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445 SMILES Strings for N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)

Compound NameSMILES String
BDBM10404 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
BDBM53950 COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
BDBM50007674 C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
BDBM50032651 C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
BDBM50030386 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
BDBM50062599 CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|
BDBM50063870 O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(O)(CC1)c1ccc(F)cc1
BDBM50063876 Oc1ccc2C[C@@H](COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
BDBM50080016 Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
BDBM50080029 C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|
BDBM50083351 CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
BDBM50103133 Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
BDBM50124907 NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
BDBM50124908 COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9|
BDBM50132481 CCCCCNC1=NCCN1OCc1ccccc1 |t:6|
BDBM50132483 CCCCCNC1=NCCN1OCCc1ccccc1 |t:6|
BDBM50134648 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(COc2ccccc2)CC1
BDBM50134649 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CCc2ccccc2)CC1
BDBM50134650 Oc1cccc2cc([nH]c12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50134651 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50134652 Oc1cc(O)c2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50134653 Oc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50134654 Oc1cc(O)c2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50134655 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1
BDBM50134656 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)OCc1ccccc1
BDBM50134657 Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50143890 Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
BDBM50189380 CS(=O)(=O)Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50189383 COc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
BDBM50189384 Cc1ccccc1CC1CCN(CC1)C(=O)c1nc2ccc(O)cc2[nH]1
BDBM50189385 Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50189387 Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
BDBM50189388 Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
BDBM50189389 Oc1cccc2[nH]c(nc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50189390 Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50189391 Cc1ccc(OC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
BDBM50204873 O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3[nH]ncc23)[nH]1
BDBM50204874 OC(C1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1)c1ccccc1
BDBM50204875 Nc1cc2nc([nH]c2cc1N)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204876 Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204877 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50204878 O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(NCc3ccccc3)cccc2[nH]1
BDBM50204879 Cc1ccc(CC2CCN(CC2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
BDBM50204880 Oc1ccc2oc(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204881 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
BDBM50204882 Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
BDBM50204883 Cc1ccc(OC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)cc1
BDBM50204884 Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
BDBM50204885 CS(=O)(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204886 O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3cn[nH]c23)[nH]1
BDBM50204887 Cc1cccc(CC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)c1
BDBM50204888 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
BDBM50204889 CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204890 COc1ccc(CC2CCCN(C2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
BDBM50204891 O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3[nH]cnc23)[nH]1
BDBM50204892 O=C(N1CCC(Cc2ccccc2)CC1)c1nc2c([nH]1)c1oc(=O)[nH]c1c1oc(=O)[nH]c21
BDBM50204893 CS(=O)(=O)Nc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204894 Nc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204895 Nc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204896 COc1ccc(CC2CCCCN2C(=O)c2cc3ccc(O)cc3[nH]2)cc1
BDBM50204897 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)Nc1ccccc1
BDBM50204898 Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccccc1
BDBM50204899 Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204900 Oc1ccc2sc(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204901 O=C(N1CCC(Cc2ccccc2)CC1)c1cc2cc3[nH]c(=O)oc3cc2[nH]1
BDBM50204902 O=C(N1CCC(Cc2ccccc2)CC1)c1nc2cc3oc(=O)[nH]c3cc2[nH]1
BDBM50204903 Oc1ccc2cc([nH]c2c1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204904 COc1ccccc1CC1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
BDBM50204861 COc1cccc(CC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)c1
BDBM50204862 CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
BDBM50204863 Oc1ccc(O)c2[nH]c(nc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204864 Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
BDBM50204865 Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50204866 Oc1ccc2cc(oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204867 Oc1ccc2cc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
BDBM50204868 CS(=O)(=O)Nc1cc2nc([nH]c2cc1NS(C)(=O)=O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204869 Cn1c(cc2ccc(O)cc12)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50204870 Oc1ccc2cc([nH]c2c1)C(=N)N1CCC(Cc2ccccc2)CC1
BDBM50204871 COc1ccc(CC2CCN(CC2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
BDBM50204872 Oc1ccc2nc(sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50220588 COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1 |w:17.19,15.17|
BDBM50220589 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(COc2ccccc2)c1 |w:2.2,1.0|
BDBM50220590 Oc1ccc(cc1)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(12.9,-11.25,;14.23,-10.47,;14.23,-8.93,;15.56,-8.16,;16.89,-8.93,;16.9,-10.46,;15.58,-11.24,;18.23,-8.16,;18.22,-6.62,;19.56,-8.92,;20.89,-8.15,;22.23,-8.91,;22.23,-10.45,;23.56,-11.22,;24.89,-10.45,;26.22,-11.23,;27.55,-10.46,;28.89,-11.23,;30.22,-10.46,;31.55,-11.24,;32.89,-10.47,;32.89,-8.93,;31.55,-8.16,;30.22,-8.93,;24.89,-8.91,;23.56,-8.14,)|
