160732

O=C1N(CC23CCN(CC2)CC3)Cc2n[nH]c3cccc1c23

BDBM160735

O=C1N(CC2CN3CCC2CC3)CCc2n[nH]c3cccc1c23 |(-2.9,-.44,;-1.41,-.84,;-.37,.29,;-.76,1.78,;.32,2.87,;1.81,2.47,;2.9,3.56,;2.5,5.04,;1.01,5.44,;-.07,4.35,;1.47,4.35,;1.61,3.49,;1.18,.28,;2.04,-1.1,;1.61,-2.66,;2.52,-3.9,;1.61,-5.15,;.15,-4.67,;-1.18,-5.44,;-2.52,-4.67,;-2.52,-3.13,;-1.18,-2.36,;.15,-3.13,)|

BDBM160733

O=C1N(CC2CN3CCC2CC3)Cc2n[nH]c3cccc1c23 |(-3.17,.09,;-1.83,-.68,;-.5,.09,;-.5,1.63,;.59,2.72,;2.08,2.32,;3.17,3.41,;2.77,4.9,;1.28,5.3,;.19,4.21,;1.73,4.21,;1.47,3.17,;1.01,-.62,;.96,-2.37,;1.87,-3.76,;.97,-5,;-.5,-4.53,;-1.83,-5.3,;-3.17,-4.53,;-3.17,-2.99,;-1.83,-2.22,;-.5,-2.99,)|

BDBM160713

O=C1N(CCCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(-2.39,-.06,;-.9,-.46,;-.31,.96,;1.11,1.55,;2.53,.96,;3.12,-.46,;2.49,-2.18,;3.39,-3.42,;2.49,-4.67,;1.02,-4.19,;-.31,-4.96,;-1.65,-4.19,;-1.65,-2.65,;-.31,-1.88,;1.02,-2.65,;-1.08,2.3,;-2.62,2.3,;-3.39,3.63,;-2.62,4.96,;-1.08,4.96,;-.31,3.63,;-1.65,2.86,;-2.06,4.4,)|

BDBM160712

O=C1N(CCCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:15.17,(-2.39,-.06,;-.9,-.46,;-.31,.96,;1.11,1.55,;2.53,.96,;3.12,-.46,;2.49,-2.18,;3.39,-3.42,;2.49,-4.67,;1.02,-4.19,;-.31,-4.96,;-1.65,-4.19,;-1.65,-2.65,;-.31,-1.88,;1.02,-2.65,;-1.08,2.3,;-2.62,2.3,;-3.39,3.63,;-2.62,4.96,;-1.08,4.96,;-.31,3.63,;-1.65,2.86,;-2.06,4.4,)|

BDBM50014557

O=C1N(CCN2c3c(NS2(=O)=O)cccc13)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(16.89,-9.61,;18.36,-10.06,;19.41,-8.91,;20.95,-9.03,;21.82,-10.31,;21.38,-11.78,;19.94,-12.35,;19.93,-13.9,;21.41,-14.38,;22.32,-13.13,;23.64,-13.91,;23.66,-12.37,;18.6,-14.67,;17.27,-13.9,;17.27,-12.36,;18.6,-11.59,;18.85,-7.48,;17.32,-7.26,;16.76,-5.82,;17.72,-4.62,;19.24,-4.85,;19.8,-6.28,;18.85,-5.25,;18.09,-6.58,)|

BDBM99937

O=C1N(CCc2c[nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:14.16,(-2.71,-.1,;-1.22,-.49,;-.18,.63,;1.36,.52,;2.23,-.75,;1.81,-2.31,;2.71,-3.56,;1.81,-4.8,;.34,-4.33,;-.99,-5.1,;-2.33,-4.33,;-2.33,-2.79,;-.99,-2.02,;.34,-2.79,;-.57,2.12,;-2.06,2.52,;-2.46,4.01,;-1.37,5.1,;.12,4.7,;.52,3.21,;-.97,2.87,;-.97,4.41,)|

BDBM99936

O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.95,4.61,;-2.95,6.15,)|

BDBM99939

O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.95,4.61,;-2.95,6.15,)|

BDBM99942

O=C1N(CCc2cn(c3cccc1c23)S(=O)(=O)c1ccccc1)[C@@H]1CN2CCC1CC2 |r,wD:23.26,(-.74,2.42,;.74,2.03,;1.79,3.15,;3.33,3.04,;4.19,1.77,;3.77,.21,;4.68,-1.04,;3.77,-2.28,;2.31,-1.81,;.97,-2.58,;-.36,-1.81,;-.36,-.27,;.97,.5,;2.31,-.27,;4.25,-3.75,;2.78,-4.22,;5.71,-3.27,;4.72,-5.21,;6.23,-5.53,;6.7,-7,;5.67,-8.14,;4.17,-7.82,;3.69,-6.36,;1.39,4.64,;-.1,5.04,;-.49,6.53,;.59,7.62,;2.08,7.22,;2.48,5.73,;.99,5.39,;.99,6.93,)|

