SMILES for Tyrosine-protein kinase JAK2 [828-1132]

596 SMILES Strings for Tyrosine-protein kinase JAK2 [828-1132]

Compound Name

SMILES String

BDBM400580

Brc1cc(Br)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM400470

Brc1cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc(Br)n1

BDBM400471

Brc1cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)ccn1

BDBM400579

Brc1ccc(Br)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM400265

Brc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400404

Brc1cscc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400321

Brc1sccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344093

CC(=N)C(\[C@H]1CC[C@H](CC#N)CC1)=C1/NC=Nc2ccsc12 |r,wU:4.3,wD:7.7,c:16,(-4.82,1.61,;-4.05,.28,;-4.67,-1.13,;-2.51,.12,;-1.43,1.2,;-1.82,2.69,;-.74,3.78,;.75,3.38,;1.84,4.47,;3.33,4.07,;4.82,3.67,;1.15,1.89,;.06,.81,;-2.19,-1.39,;-3.53,-2.16,;-3.53,-3.7,;-2.19,-4.47,;-.86,-3.7,;.6,-4.18,;1.51,-2.93,;.6,-1.69,;-.86,-2.16,)|

BDBM448688

CC(C#N)C1(CN(C1)C1CCN(CC1)S(C)(=O)=O)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448669

CC(C)(C)C(=O)Nc1cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)ccn1

BDBM400480

CC(C)(C)C(=O)Nc1ncccc1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400624

CC(C)(C)NCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400634

CC(C)COC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400611

CC(C)NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314695

CC(C)NC(=O)c1cc(Cl)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314693

CC(C)NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314714

CC(C)NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1

BDBM314690

CC(C)NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM380422

CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C

BDBM314688

CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM314700

CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314701

CC(C)NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314696

CC(C)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM595501

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#C)(C1)n1cc(cn1)-c1c(C)n[nH]c1C

BDBM380442

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1c[nH]nc1C

BDBM380446

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1cn[nH]c1

BDBM380444

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C

BDBM380063

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C

BDBM262166

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM246876

CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400626

CC(C)NCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344104

CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:11.14,wD:8.7,(3.82,6.85,;4.22,5.36,;5.71,4.96,;3.13,4.27,;3.53,2.78,;5.02,2.39,;2.44,1.7,;.95,2.09,;-.14,1.01,;-1.62,1.4,;-2.71,.31,;-2.32,-1.17,;-.83,-1.57,;.26,-.48,;-3.4,-2.26,;-4.94,-2.1,;-5.71,-.77,;-4.94,.57,;-4.17,1.9,;-5.56,-3.51,;-4.42,-4.54,;-4.42,-6.08,;-3.08,-6.85,;-1.75,-6.08,;-.29,-6.55,;.62,-5.31,;-.29,-4.06,;-1.75,-4.54,;-3.08,-3.77,)|

BDBM344100

CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:11.14,26.31,wD:8.7,(4.59,6.85,;4.99,5.36,;6.48,4.96,;3.9,4.27,;4.3,2.78,;5.79,2.39,;3.21,1.7,;1.72,2.09,;.63,1.01,;-.85,1.4,;-1.94,.31,;-1.55,-1.17,;-.06,-1.57,;1.03,-.48,;-2.63,-2.26,;-4.17,-2.1,;-4.79,-3.51,;-3.65,-4.54,;-3.65,-6.08,;-2.31,-6.85,;-.98,-6.08,;.48,-6.55,;1.39,-5.31,;.48,-4.06,;-.98,-4.54,;-2.31,-3.77,;-4.94,-.77,;-6.48,-.77,;-4.17,.57,)|

BDBM344092

CC(C)OC(=O)NC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r|

BDBM400501

CC(C)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344043

CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:15.17,wD:18.21,(-4.15,3.15,;-4.15,1.61,;-5.48,2.38,;-3.38,.28,;-4.01,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.53,-4.47,;-.19,-3.7,;1.27,-4.18,;2.18,-2.93,;1.27,-1.69,;-.19,-2.16,;-1.53,-1.39,;-1.85,.12,;-.76,1.2,;-1.16,2.69,;-.07,3.78,;1.42,3.38,;2.51,4.47,;4,4.07,;5.48,3.68,;1.82,1.89,;.73,.81,)|