BDBM50220591 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(17.4,-25.44,;17.41,-26.98,;18.74,-27.74,;20.08,-26.97,;21.41,-27.74,;21.41,-29.28,;22.74,-30.04,;24.07,-29.28,;25.4,-30.05,;26.74,-29.28,;28.07,-30.05,;29.41,-29.28,;30.74,-30.06,;32.07,-29.29,;32.08,-27.75,;30.73,-26.98,;29.4,-27.75,;24.07,-27.74,;22.74,-26.96,;16.08,-27.75,;14.67,-27.13,;13.64,-28.28,;14.42,-29.61,;15.92,-29.28,)|
BDBM50220592 Oc1ccc(cc1)C(=O)NCc1cccc(OCCc2ccccc2)c1
BDBM50220593 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(-3.93,-34.59,;-3.93,-36.13,;-2.59,-36.89,;-1.26,-36.12,;.08,-36.89,;1.41,-36.11,;2.74,-36.89,;2.74,-38.43,;4.07,-39.2,;5.4,-38.43,;6.74,-39.2,;6.73,-40.74,;8.06,-41.51,;9.4,-40.74,;9.39,-39.19,;8.06,-38.43,;1.41,-39.19,;.08,-38.43,;-5.26,-36.9,;-6.59,-36.13,;-7.92,-36.9,;-7.92,-38.44,;-9.25,-39.22,;-6.57,-39.21,;-5.25,-38.43,)|
BDBM50220594 Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-5.39,-42.57,;-5.07,-44.07,;-6.1,-45.22,;-5.32,-46.55,;-3.82,-46.23,;-2.67,-47.25,;-3.66,-44.7,;-2.32,-43.93,;-2.33,-42.39,;-.99,-44.69,;.34,-43.92,;1.68,-44.68,;3.01,-43.91,;4.34,-44.68,;4.34,-46.22,;5.67,-47,;7.01,-46.23,;8.34,-47,;8.33,-48.54,;9.66,-49.31,;11,-48.54,;11,-46.99,;9.66,-46.23,;3.01,-46.99,;1.68,-46.22,)|
BDBM50220595 Oc1c(F)cc(cc1F)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:13.13,16.17,(13.63,-21.21,;14.96,-20.43,;14.96,-18.89,;13.62,-18.13,;16.29,-18.12,;17.63,-18.89,;17.63,-20.42,;16.31,-21.2,;16.32,-22.74,;18.96,-18.12,;18.95,-16.58,;20.29,-18.88,;21.62,-18.11,;22.96,-18.88,;22.96,-20.42,;24.29,-21.18,;25.62,-20.42,;26.95,-21.19,;28.29,-20.42,;29.62,-21.19,;30.95,-20.42,;32.29,-21.2,;33.62,-20.43,;33.62,-18.89,;32.28,-18.12,;30.95,-18.89,;25.62,-18.88,;24.29,-18.1,)|
BDBM50220596 Nc1[nH]ncc1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:10.10,13.14,(-6.27,-33.66,;-5.94,-35.16,;-6.97,-36.31,;-6.19,-37.64,;-4.69,-37.31,;-4.53,-35.78,;-3.19,-35.01,;-3.2,-33.47,;-1.86,-35.78,;-.53,-35,;.81,-35.77,;2.14,-34.99,;3.47,-35.77,;3.47,-37.31,;4.8,-38.08,;6.13,-37.31,;7.47,-38.09,;7.46,-39.62,;8.79,-40.39,;10.13,-39.63,;10.12,-38.08,;8.79,-37.31,;2.14,-38.07,;.81,-37.31,)|
BDBM50220597 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |wU:4.3,7.7,(-1.62,4.65,;-1.62,3.11,;-.28,2.35,;1.05,3.12,;2.39,2.36,;2.39,.82,;3.72,.05,;5.05,.82,;6.38,.04,;7.71,.81,;9.05,.04,;10.38,.81,;11.71,.03,;13.05,.8,;13.05,2.34,;11.71,3.11,;10.38,2.34,;5.05,2.36,;3.72,3.13,;-2.95,2.34,;-2.94,.81,;-4.26,.03,;-5.61,.8,;-7.08,.33,;-7.99,1.58,;-7.07,2.83,;-5.6,2.35,;-4.28,3.11,)|
BDBM50220598 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)C1NNC(=O)C=C1 |w:19.20,wU:4.3,7.7,c:26,(18.91,-43.44,;18.92,-44.98,;20.25,-45.74,;21.59,-44.97,;22.92,-45.73,;22.92,-47.27,;24.25,-48.04,;25.58,-47.27,;26.91,-48.05,;28.25,-47.28,;29.58,-48.05,;30.91,-47.28,;32.25,-48.06,;33.58,-47.29,;33.58,-45.75,;32.24,-44.98,;30.91,-45.75,;25.58,-45.73,;24.25,-44.96,;17.59,-45.75,;17.6,-47.29,;16.26,-48.06,;14.92,-47.29,;13.59,-48.05,;14.92,-45.75,;16.25,-44.98,)|
BDBM50220599 Oc1c(F)cc(cc1F)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:13.13,16.17,(-9.57,-19.5,;-8.24,-18.72,;-8.24,-17.18,;-9.58,-16.42,;-6.91,-16.41,;-5.57,-17.18,;-5.57,-18.71,;-6.89,-19.49,;-6.88,-21.03,;-4.24,-16.41,;-4.25,-14.87,;-2.91,-17.17,;-1.58,-16.4,;-.24,-17.17,;1.09,-16.39,;2.42,-17.17,;2.42,-18.71,;3.75,-19.48,;5.08,-18.71,;6.42,-19.48,;6.41,-21.02,;7.74,-21.79,;9.08,-21.02,;9.07,-19.47,;7.74,-18.71,;1.09,-19.47,;-.24,-18.71,)|
BDBM50220600 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(-3.78,-5.13,;-3.78,-6.67,;-2.44,-7.44,;-1.11,-6.66,;.23,-7.43,;1.55,-6.65,;2.88,-7.43,;2.88,-8.97,;4.22,-9.74,;5.55,-8.97,;6.88,-9.74,;6.88,-11.28,;8.21,-12.05,;9.54,-11.28,;9.54,-9.74,;8.21,-8.97,;1.55,-9.73,;.23,-8.97,;-5.12,-7.44,;-6.52,-6.82,;-7.55,-7.97,;-6.78,-9.3,;-5.27,-8.97,)|
BDBM50220601 Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1
BDBM50220602 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(16.39,-6.18,;16.39,-7.72,;17.73,-8.49,;19.06,-7.71,;20.39,-8.48,;20.39,-10.02,;21.72,-10.78,;23.05,-10.02,;24.38,-10.79,;25.72,-10.02,;27.05,-10.79,;28.39,-10.03,;29.72,-10.8,;31.05,-10.03,;31.06,-8.49,;29.71,-7.72,;28.39,-8.49,;23.05,-8.48,;21.72,-7.7,;15.06,-8.49,;13.65,-7.87,;12.62,-9.02,;13.4,-10.35,;14.9,-10.03,)|
BDBM50220603 Oc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-9.26,-9.14,;-7.93,-8.36,;-7.94,-6.82,;-6.61,-6.05,;-5.27,-6.82,;-5.26,-8.35,;-6.59,-9.13,;-3.94,-6.05,;-3.95,-4.51,;-2.61,-6.81,;-1.27,-6.04,;.06,-6.81,;1.39,-6.03,;2.72,-6.81,;2.72,-8.35,;4.05,-9.12,;5.39,-8.35,;6.72,-9.12,;6.71,-10.66,;8.04,-11.43,;9.38,-10.66,;9.38,-9.11,;8.05,-8.35,;1.39,-9.11,;.06,-8.35,)|
BDBM50220604 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(-3.28,-24.38,;-3.28,-25.92,;-1.94,-26.69,;-.61,-25.91,;.72,-26.68,;2.05,-25.9,;3.38,-26.68,;3.38,-28.22,;4.71,-28.99,;6.05,-28.22,;7.38,-28.99,;7.37,-30.53,;8.7,-31.3,;10.04,-30.53,;10.04,-28.99,;8.71,-28.22,;2.05,-28.98,;.72,-28.22,;-4.62,-26.69,;-6.03,-26.07,;-7.05,-27.22,;-6.28,-28.55,;-4.77,-28.22,)|
BDBM50220605 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)C1NNC(=O)C=C1 |w:18.19,wU:4.3,7.7,c:25,(-3.75,-42.93,;-3.75,-44.47,;-2.41,-45.24,;-1.08,-44.46,;.26,-45.23,;1.59,-44.45,;2.91,-45.23,;2.91,-46.77,;4.25,-47.54,;5.58,-46.77,;6.91,-47.54,;6.91,-49.08,;8.24,-49.85,;9.57,-49.08,;9.57,-47.54,;8.24,-46.77,;1.59,-47.53,;.26,-46.77,;-5.08,-45.25,;-5.07,-46.79,;-6.41,-47.56,;-7.75,-46.79,;-9.08,-47.56,;-7.74,-45.25,;-6.42,-44.48,)|
BDBM50220606 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(17.52,-15.71,;17.53,-17.25,;18.86,-18.01,;20.19,-17.24,;21.53,-18.01,;21.53,-19.55,;22.86,-20.31,;24.19,-19.55,;25.52,-20.32,;26.85,-19.55,;28.19,-20.32,;29.52,-19.55,;30.85,-20.33,;32.19,-19.56,;32.19,-18.02,;30.85,-17.25,;29.52,-18.02,;24.19,-18.01,;22.86,-17.23,;16.2,-18.02,;14.79,-17.4,;13.76,-18.55,;14.53,-19.88,;16.04,-19.55,)|
BDBM50220607 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:4.3,7.7,(-2.62,-24.66,;-2.61,-26.2,;-1.28,-26.97,;.06,-26.19,;1.39,-26.96,;2.72,-26.18,;4.05,-26.96,;4.05,-28.5,;5.38,-29.27,;6.72,-28.5,;8.05,-29.27,;8.04,-30.81,;9.37,-31.58,;10.71,-30.81,;10.71,-29.27,;9.38,-28.5,;2.72,-29.26,;1.39,-28.5,;-3.94,-26.97,;-3.93,-28.5,;-5.26,-29.28,;-6.6,-28.52,;-7.93,-29.3,;-9.27,-28.53,;-10.6,-29.31,;-9.28,-26.99,;-7.94,-26.22,;-6.61,-26.97,;-5.28,-26.2,)|
BDBM50220608 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:7.7,4.3,(21.1,-26.08,;21.1,-27.62,;22.44,-28.39,;23.77,-27.62,;25.11,-28.38,;25.11,-29.92,;26.44,-30.68,;27.76,-29.92,;29.1,-30.69,;30.43,-29.92,;31.76,-30.7,;33.1,-29.93,;34.43,-30.7,;35.77,-29.94,;35.77,-28.4,;34.43,-27.62,;33.1,-28.4,;27.76,-28.38,;26.44,-27.6,;19.77,-28.39,;19.78,-29.93,;18.46,-30.7,;17.11,-29.94,;15.78,-30.71,;14.45,-29.94,;13.11,-30.71,;14.45,-28.4,;15.78,-27.63,;17.11,-28.4,;18.44,-27.62,)|