BDBM99928

O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-2.66,-.09,;-1.17,-.49,;-.45,.87,;1.04,1.16,;2.28,.16,;2.33,-1.46,;3.53,-2.43,;2.98,-3.87,;1.44,-3.79,;.35,-4.87,;-1.14,-4.48,;-1.54,-2.99,;-.45,-1.9,;1.04,-2.3,;-1.22,2.21,;-2.76,2.21,;-3.53,3.54,;-2.76,4.87,;-1.22,4.87,;-.45,3.54,;-1.8,2.82,;-2.19,4.31,)|

BDBM99934

O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-7.62,1.93,;-6.13,1.53,;-5.09,2.66,;-3.55,2.55,;-2.68,1.27,;-3.11,-.28,;-2.2,-1.53,;-3.11,-2.78,;-4.57,-2.3,;-5.9,-3.07,;-7.24,-2.3,;-7.24,-.76,;-5.9,.01,;-4.57,-.76,;-5.48,4.15,;-6.97,4.55,;-7.37,6.04,;-6.28,7.12,;-4.79,6.73,;-4.4,5.24,;-5.88,4.89,;-5.88,6.43,)|

BDBM99933

O=C1N(CCc2n[nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:14.16,(-2.71,-.1,;-1.22,-.49,;-.18,.63,;1.36,.52,;2.23,-.75,;1.81,-2.31,;2.71,-3.56,;1.81,-4.8,;.34,-4.33,;-.99,-5.1,;-2.33,-4.33,;-2.33,-2.79,;-.99,-2.02,;.34,-2.79,;-.57,2.12,;-2.06,2.52,;-2.46,4.01,;-1.37,5.1,;.12,4.7,;.52,3.21,;-.6,4.25,;-1.37,2.92,)|

BDBM99932

O=C1N(CCc2nn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.58,5.99,;-3.35,4.66,)|

BDBM160726

O=C1N(CCn2c(nc3cccc1c23)-c1ccccc1)[C@@H]1CN2CCC1CC2 |r,wD:20.23,(-5.01,-.09,;-3.52,-.49,;-2.46,.63,;-.93,.5,;-.07,-.78,;-.54,-2.24,;.39,-3.59,;-.53,-4.82,;-1.99,-4.33,;-3.33,-5.09,;-4.66,-4.31,;-4.64,-2.77,;-3.3,-2.01,;-1.98,-2.8,;1.93,-3.59,;2.7,-4.92,;4.24,-4.92,;5.01,-3.59,;4.24,-2.25,;2.7,-2.25,;-2.86,2.12,;-4.35,2.52,;-4.75,4,;-3.66,5.09,;-2.17,4.69,;-1.77,3.21,;-3.66,2.92,;-3.26,4.4,)|

BDBM50014556

O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|

BDBM50014548

O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|

BDBM50014547

O=C1N(CCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|

BDBM160718

O=C1N(CCn2cnc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-2.7,-.09,;-1.21,-.49,;-.15,.63,;1.38,.5,;2.24,-.78,;1.77,-2.24,;2.7,-3.59,;1.78,-4.82,;.32,-4.33,;-1.02,-5.09,;-2.35,-4.31,;-2.33,-2.77,;-.99,-2.01,;.33,-2.8,;-.55,2.12,;-2.04,2.52,;-2.44,4,;-1.35,5.09,;.14,4.69,;.54,3.21,;-1.35,2.92,;-.95,4.4,)|

BDBM50014550

O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)|

BDBM50417287

O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)|

BDBM92433

O=Cc1ccc(Oc2ncnc3sc(cc23)-c2ccccc2)cc1

BDBM50330450

O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12

BDBM50330462

O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12

BDBM91601

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

BDBM50365245

O=c1cc(cn[nH]1)-c1ccc(OCCCN2CCCCC2)cc1

BDBM50365256

O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1

BDBM50365257

O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1

BDBM50334441

O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:13.15,(-.61,1.94,;.74,1.15,;2.06,1.92,;3.4,1.15,;3.4,-.39,;4.55,-1.43,;3.52,-3.18,;2.06,-2.71,;.74,-3.48,;-.6,-2.71,;-.6,-1.16,;.73,-.4,;2.07,-1.16,;2.06,3.46,;.72,4.22,;.73,5.76,;2.06,6.53,;3.39,5.76,;3.39,4.23,;1.89,4.73,;2.21,5.37,)|

BDBM50334440

O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:13.15,(-7.86,1.16,;-6.52,.38,;-5.19,1.14,;-3.85,.37,;-3.86,-1.17,;-2.7,-2.21,;-3.73,-3.95,;-5.19,-3.48,;-6.52,-4.25,;-7.86,-3.48,;-7.85,-1.94,;-6.52,-1.17,;-5.19,-1.94,;-5.2,2.68,;-6.53,3.44,;-6.53,4.98,;-5.19,5.75,;-3.86,4.98,;-3.86,3.45,;-5.37,3.95,;-5.05,4.59,)|