BDBM344058

CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM400410

CC(F)(F)c1ccncc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344087

CC(F)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM344084

CC(N)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM314713

CC(NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM314707

CC(NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CCN(C)CC1

BDBM344085

CC(NC(C)=O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM400398

CC1(CCN(CC1)C(=O)C1CCCCC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400397

CC1(CCN(CC1)C(=O)c1cccc(F)c1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400636

CC1(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1

BDBM400396

CC1CC(CCN1C(=O)C1CCC(F)(F)CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400394

CC1CC(CCN1C(=O)c1cccc(F)c1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448678

CC1CC(CCN1Cc1c(F)cccc1Cl)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448676

CC1CC(CCN1Cc1ccc(N(C)C)c(C#N)c1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344105

CCC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:9.12,wD:6.5,(4.56,6.1,;3.47,5.02,;3.87,3.53,;5.36,3.13,;2.78,2.44,;1.3,2.84,;.21,1.75,;-1.28,2.15,;-2.37,1.06,;-1.97,-.43,;-.48,-.83,;.61,.26,;-3.06,-1.52,;-4.59,-1.36,;-5.36,-.02,;-4.59,1.31,;-3.82,2.64,;-5.22,-2.76,;-4.07,-3.79,;-4.07,-5.33,;-2.74,-6.1,;-1.41,-5.33,;.06,-5.81,;.96,-4.56,;.06,-3.32,;-1.41,-3.79,;-2.74,-3.02,)|

BDBM448689

CCC(C#N)C1(CN(C1)C1CCN(CC1)S(C)(=O)=O)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM197717

CCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM197716

CCCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400630

CCCOC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344099

CCCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:11.14,26.31,wD:8.7,(7.96,5.45,;6.87,4.36,;5.39,4.76,;4.3,3.67,;2.81,4.07,;2.41,5.56,;1.72,2.98,;.23,3.38,;-.85,2.29,;-2.34,2.69,;-3.43,1.6,;-3.03,.12,;-1.55,-.28,;-.46,.81,;-4.12,-.97,;-5.65,-.81,;-6.28,-2.22,;-5.14,-3.25,;-5.14,-4.79,;-3.8,-5.56,;-2.47,-4.79,;-1,-5.27,;-.1,-4.02,;-1,-2.77,;-2.47,-3.25,;-3.8,-2.48,;-6.42,.52,;-7.96,.52,;-5.65,1.85,)|

BDBM400618

CCN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400617

CCN(CC)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344047

CCNC(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:24.29,9.12,wD:6.5,(6.68,5.16,;5.59,4.07,;4.1,4.47,;3.01,3.38,;3.41,1.89,;1.52,3.78,;.43,2.69,;-1.05,3.09,;-2.14,2,;-1.74,.51,;-.26,.12,;.83,1.2,;-2.83,-.58,;-4.37,-.41,;-4.99,-1.82,;-3.85,-2.85,;-3.85,-4.39,;-2.51,-5.16,;-1.18,-4.39,;.28,-4.87,;1.19,-3.62,;.28,-2.38,;-1.18,-2.85,;-2.51,-2.08,;-5.14,.92,;-6.68,.92,;-4.37,2.25,)|

BDBM314711

CCNC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400627

CCNCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400632

CCOC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344066

CCOC(=O)N1CCC[C@@H](C1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r|

BDBM344103

CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:10.13,wD:7.6,(6.65,4.36,;5.16,4.76,;4.07,3.67,;2.58,4.07,;2.19,5.56,;1.5,2.98,;.01,3.38,;-1.08,2.29,;-2.57,2.69,;-3.66,1.6,;-3.26,.12,;-1.77,-.28,;-.68,.81,;-4.35,-.97,;-5.88,-.81,;-6.65,.52,;-5.88,1.85,;-5.11,3.19,;-6.51,-2.22,;-5.36,-3.25,;-5.36,-4.79,;-4.03,-5.56,;-2.69,-4.79,;-1.23,-5.27,;-.32,-4.02,;-1.23,-2.77,;-2.69,-3.25,;-4.03,-2.48,)|