BDBM50220609 Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(19.66,-44.61,;19.98,-46.12,;18.95,-47.26,;19.73,-48.59,;21.23,-48.27,;22.38,-49.3,;21.39,-46.74,;22.72,-45.96,;22.72,-44.42,;24.06,-46.73,;25.39,-45.96,;26.72,-46.72,;26.72,-48.26,;28.05,-49.02,;29.38,-48.26,;30.72,-49.03,;32.05,-48.26,;33.38,-49.04,;34.72,-48.27,;36.05,-49.04,;37.38,-48.28,;37.39,-46.74,;36.05,-45.96,;34.72,-46.74,;29.38,-46.72,;28.05,-45.94,)|
BDBM50220610 O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(-4.35,-14.31,;-4.35,-15.85,;-3.01,-16.61,;-1.68,-15.84,;-.34,-16.61,;.99,-15.83,;2.32,-16.61,;2.32,-18.15,;3.65,-18.92,;4.98,-18.15,;6.32,-18.92,;6.31,-20.46,;7.64,-21.23,;8.98,-20.46,;8.97,-18.91,;7.64,-18.15,;.99,-18.91,;-.34,-18.15,;-5.68,-16.62,;-7.09,-16,;-8.12,-17.14,;-7.35,-18.47,;-5.84,-18.15,)|
BDBM50220611 O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(20.2,-34.76,;20.2,-36.3,;21.54,-37.06,;22.87,-36.29,;24.2,-37.05,;24.2,-38.59,;25.53,-39.36,;26.86,-38.59,;28.2,-39.37,;29.53,-38.6,;30.86,-39.37,;32.2,-38.6,;33.53,-39.38,;34.86,-38.61,;34.87,-37.07,;33.53,-36.3,;32.2,-37.07,;26.86,-37.05,;25.53,-36.28,;18.87,-37.07,;17.54,-36.3,;16.2,-37.07,;16.21,-38.61,;14.88,-39.39,;17.55,-39.38,;18.88,-38.6,)|
BDBM50220612 Nc1[nH]ncc1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:10.10,13.14,(18.38,-36.74,;18.71,-38.24,;17.68,-39.39,;18.45,-40.72,;19.96,-40.4,;20.12,-38.87,;21.45,-38.09,;21.44,-36.55,;22.78,-38.86,;24.11,-38.08,;25.45,-38.85,;25.45,-40.39,;26.78,-41.15,;28.11,-40.39,;29.44,-41.16,;30.77,-40.39,;32.11,-41.17,;33.44,-40.4,;34.77,-41.17,;36.11,-40.41,;36.11,-38.86,;34.77,-38.09,;33.44,-38.86,;28.11,-38.85,;26.78,-38.07,)|
BDBM50220572 CC(C(O)c1ccc(O)c(C)c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
BDBM50220573 CC(C(O)c1ccc(O)c(Cl)c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
BDBM50220574 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(C)cc1 |w:2.2,1.0|
BDBM50220712 Cc1cc(O)ccc1[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(34.08,-28.89,;34.09,-30.43,;32.77,-31.2,;32.76,-32.76,;31.44,-33.52,;34.11,-33.52,;35.44,-32.74,;35.42,-31.2,;36.76,-30.43,;36.75,-31.96,;36.76,-28.89,;38.08,-28.1,;39.43,-28.89,;39.43,-30.43,;38.08,-31.2,;40.76,-28.12,;42.1,-28.89,;42.1,-30.44,;43.44,-28.13,;44.76,-28.91,;46.1,-28.15,;47.42,-28.93,;48.77,-28.18,;48.77,-26.63,;47.45,-25.85,;46.12,-26.61,)|
BDBM50220713 Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(-7.33,-40.77,;-7.32,-42.31,;-8.64,-43.08,;-8.65,-44.63,;-9.97,-45.4,;-7.3,-45.4,;-5.97,-44.62,;-5.99,-43.08,;-4.65,-42.31,;-4.65,-40.77,;-3.32,-39.98,;-1.98,-40.77,;-1.98,-42.31,;-3.32,-43.08,;-.65,-40,;.69,-40.77,;.69,-42.32,;2.03,-40.01,;3.35,-40.79,;4.69,-40.03,;6.01,-40.81,;7.36,-40.05,;7.36,-38.51,;6.04,-37.73,;4.71,-38.49,)|
BDBM50220714 Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(-10.78,-55,;-9.45,-54.23,;-9.45,-52.68,;-8.13,-51.91,;-6.79,-52.68,;-6.78,-54.21,;-8.1,-54.99,;-5.45,-51.91,;-5.46,-53.44,;-5.45,-50.37,;-4.13,-49.58,;-2.79,-50.37,;-2.79,-51.91,;-4.13,-52.68,;-1.45,-49.6,;-.12,-50.37,;-.12,-51.91,;1.23,-49.61,;2.55,-50.39,;3.89,-49.63,;5.21,-50.4,;6.55,-49.65,;6.56,-48.11,;5.24,-47.33,;3.9,-48.09,)|
BDBM50220715 Cc1cc(ccc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(-9.08,-31.78,;-7.75,-32.55,;-6.43,-31.78,;-5.09,-32.56,;-5.08,-34.09,;-6.4,-34.87,;-7.75,-34.11,;-9.08,-34.87,;-3.75,-31.78,;-3.76,-33.31,;-3.75,-30.24,;-2.43,-29.45,;-1.08,-30.24,;-1.08,-31.78,;-2.43,-32.55,;.25,-29.47,;1.58,-30.24,;1.59,-31.79,;2.93,-29.48,;4.25,-30.27,;5.59,-29.5,;6.91,-30.28,;8.26,-29.53,;8.26,-27.98,;6.94,-27.21,;5.61,-27.97,)|
BDBM50220716 Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:7.7,wD:10.14,(-10.14,-2.71,;-8.81,-1.94,;-8.81,-.39,;-7.49,.38,;-6.15,-.39,;-6.14,-1.92,;-7.46,-2.7,;-4.81,.38,;-4.81,1.92,;-3.49,2.71,;-2.14,1.92,;-2.14,.38,;-3.49,-.39,;-.81,2.69,;.52,1.92,;.52,.38,;1.87,2.68,;3.19,1.9,;4.54,2.66,;5.86,1.89,;7.19,2.65,;7.21,4.19,;5.87,4.97,;4.54,4.2,)|
BDBM50220717 Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(16.02,-1.74,;17.5,-1.27,;17.5,.28,;18.82,1.06,;20.17,.28,;20.18,-1.25,;18.85,-2.03,;21.5,1.06,;21.49,-.47,;21.5,2.6,;22.83,3.39,;24.16,2.6,;24.16,1.06,;22.83,.29,;25.5,3.37,;26.83,2.6,;26.83,1.06,;28.17,3.36,;29.5,2.58,;30.83,3.35,;32.16,2.56,;33.49,3.32,;33.51,4.86,;32.18,5.64,;30.85,4.89,)|
BDBM50220718 Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1 |wU:7.7,wD:10.14,(30.49,-.92,;31.82,-.15,;31.82,1.4,;33.14,2.17,;34.48,1.4,;34.49,-.14,;33.17,-.92,;35.82,2.17,;35.82,3.71,;37.14,4.5,;38.48,3.71,;38.48,2.17,;37.14,1.4,;39.82,4.48,;41.15,3.71,;41.15,2.16,;42.5,4.47,;43.82,3.69,;45.16,4.45,;45.17,5.99,;46.5,6.75,;47.83,5.97,;47.82,4.43,;46.48,3.67,)|
BDBM50220719 Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1 |wU:7.7,wD:10.14,(10.18,-1.13,;11.51,-.36,;11.51,1.19,;12.83,1.96,;14.17,1.19,;14.18,-.34,;12.86,-1.12,;15.51,1.97,;15.51,3.51,;16.83,4.29,;18.17,3.51,;18.17,1.97,;16.83,1.2,;19.51,4.27,;20.84,3.51,;20.84,1.96,;22.18,4.27,;23.51,3.49,;24.85,4.25,;24.85,5.79,;26.18,6.55,;27.52,5.77,;27.51,4.23,;26.17,3.47,)|
BDBM50220720 O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1c[nH]c2nc(=O)oc2c1 |wD:1.0,4.7,(16.47,-54.83,;16.48,-53.3,;16.48,-51.76,;17.81,-50.98,;19.14,-51.76,;19.14,-53.3,;17.81,-54.07,;20.48,-51,;21.81,-51.77,;21.81,-53.31,;23.16,-51.01,;24.48,-51.79,;25.81,-51.02,;27.13,-51.8,;28.47,-51.05,;28.49,-49.51,;27.17,-48.73,;25.83,-49.48,;15.14,-54.08,;15.16,-55.61,;13.83,-56.39,;12.47,-55.63,;11.01,-56.1,;10.1,-54.85,;8.55,-54.85,;11.01,-53.6,;12.48,-54.08,;13.81,-53.31,)|
BDBM50220721 O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cnc[nH]1 |wD:1.0,4.7,(-5.23,-14.74,;-5.22,-13.21,;-5.22,-11.67,;-3.9,-10.88,;-2.57,-11.67,;-2.57,-13.21,;-3.9,-13.98,;-1.23,-10.9,;.1,-11.67,;.11,-13.22,;1.45,-10.91,;2.77,-11.69,;4.11,-10.93,;5.43,-11.72,;6.77,-10.96,;6.78,-9.42,;5.46,-8.64,;4.13,-9.39,;-6.56,-13.98,;-6.56,-15.52,;-8.02,-16,;-8.93,-14.76,;-8.03,-13.52,)|
BDBM50220722 Cc1cc(ccc1O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(10.84,-32.43,;12.18,-33.2,;13.5,-32.43,;14.84,-33.21,;14.85,-34.74,;13.53,-35.52,;12.18,-34.76,;10.85,-35.52,;16.18,-32.43,;16.18,-30.89,;17.5,-30.1,;18.84,-30.89,;18.84,-32.43,;17.5,-33.2,;20.18,-30.12,;21.51,-30.89,;21.51,-32.44,;22.86,-30.13,;24.18,-30.91,;25.52,-30.15,;26.84,-30.93,;28.18,-30.18,;28.19,-28.63,;26.87,-27.86,;25.53,-28.62,)|