BDBM50334449

O=c1n(cc2[nH]n(Cc3ccccc3)c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:20.23,(21.21,-11.04,;22.56,-11.82,;23.88,-11.05,;25.22,-11.82,;25.22,-13.37,;26.37,-14.4,;25.34,-16.15,;26.1,-17.48,;25.33,-18.81,;23.79,-18.79,;23.01,-20.12,;23.77,-21.46,;25.32,-21.46,;26.09,-20.13,;23.88,-15.68,;22.56,-16.45,;21.22,-15.68,;21.22,-14.14,;22.56,-13.37,;23.89,-14.14,;23.88,-9.52,;22.55,-8.75,;22.55,-7.21,;23.88,-6.44,;25.21,-7.21,;25.21,-8.75,;23.71,-8.24,;24.03,-7.61,)|

BDBM264118

O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

BDBM264119

O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1

BDBM264120

O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

BDBM50483176

OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50258497

OC(=O)CN1CCN(CC1)c1ccc2ccccc2n1

BDBM50258292

OC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50258293

OC(=O)CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12

BDBM21398

OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

BDBM84979

OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O

BDBM86036

OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

BDBM78433

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM50026957

OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM50095890

OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|

BDBM50335598

OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|

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|

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|

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|

BDBM160715

OCc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.24,-5.93,;-3.24,-4.39,;-1.91,-3.62,;-1.85,-2.04,;-.52,-1.27,;-.75,.23,;-2.24,.63,;.21,1.43,;1.75,1.43,;2.71,.23,;2.28,-1.57,;3.19,-2.81,;2.28,-4.06,;.82,-3.58,;-.52,-4.36,;.82,-2.04,;-.19,2.92,;-1.68,3.32,;-2.08,4.8,;-.99,5.89,;.5,5.5,;.9,4.01,;-.59,3.61,;-.59,5.2,)|

BDBM160730

OCc1ccc(Cn2cc3CCN(CC45CCN(CC4)CC5)C(=O)c4cccc2c34)cc1

BDBM50258431

ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50258339

ONC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12

BDBM50264214

O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|

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,)|

BDBM50334438

Oc1c(cnc2ccsc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(24.73,-41.92,;24.73,-43.46,;23.4,-44.24,;23.4,-45.78,;24.73,-46.55,;26.07,-45.78,;27.54,-46.24,;28.43,-44.99,;27.52,-43.76,;26.06,-44.24,;22.06,-43.47,;22.06,-41.93,;20.73,-44.25,;19.39,-43.48,;19.39,-41.94,;18.06,-41.17,;16.72,-41.94,;16.73,-43.49,;18.06,-44.26,;18.61,-43.27,;17.28,-42.5,)|

BDBM50359420

Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1

BDBM50359436

Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1

BDBM50359437

Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1

BDBM50359424

Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1

BDBM50359426

Oc1c2CCCn2c(=O)n1CCCCNCCc1cccc2ccccc12

BDBM50359421

Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|

BDBM50359422

Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|

BDBM50359425

Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1

BDBM50359423

Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2n1

BDBM50359438

Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1

BDBM50359434

Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1

BDBM50359431

Oc1c2CCCn2c(=O)n1Cc1ccc(CNCC2CCc3ccccc3O2)cc1

BDBM50359430

Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1

BDBM50359417

Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1

BDBM50359416

Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM160717

Oc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.03,-5.33,;-1.94,-4.24,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)|

BDBM50004917

Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1

BDBM50004822

Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O

BDBM50129952

Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|

BDBM50325822

Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|

BDBM50299665

Oc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21

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,)|

BDBM50449333

Oc1cccc2oc(CCc3ccccc3)cc(=O)c12

BDBM50456744

Oc1ccccc1-c1nc(C=O)cs1

BDBM50456727

Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|

BDBM50456740

Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|

BDBM50359427

Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1

BDBM50359428

Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1

BDBM50359429

Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1

BDBM50359439

Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1

BDBM22914

S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

BDBM50001028

[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|

BDBM50242259

[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|

BDBM50573968

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1

BDBM50017721

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|

BDBM85098

[#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O

BDBM50001775

[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1

BDBM50459894

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

BDBM82474

[#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1cccc(Cl)c1 |w:6.6|

BDBM50419045

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1ccccc1

BDBM50053608

[#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1

BDBM50204306

[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|

BDBM50211197

[H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2|

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|

BDBM50503048

[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|

BDBM50503049

[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|

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|

BDBM50456723

[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|

BDBM50204312

[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|

BDBM50155252

[H][C@]12CC[C@]([H])(CC(C1)OC(=O)c1cc(Cl)cc(Cl)c1)N2C |TLB:9:7:20:3.2|

BDBM22418

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|

BDBM35256

[H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|

BDBM50229715

[H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|

BDBM36022

[NH3+]CC(O)c1ccc(O)cc1

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|