BDBM344098

CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:10.13,25.30,wD:7.6,(4.93,6.85,;5.33,5.36,;4.24,4.27,;4.64,2.78,;6.13,2.39,;3.55,1.7,;2.07,2.09,;.98,1.01,;-.51,1.4,;-1.6,.31,;-1.2,-1.17,;.29,-1.57,;1.38,-.48,;-2.29,-2.26,;-3.82,-2.1,;-4.45,-3.51,;-3.3,-4.54,;-3.3,-6.08,;-1.97,-6.85,;-.64,-6.08,;.83,-6.55,;1.73,-5.31,;.83,-4.06,;-.64,-4.54,;-1.97,-3.77,;-4.59,-.77,;-6.13,-.77,;-3.82,.57,)|

BDBM544257

CCS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314712

CC[C@@H](C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM595504

CCc1n[nH]cc1-c1cnn(c1)C1(CC#C)CN(C1)c1cnc(cn1)C(=O)N[C@@H](C)C(F)(F)F |r|

BDBM380447

CCc1n[nH]cc1-c1cnn(c1)C1(CC#N)CN(C1)c1cnc(cn1)C(=O)N[C@@H](C)C(F)(F)F |r|

BDBM344051

CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1 |r|

BDBM344056

CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@H](O)C1 |r|

BDBM410248

CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|

BDBM344063

CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:14.16,wD:17.20,(-5.59,1.61,;-4.05,1.61,;-3.28,.28,;-3.9,-1.13,;-2.76,-2.16,;-2.76,-3.7,;-1.42,-4.47,;-.09,-3.7,;1.37,-4.18,;2.28,-2.93,;1.37,-1.69,;-.09,-2.16,;-1.42,-1.39,;-1.74,.12,;-.66,1.2,;-1.05,2.69,;.03,3.78,;1.52,3.38,;2.61,4.47,;4.1,4.07,;5.59,3.67,;1.92,1.89,;.83,.81,)|

BDBM344055

CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM375666

CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|

BDBM523175

CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](O)C1 |r|

BDBM400441

CCn1nccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400612

CN(C)Cc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c(n1)C(F)(F)F

BDBM400613

CN(C)Cc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N

BDBM400619

CN(C)Cc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)F

BDBM448803

CN(C)Cc1cc(cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N

BDBM400610

CN(C)Cc1cc(nc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400614

CN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400306

CN(C)c1c(F)c(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1F

BDBM400297

CN(C)c1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1C#N

BDBM400485

CN(C)c1ccc(CN2C3CCC2CC(C3)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1C#N |THB:16:14:8:10.11|

BDBM400454

CN(C)c1ccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1C#N

BDBM400305

CN(C)c1ccc(cc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400494

CN(C)c1ccc(cc1C#N)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314694

CN(C1CC1)C(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400629

CN(CCCO)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344045

CN1CC(C1)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:17.20,wD:20.24,(-5.75,4.65,;-4.98,3.32,;-3.49,2.92,;-3.89,1.43,;-5.37,1.83,;-3.12,.1,;-3.74,-1.31,;-2.6,-2.34,;-2.6,-3.88,;-1.26,-4.65,;.07,-3.88,;1.53,-4.36,;2.44,-3.11,;1.53,-1.86,;.07,-2.34,;-1.26,-1.57,;-1.58,-.06,;-.5,1.02,;-.89,2.51,;.19,3.6,;1.68,3.2,;2.77,4.29,;4.26,3.89,;5.75,3.5,;2.08,1.72,;.99,.63,)|