BDBM50220723 Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1 |w:16.17,wU:7.7,wD:10.14,(35.06,-11.3,;36.39,-10.54,;36.39,-8.98,;37.71,-8.22,;39.05,-8.99,;39.06,-10.52,;37.74,-11.3,;40.39,-8.21,;40.39,-6.67,;41.71,-5.88,;43.05,-6.67,;43.05,-8.21,;41.71,-8.98,;44.39,-5.9,;45.72,-6.67,;45.72,-8.22,;47.07,-5.91,;48.39,-6.69,;49.73,-5.93,;51.05,-6.71,;52.39,-5.96,;52.4,-4.41,;51.08,-3.64,;49.74,-4.39,;48.41,-3.61,;47.07,-4.37,)|
BDBM50220724 CS(=O)(=O)Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:11.12,15.19,(-9.1,-.63,;-8.01,-1.73,;-9.07,-2.85,;-6.94,-.62,;-6.86,-2.76,;-5.39,-2.29,;-5.39,-.74,;-4.06,.03,;-2.72,-.74,;-2.71,-2.27,;-4.03,-3.05,;-1.38,.04,;-1.39,-1.5,;-1.38,1.58,;-.06,2.37,;1.28,1.58,;1.28,.04,;-.06,-.73,;2.61,2.34,;3.95,1.57,;3.95,.03,;5.29,2.33,;6.61,1.55,;7.95,2.31,;9.27,1.53,;10.61,2.29,;10.62,3.83,;9.31,4.6,;7.97,3.85,)|
BDBM50220725 Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1 |wU:13.16,wD:10.9,(9.08,-7.45,;7.55,-7.45,;6.65,-6.21,;5.19,-6.67,;5.18,-8.21,;3.84,-8.97,;2.51,-8.19,;1.18,-8.95,;1.18,-10.5,;-.16,-8.18,;-1.49,-8.96,;-2.83,-8.17,;-4.16,-8.96,;-4.16,-10.5,;-2.83,-11.27,;-1.49,-10.5,;-5.49,-11.27,;-6.83,-10.5,;-8.15,-11.26,;-8.16,-12.82,;-9.48,-13.59,;-6.81,-13.58,;-5.48,-12.81,;6.64,-8.7,)|
BDBM50220726 Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(12.39,-46.09,;13.72,-45.33,;15.07,-46.09,;16.39,-45.31,;16.38,-43.78,;15.04,-43.01,;13.72,-43.77,;12.38,-43,;17.72,-43,;17.71,-44.53,;17.72,-41.46,;19.04,-40.67,;20.38,-41.46,;20.38,-43,;19.04,-43.77,;21.72,-40.69,;23.05,-41.46,;23.05,-43.01,;24.4,-40.7,;25.72,-41.49,;27.06,-40.72,;28.37,-41.5,;29.72,-40.75,;29.73,-39.2,;28.41,-38.43,;27.07,-39.19,)|
BDBM50220727 Oc1ccc(cc1F)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(31.75,-43.6,;33.08,-42.83,;34.43,-43.59,;35.75,-42.81,;35.74,-41.28,;34.4,-40.51,;33.08,-41.28,;31.74,-40.51,;37.08,-40.5,;37.08,-38.96,;38.4,-38.18,;39.74,-38.96,;39.74,-40.5,;38.4,-41.27,;41.08,-38.2,;42.41,-38.97,;42.41,-40.51,;43.76,-38.21,;45.08,-38.99,;46.42,-38.23,;47.74,-39,;49.08,-38.25,;49.09,-36.7,;47.77,-35.93,;46.43,-36.69,)|
BDBM50220728 Cc1cc(ncc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(30.85,-52.95,;32.18,-53.72,;33.5,-52.95,;34.84,-53.72,;34.85,-55.26,;33.53,-56.04,;32.18,-55.27,;30.85,-56.04,;36.18,-52.95,;36.17,-54.48,;36.18,-51.41,;37.5,-50.62,;38.85,-51.41,;38.85,-52.95,;37.5,-53.72,;40.18,-50.64,;41.51,-51.41,;41.52,-52.95,;42.86,-50.65,;44.18,-51.43,;45.52,-50.67,;46.84,-51.45,;48.19,-50.69,;48.19,-49.15,;46.87,-48.37,;45.54,-49.13,)|
BDBM50220729 Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(10.84,-24.52,;12.17,-23.76,;12.17,-22.2,;13.49,-21.43,;14.83,-22.2,;14.84,-23.74,;13.52,-24.52,;16.17,-21.43,;16.15,-22.96,;16.17,-19.89,;17.49,-19.1,;18.83,-19.89,;18.83,-21.43,;17.49,-22.2,;20.17,-19.12,;21.5,-19.89,;21.5,-21.44,;22.85,-19.13,;24.17,-19.91,;25.51,-19.15,;26.82,-19.93,;28.17,-19.18,;28.17,-17.63,;26.86,-16.86,;25.52,-17.61,)|
BDBM50220731 Cn1c(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)nc2ccccc12 |wU:11.14,wD:8.7,(27.83,-9.24,;27.07,-7.91,;25.61,-7.43,;24.27,-8.19,;22.94,-7.41,;21.6,-8.17,;21.6,-9.72,;20.26,-7.4,;18.93,-8.17,;17.58,-7.38,;16.25,-8.17,;16.25,-9.71,;17.58,-10.48,;18.93,-9.71,;14.92,-10.49,;13.58,-9.71,;12.24,-10.49,;12.24,-12.04,;10.91,-12.81,;13.59,-12.8,;14.93,-12.03,;25.61,-5.89,;27.08,-5.42,;27.84,-3.92,;29.37,-3.9,;30.15,-5.23,;29.39,-6.56,;27.85,-6.57,)|
BDBM50220732 O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cn[nH]c1 |wD:1.0,4.7,(16.71,-11.57,;16.72,-10.04,;16.72,-8.5,;18.05,-7.71,;19.38,-8.5,;19.38,-10.04,;18.05,-10.81,;20.72,-7.73,;22.05,-8.51,;22.05,-10.05,;23.39,-7.74,;24.72,-8.53,;26.05,-7.77,;27.38,-8.55,;28.72,-7.79,;28.73,-6.25,;27.4,-5.47,;26.07,-6.23,;15.39,-10.81,;13.92,-10.35,;13.02,-11.59,;13.93,-12.83,;15.39,-12.36,)|
BDBM50220734 CN(C)C(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |w:3.3,wU:17.21,wD:14.14,(2.93,-17.32,;1.59,-18.09,;.25,-17.31,;1.59,-19.63,;2.91,-20.4,;4.25,-19.64,;5.57,-20.43,;6.91,-19.67,;6.92,-18.13,;5.6,-17.35,;4.26,-18.1,;.24,-20.39,;.24,-21.94,;-1.09,-19.62,;-2.43,-20.39,;-3.77,-19.6,;-5.09,-20.39,;-5.09,-21.93,;-3.77,-22.7,;-2.43,-21.93,;-6.43,-22.7,;-7.77,-21.93,;-9.09,-22.7,;-9.09,-24.25,;-10.42,-25.01,;-7.74,-25.02,;-6.42,-24.24,)|
BDBM50220735 O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1ccc2nc[nH]c2c1 |wD:1.0,4.7,(39.84,-12.54,;39.85,-11.01,;39.85,-9.47,;41.17,-8.69,;42.52,-9.47,;42.52,-11.01,;41.17,-11.78,;43.85,-8.7,;45.19,-9.47,;45.19,-11.01,;46.52,-8.7,;47.84,-9.49,;49.18,-8.73,;50.5,-9.51,;51.85,-8.76,;51.85,-7.21,;50.53,-6.44,;49.21,-7.19,;38.51,-11.78,;38.52,-13.33,;37.2,-14.11,;35.86,-13.36,;34.4,-13.86,;33.47,-12.62,;34.35,-11.35,;35.83,-11.81,;37.17,-11.02,)|
BDBM50220575 CC(C(O)c1ccc(O)c(c1)-c1ccccc1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220576 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220577 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(F)c1 |w:2.2,1.0|
BDBM50220578 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc2CCOCc2c1 |w:2.2,1.0|
BDBM50220579 CC(C(O)c1ccc(O)c(c1)C(C)(C)C)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220580 CC(C(O)c1ccc(O)cc1C)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
BDBM50220581 CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220582 CC(C(O)c1ccc2NC(=O)N(C)Cc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220583 CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(Cl)cc1 |w:2.2,1.0|
BDBM50220584 CC(C(O)c1ccc2NC(=O)NCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
BDBM50220585 CC(C(O)c1ccc2NC(=O)OCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
BDBM50220586 OC(CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1 |w:1.0|
BDBM50220587 CC(C(O)c1ccc2[nH]c(=O)oc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
BDBM50241126 Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50241127 Cc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
BDBM50241128 Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
BDBM50241129 Cc1ccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
BDBM50242446 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(O)=O |r,wU:136.143,112.123,95.105,87.89,64.74,43.49,31.32,4.4,wD:144.152,124.135,107.109,155.158,76.85,52.62,35.40,159.162,21.28,8.13,2.2,(62.58,-11.62,;62.58,-13.15,;63.91,-13.93,;65.24,-13.15,;63.91,-15.47,;62.58,-16.24,;61.25,-15.47,;61.25,-13.93,;59.91,-16.24,;59.91,-17.77,;61.25,-18.55,;61.25,-20.08,;62.58,-20.86,;62.58,-22.4,;58.59,-15.47,;57.25,-16.24,;57.25,-17.77,;55.92,-15.47,;54.58,-16.24,;53.25,-15.47,;53.25,-13.93,;51.92,-16.24,;51.92,-17.77,;53.67,-18.68,;55.03,-18.01,;56.13,-19.12,;55.37,-20.44,;53.88,-20.2,;50.58,-15.47,;49.25,-16.24,;49.25,-17.77,;47.91,-15.47,;46.58,-16.24,;45.25,-15.47,;45.25,-13.93,;43.91,-16.24,;43.91,-17.77,;45.25,-18.55,;45.25,-20.08,;46.58,-17.77,;42.59,-15.47,;41.24,-16.24,;41.24,-17.77,;39.92,-15.47,;39.92,-13.93,;41.24,-13.15,;41.24,-11.62,;39.92,-10.85,;42.59,-10.85,;38.57,-16.24,;37.25,-15.47,;37.25,-13.93,;35.92,-16.24,;35.92,-17.77,;37.78,-18.86,;39.11,-18.09,;40.44,-18.86,;40.44,-20.38,;41.76,-21.16,;39.11,-21.15,;37.78,-20.38,;34.58,-15.47,;33.25,-16.24,;33.25,-17.77,;31.91,-15.47,;31.91,-13.92,;32.71,-12.6,;31.96,-11.26,;30.42,-11.23,;32.76,-9.93,;34.26,-12.64,;35.01,-13.98,;35.06,-11.31,;30.58,-16.24,;29.24,-15.47,;29.24,-13.93,;27.91,-16.24,;27.91,-17.77,;29.24,-18.55,;29.24,-20.08,;30.58,-20.86,;30.58,-22.4,;29.24,-23.16,;31.91,-23.16,;26.58,-15.47,;25.24,-16.24,;25.24,-17.77,;23.91,-15.47,;22.57,-16.24,;21.25,-15.47,;21.25,-13.93,;19.92,-16.24,;18.58,-15.47,;17.25,-16.24,;17.25,-17.77,;15.92,-15.47,;15.92,-13.93,;16.71,-12.61,;15.97,-11.26,;14.43,-11.22,;16.77,-9.94,;18.26,-12.64,;19,-13.99,;19.06,-11.31,;14.58,-16.24,;13.25,-15.47,;13.25,-13.93,;11.91,-16.24,;11.91,-17.77,;10.58,-15.47,;9.24,-16.24,;9.24,-17.77,;7.91,-15.47,;7.91,-13.91,;7.16,-12.57,;7.94,-11.25,;7.2,-9.92,;5.67,-9.9,;4.92,-8.54,;4.88,-11.21,;5.62,-12.55,;6.59,-16.24,;5.25,-15.47,;5.25,-13.93,;3.92,-16.24,;3.91,-17.77,;4.67,-19.1,;3.9,-20.43,;2.37,-20.43,;4.67,-21.77,;6.22,-19.11,;6.99,-20.46,;7,-17.78,;2.58,-15.47,;1.25,-16.24,;1.25,-17.77,;-.09,-15.47,;-.09,-13.93,;1.25,-13.15,;2.58,-13.93,;1.25,-11.62,;-1.42,-16.24,;-2.75,-15.47,;-2.75,-13.93,;-4.09,-16.24,;-4.09,-17.77,;-2.75,-18.55,;-2.75,-20.08,;-4.09,-20.86,;-1.42,-20.86,;-5.42,-15.47,;-6.76,-16.24,;-6.76,-17.77,;-8.08,-15.47,;-9.42,-16.24,;23.91,-13.93,;25.24,-13.15,;22.57,-13.15,;22.57,-11.62,;47.91,-13.93,;49.25,-13.15,;46.58,-13.15,;46.58,-11.62,;65.24,-16.24,;66.58,-15.47,;65.24,-17.77,)|
BDBM50242447 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#8])=O |r|
BDBM50242448 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,wU:81.89,73.74,57.59,43.50,24.24,98.100,121.123,135.138,146.148,wD:61.71,52.54,29.41,12.20,4.4,109.111,130.133,140.142,75.77,(1.79,-21.01,;1.79,-19.47,;3.13,-18.7,;.46,-18.7,;.46,-17.15,;-.87,-16.38,;-2.2,-17.15,;-2.2,-18.69,;-3.53,-16.38,;-4.86,-17.15,;-6.2,-16.38,;-6.2,-14.84,;-7.52,-17.15,;-7.53,-18.69,;-6.74,-20.01,;-7.49,-21.35,;-9.03,-21.37,;-6.7,-22.67,;-5.2,-19.98,;-4.41,-21.3,;-4.45,-18.63,;-8.86,-16.37,;-10.19,-17.14,;-10.19,-18.68,;-11.52,-16.37,;-11.52,-14.84,;-12.87,-17.14,;-14.2,-16.37,;-14.2,-14.83,;-15.54,-17.14,;-15.54,-18.68,;-14.19,-19.45,;-12.96,-18.55,;-11.71,-19.45,;-12.18,-20.9,;-11.42,-22.23,;-12.18,-23.56,;-13.73,-23.57,;-14.49,-22.23,;-13.73,-20.9,;-16.87,-16.37,;-18.19,-17.13,;-18.19,-18.68,;-19.54,-16.36,;-19.54,-14.83,;-18.19,-14.06,;-18.19,-12.52,;-16.86,-11.75,;-16.86,-10.22,;-20.86,-17.13,;-22.19,-16.36,;-22.19,-14.82,;-23.53,-17.12,;-23.53,-18.67,;-24.86,-16.35,;-26.19,-17.12,;-26.19,-18.66,;-27.53,-16.35,;-28.86,-17.12,;-30.19,-16.35,;-30.19,-14.81,;-31.53,-17.12,;-31.53,-18.66,;-30.72,-19.97,;-31.46,-21.32,;-33.01,-21.37,;-30.66,-22.64,;-29.18,-19.93,;-28.38,-21.25,;-28.45,-18.58,;-32.86,-16.35,;-34.18,-17.11,;-34.18,-18.65,;-35.51,-16.34,;-35.43,-14.8,;-37.09,-14.46,;-37.78,-12.94,;-37.91,-15.92,;-36.77,-17.17,;-36.82,-18.69,;-35.52,-19.52,;-38.17,-19.43,;-39.49,-18.63,;-40.84,-19.37,;-42.16,-18.57,;-42.11,-17.03,;-43.5,-19.3,;-38.21,-20.97,;-36.91,-21.78,;-35.55,-21.04,;-36.95,-23.31,;-35.63,-24.11,;-27.53,-14.81,;-26.19,-14.05,;-28.86,-14.04,;1.79,-16.39,;1.79,-14.86,;3.13,-17.16,;4.45,-16.39,;4.45,-14.86,;5.79,-14.09,;5.79,-12.55,;7.13,-11.78,;7.13,-10.24,;5.8,-9.48,;8.46,-9.47,;5.79,-17.17,;5.79,-18.7,;7.13,-16.4,;8.45,-17.16,;8.45,-18.71,;9.2,-20.05,;8.41,-21.38,;6.87,-21.35,;9.16,-22.71,;10.75,-20.07,;11.5,-21.42,;11.54,-18.75,;9.79,-16.4,;9.79,-14.86,;11.13,-17.17,;12.45,-16.4,;12.45,-14.87,;13.79,-14.1,;13.79,-12.56,;15.13,-11.79,;15.13,-10.25,;13.79,-17.17,;13.79,-18.71,;15.12,-16.41,;16.45,-17.17,;16.45,-18.72,;17.78,-16.4,;17.78,-14.87,;19.12,-17.18,;20.45,-16.41,;20.45,-14.88,;21.78,-17.18,;21.78,-18.73,;23.11,-16.42,;24.45,-17.19,;24.45,-18.73,;25.78,-19.5,;25.78,-16.42,;25.78,-14.88,;27.11,-17.19,;28.44,-16.42,;28.44,-14.89,;29.78,-14.11,;31.11,-14.89,;29.78,-12.58,;29.78,-17.19,;31.1,-16.42,;29.78,-18.73,)|
BDBM50242449 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
BDBM50242450 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
BDBM50277043 O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
BDBM50276976 Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
BDBM50276978 Oc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
BDBM50304085 CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
BDBM50304086 CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
BDBM50304087 CS(=O)(=O)Nc1ccc(OCCN2CCN(C2=O)c2ccc(Cl)c(Cl)c2)cc1
BDBM50344246 N#Cc1cccc(c1)-c1cncc(CNC2CCCC2)n1
BDBM50344247 N#Cc1ccc(cc1)-c1cncc(CNC2CCCC2)n1
BDBM50344248 COc1ccc(c(OC)c1)-c1cncc(CNC2CCCC2)n1
BDBM50344249 CC(=O)Nc1cccc(c1)-c1cncc(CNC2CCCC2)n1
BDBM50344250 COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
BDBM50344251 COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
BDBM50344252 COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
BDBM50344253 COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1
BDBM50344254 COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
BDBM50344255 COc1cc(F)ccc1-c1cncc(CNC(C)C)c1
BDBM50344256 COc1cc(F)ccc1-c1cncc(c1)C1CCCN1
BDBM50344264 COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
BDBM50344265 COc1cc(F)ccc1-c1cncc(CNC(=O)N(C)C)c1
BDBM50344266 CCCC(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
BDBM50344267 COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
BDBM50344268 CCOC(=O)C(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
BDBM50344257 COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
BDBM50344258 COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1
BDBM50344259 COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
BDBM50344260 COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
BDBM50344261 COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
BDBM50344262 COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
BDBM50344232 COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
BDBM50344233 COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
BDBM50344234 COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
BDBM50344235 COCCNCc1cncc(n1)-c1ccc(F)cc1OC
BDBM50344236 COc1cc(F)ccc1-c1cncc(CNCC(C)C)n1
BDBM50344237 CCNCc1cncc(n1)-c1ccc(F)cc1OC
BDBM50344238 COc1cc(F)ccc1-c1cncc(CNC2CC2)n1
BDBM50344239 COc1cc(F)ccc1-c1cncc(CNC[C@@H]2CCCO2)n1 |r|
BDBM50344240 COc1cc(F)ccc1-c1cncc(CNCc2ccccn2)n1
BDBM50344244 COc1cccc(c1F)-c1cncc(CNCC2CC2)n1
BDBM50344241 Fc1cccc(c1F)-c1cncc(CNC2CCC2)n1
BDBM50344242 Fc1cccc(c1F)-c1cncc(CNCC2CC2)n1
BDBM50344243 Fc1cccc(c1F)-c1cncc(CNC2CC2)n1
BDBM50344245 COc1cccc(c1F)-c1cncc(CNC2CC2)n1
BDBM50329501 CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
BDBM50329502 Oc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
BDBM50329503 Oc1ccc2nc(CN3CCC(CC3)Oc3ccc(I)cc3)[nH]c2c1
BDBM50361654 COc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
BDBM50361655 Oc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
BDBM50361656 COc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50361657 Oc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50361658 Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50361659 Oc1cccc2c(c[nH]c12)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50361660 Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50377825 OC(CN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1 |w:1.0|
BDBM50377826 Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
BDBM50377827 Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50377828 Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50377829 [O-][N+](=O)c1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
BDBM50377830 COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
BDBM50377831 CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1 |w:2.2,1.0|
BDBM50377832 CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
BDBM50377833 CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(N)cc1
BDBM50377834 CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
BDBM50377835 CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)N=C=S
BDBM50398923 COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26|
BDBM50398924 COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19|
BDBM50398925 COc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21|
BDBM50398926 COc1ccc2CN(CCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:26:24:28:19.18.20,26:19:28:24.27.23,THB:16:17:23:19.26.20,18:17:23:19.26.20,18:19:17.27.28:23,25:24:28:19.18.20|
BDBM50398927 COc1ccc2CN(CCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:15:16:22:18.25.19,25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22|
BDBM50398928 COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21|
BDBM50398929 COc1ccc2CN(CCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:13:14:20:16.23.17,23:21:25:16.15.17,23:16:25:21.24.20,THB:15:14:20:16.23.17,15:16:14.24.25:20,22:21:25:16.15.17|
BDBM50398930 COc1ccc2CN(CCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31,TLB:22:20:24:15.14.16,22:15:24:20.23.19,THB:21:20:24:15.14.16,14:13:19:15.22.16,14:15:13.23.24:19,12:13:19:15.22.16|
BDBM50398915 COc1ccc2CN(CCCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:19.20.22:25,24:23:17:19.27.20,21:20:17.16.26:25,THB:27:20:17.16.26:25,24:23:19:17.16.27,26:16:19:22.23.25,26:23:19:17.16.27,22:20:17:26.23.25,22:23:17:19.27.20,15:16:19:22.23.25,15:16:19.20.22:25,21:20:17:26.23.25|
BDBM50398916 COc1ccc2CN(CCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:26:15:24:21.19.18,20:19:16:24.25.22,23:22:16.15.26:18,THB:25:15:24.22.21:18,25:22:16.15.26:18,26:19:24:16.15.25,21:22:16:26.19.18,21:19:16:24.25.22,20:19:24:16.15.25,23:22:16:26.19.18|
BDBM50398917 COc1ccc2CN(CCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,13:14:23:20.18.17,13:14:23.21.20:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,20:21:15:25.18.17,20:18:15:23.24.21,24:14:23.21.20:17,24:21:15.14.25:17,22:21:15:25.18.17,25:18:23:15.14.24|
BDBM50398918 COc1ccc2CN(CCCNCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:25:22.20.19,21:20:17:25.26.23,24:23:17.16.27:19,THB:26:16:25.23.22:19,26:23:17.16.27:19,27:20:25:17.16.26,22:23:17:27.20.19,22:20:17:25.26.23,21:20:25:17.16.26,24:23:17:27.20.19|
BDBM50398919 COc1ccc2CN(CCSCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24|
BDBM50398920 COc1ccc2CN(CCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24|
BDBM50398921 COc1ccc2CN(CCOCCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:28:17:26:23.21.20,25:24:18.17.28:20,22:21:18:26.27.24,THB:23:24:18:28.21.20,23:21:18:26.27.24,28:21:26:18.17.27,25:24:18:28.21.20,22:21:26:18.17.27,27:17:26.24.23:20,27:24:18.17.28:20|
BDBM50398922 COc1ccc2CN(CCCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:29:18:21.22.24:27,23:22:19.18.28:27,26:25:19:21.29.22,THB:29:22:19.18.28:27,28:18:21:24.25.27,28:25:21:19.18.29,24:22:19:28.25.27,24:25:19:21.29.22,16:18:21:24.25.27,16:18:21.22.24:27|
BDBM50385168 Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1 |r|
BDBM50385169 Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1 |r|
BDBM50399925 CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50399926 CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50399927 CS(=O)(=O)Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
BDBM50399928 Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
BDBM50399929 Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
BDBM50447401 NC(=NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1 |w:2.2,TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5|
BDBM50447402 FC(F)(F)Oc1ccc(cc1)C(=N)NCC12C3C4C5C3C1C5C24 |(22.85,-30.48,;24.18,-29.7,;22.83,-28.93,;24.17,-28.16,;25.51,-30.47,;26.84,-29.69,;28.18,-30.45,;29.51,-29.67,;29.5,-28.14,;28.16,-27.38,;26.83,-28.15,;30.83,-27.37,;30.82,-25.83,;32.16,-28.13,;33.49,-27.36,;34.81,-28.11,;36.64,-27.49,;37.15,-29.38,;37.81,-29.67,;37.31,-27.77,;35.47,-28.41,;35.97,-30.3,;35.31,-30.01,)|
BDBM50447403 NC(=NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
BDBM50447404 NC(=NCc1ccc(F)c(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
BDBM50447405 NC(=NCc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
BDBM50447406 NC(=NCc1ccc2OCOc2c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
BDBM50447407 COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC |w:6.5|
BDBM50447408 COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1 |w:6.5|
BDBM50447409 COc1ccc(OC)c(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:10.9|
BDBM50447410 COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c(OC)c1 |w:7.6|
BDBM50447411 COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1OC |w:8.7|
BDBM50438383 Oc1ccc2[nH]cc(C(=O)CN3CCC(CC3)NC(=O)c3ccc(O)c(O)c3)c2c1
BDBM50445987 Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1
BDBM50445988 Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2cc1O
BDBM50445989 Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
BDBM50445990 CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
BDBM50445991 CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50445992 Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50445993 Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2cc1O
BDBM50444777 COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
BDBM50440047 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(c2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
BDBM50440049 COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
BDBM50440050 Cc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
BDBM50440051 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440052 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(F)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440053 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(cc2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
BDBM50440055 COc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
BDBM50440057 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440058 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440059 OC(=O)CCC(=O)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
BDBM50440060 OC(=O)CCC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
BDBM50440061 OC(=O)CCCN1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:7|
BDBM50440062 NC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440063 OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:9|
BDBM50440064 OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
BDBM50440065 OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:9|
BDBM50440067 OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |w:3.2,c:8|
BDBM50440069 OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
BDBM50440070 OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |w:4.4,c:8|
BDBM50440072 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(Cl)cc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440073 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(F)cc(F)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440074 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(F)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440075 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440076 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440077 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(F)c2)c2ccccc2[nH]c1=O |c:8|
BDBM50440078 Cc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
BDBM50440079 OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440080 OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440081 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440082 OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440083 OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440084 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440085 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
BDBM50440086 OC(=O)CCC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
BDBM50440089 OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
BDBM50440091 OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
BDBM50440092 OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
BDBM50440094 OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
BDBM198765 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198766 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198767 Cc1ccccc1CN1CCC(N2CC[C@H]([C@H](F)C2)c2ccc(O)cc2)C1=O |r|
BDBM198768 Cc1cccc(CN2CCC(N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)c1 |r|
BDBM198769 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O |r|
BDBM198770 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
BDBM198771 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
BDBM198774 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198775 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198776 C[C@H](N1CCC(N2CC[C@H]([C@H](F)C2)c2ccc(O)cc2)C1=O)c1ccccc1 |r|
BDBM198777 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198778 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O |r|
BDBM198779 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198780 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198781 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O |r|
BDBM198782 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198783 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198784 Cc1ccccc1CN1CCC(N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
BDBM198785 Cc1cccc(CN2CCC(N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)c1 |r|
BDBM198786 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O |r|
BDBM198787 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
BDBM198788 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198789 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198790 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198791 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198792 C[C@H](N1CCC(N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O)c1ccccc1 |r|
BDBM198793 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198794 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O |r|
BDBM198795 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198796 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198797 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O |r|
BDBM198798 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1
BDBM198808 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)c(F)c2)C1=O
BDBM198810 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198811 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM198813 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
BDBM198814 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
BDBM198815 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198816 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198824 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198825 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198831 Oc1ccc(cc1)N1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198832 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
BDBM198833 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
BDBM198834 Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1 |r|
BDBM198835 Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198836 Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
BDBM198837 Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
BDBM198747 Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
BDBM198829 Cc1ccc(CN2CCC(N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198757 Cc1ccc(cc1F)N1CCC(N2CCC(c3ccc(O)cc3)C(F)(F)C2)C1=O
BDBM198802 Cc1cccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)c1
BDBM198801 Cc1ccccc1CN1CCC(N2CCC(c3ccc(O)cc3)C(F)(F)C2)C1=O
BDBM198672 OC1CN(CCC1c1ccc(O)cc1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198809 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O
BDBM198812 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O
BDBM198753 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198803 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O
BDBM198751 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
BDBM198799 Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccccc2)C1=O
BDBM198807 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198805 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198806 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
BDBM198804 Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198714 Oc1ccc(cc1)C1CCN(CC1)C1CCCN(Cc2ccccc2)C1=O
BDBM198772 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198761 C[C@H](N1CCC(N2CCC(c3ccc(O)cc3)C(F)(F)C2)C1=O)c1ccc(F)cc1 |r|
BDBM198731 Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM198732 Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM198733 Oc1ccc(cc1)[C@@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198734 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198735 Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198736 Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198737 Cc1ccc(cc1F)N1CC[C@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
BDBM198738 Cc1ccc(cc1F)N1CC[C@@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
BDBM198739 C[C@H](N1CC[C@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O)c1ccc(F)cc1 |r|
BDBM198740 C[C@H](N1CC[C@@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O)c1ccc(F)cc1 |r|
BDBM198741 C[C@H](N1CC[C@H](N2CC[C@H]([C@H](F)C2)c2ccc(O)cc2)C1=O)c1ccc(F)cc1 |r|
BDBM198742 C[C@H](N1CC[C@@H](N2CC[C@H]([C@H](F)C2)c2ccc(O)cc2)C1=O)c1ccc(F)cc1 |r|
BDBM198743 Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1
BDBM50148147 Cc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
BDBM50148148 CCc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
BDBM50148149 COc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
BDBM50148150 Cc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1C
BDBM198663 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198664 Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198665 Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
BDBM198666 Cc1ccc(CN2CCC(N3CCCC(C3)c3ccc(O)cc3)C2=O)cc1
BDBM198667 Oc1ccc(cc1)C1CCCN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198668 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)c(F)c2)C1=O
BDBM198669 Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198670 Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
BDBM198671 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O
BDBM198677 Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccc(F)c(F)c2)C1=O
BDBM198678 Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198679 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
BDBM198680 Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198681 Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
BDBM198683 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)c(F)c2)C1=O
BDBM198684 Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccccc2)C1=O
BDBM198685 Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O
BDBM198686 Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198687 Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
BDBM198688 Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1F
BDBM198689 Cc1ccc(CN2CCC(N3CC(C3)c3ccc(O)cc3)C2=O)cc1F
BDBM198690 Cc1ccc(CN2CC[C@@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM198691 Cc1ccc(CN2CC[C@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM198692 Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
BDBM198693 Cc1ccc(CN2CC[C@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198694 Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198695 Oc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
BDBM198696 Oc1ccc(CN2CC[C@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198697 Oc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198698 Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1C
BDBM198699 Cc1ccc(CN2CCC(N3CC(C3)c3ccc(O)cc3)C2=O)cc1
BDBM198700 Cc1ccc(CN2CC[C@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198701 Cc1ccc(CN2CC[C@@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198702 Cc1cc(O)ccc1C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
BDBM198703 Oc1ccc(cc1F)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
BDBM198704 Oc1ccc(cc1)C1CCCCN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198705 C[C@H](N1CCC(N2CCC(CC2)c2ccc(O)cc2)C1=O)c1ccccc1 |r|
BDBM198706 C[C@H](N1CC[C@H](N2CCC(CC2)c2ccc(O)cc2)C1=O)c1ccccc1 |r|
BDBM198707 C[C@H](N1CC[C@@H](N2CCC(CC2)c2ccc(O)cc2)C1=O)c1ccccc1 |r|
BDBM198708 Oc1ccc(cc1)C1CCN(CC1)C1CCN(C2CCc3ccccc23)C1=O
BDBM198709 Oc1ccc(cc1)C1CCCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
BDBM198710 Cc1ccc(CN2CCC(N3CCCC(CC3)c3ccc(O)cc3)C2=O)cc1
BDBM198711 Oc1ccc(cc1)C1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O
BDBM198712 Cc1ccc(CN2CCCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
BDBM198713 Cc1ccc(CN2CCCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1F
BDBM198717 Oc1ccc(cc1)C1CCCN(C1)C1CCCN(Cc2ccc(Cl)cc2)C1=O
BDBM198718 Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1=O |r|
BDBM198721 Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
BDBM198722 Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
BDBM198723 Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
BDBM198724 Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
BDBM198725 Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198726 Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198727 Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198728 Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
BDBM198729 Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM198730 Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
BDBM50201022 FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
BDBM50201021 Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
BDBM50201024 Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
BDBM50201023 FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
BDBM50201025 FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
BDBM50201026 CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
BDBM50201027 Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1
BDBM50201028 FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1