BDBM344086

CNC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM400615

CNCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344030

CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:9.12,wD:24.29,6.5,(6.13,4.22,;5.04,3.13,;3.55,3.53,;3.95,5.02,;3.16,2.04,;2.07,3.93,;.98,2.84,;-.51,3.24,;-1.6,2.15,;-1.2,.66,;.29,.26,;1.38,1.35,;-2.29,-.43,;-3.82,-.27,;-4.45,-1.68,;-3.3,-2.71,;-3.3,-4.25,;-1.97,-5.02,;-.64,-4.25,;.83,-4.72,;1.73,-3.48,;.83,-2.23,;-.64,-2.71,;-1.97,-1.94,;-4.59,1.07,;-3.82,2.4,;-6.13,1.07,)|

BDBM410287

COC(=O)NC[C@H]1CC[C@@H](CC1)N1C(=N[N]2=CN=c3ccsc3=C12)[C@@H](C)O |r,wU:9.12,24.29,wD:6.5,c:14,t:16,18,24,(5.33,6.1,;4.24,5.02,;4.64,3.53,;6.13,3.13,;3.55,2.44,;2.07,2.84,;.98,1.75,;-.51,2.15,;-1.6,1.06,;-1.2,-.43,;.29,-.83,;1.38,.26,;-2.29,-1.52,;-3.82,-1.36,;-4.45,-2.76,;-3.3,-3.79,;-3.3,-5.33,;-1.97,-6.1,;-.64,-5.33,;.83,-5.81,;1.73,-4.56,;.83,-3.32,;-.64,-3.79,;-1.97,-3.02,;-4.59,-.02,;-6.13,-.02,;-3.82,1.31,)|

BDBM344102

COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:9.12,wD:6.5,(4.56,6.1,;3.47,5.02,;3.87,3.53,;5.36,3.13,;2.78,2.44,;1.3,2.84,;.21,1.75,;-1.28,2.15,;-2.37,1.06,;-1.97,-.43,;-.48,-.83,;.61,.26,;-3.06,-1.52,;-4.59,-1.36,;-5.36,-.02,;-4.59,1.31,;-3.82,2.64,;-5.22,-2.76,;-4.07,-3.79,;-4.07,-5.33,;-2.74,-6.1,;-1.41,-5.33,;.06,-5.81,;.96,-4.56,;.06,-3.32,;-1.41,-3.79,;-2.74,-3.02,)|

BDBM344094

COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O |r,wU:9.12,24.29,wD:6.5,(5.33,6.1,;4.24,5.02,;4.64,3.53,;6.13,3.13,;3.55,2.44,;2.07,2.84,;.98,1.75,;-.51,2.15,;-1.6,1.06,;-1.2,-.43,;.29,-.83,;1.38,.26,;-2.29,-1.52,;-3.82,-1.36,;-4.45,-2.76,;-3.3,-3.79,;-3.3,-5.33,;-1.97,-6.1,;-.64,-5.33,;.83,-5.81,;1.73,-4.56,;.83,-3.32,;-.64,-3.79,;-1.97,-3.02,;-4.59,-.02,;-6.13,-.02,;-3.82,1.31,)|

BDBM400452

COC(=O)c1cc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400453

COC(=O)c1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400451

COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400349

COC1CCCC(C1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400628

COCCN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400603

CO[C@@H]1CN(CC[C@@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(n1)C(F)(F)F |r|

BDBM400296

COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400320

COc1c(Cl)scc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400277

COc1c(F)c(F)cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F

BDBM400281

COc1cc(F)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400286

COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400278

COc1cc(OC)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400282

COc1cc(cc(Cl)n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448460

COc1cc(ccc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400316

COc1cc(sc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400484

COc1ccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)c1OC

BDBM400272

COc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400283

COc1ccc(F)cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400431

COc1ccc(OC)c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400301

COc1ccc(cc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400250

COc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400483

COc1ccc2nc(Cl)c(CN3CCC(CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)cc2c1

BDBM400285

COc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400463

COc1cccc(F)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400426

COc1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400271

COc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400425

COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400532

COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400327

COc1ccsc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448506

COc1cscc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400469

COc1nc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)ccc1C#N

BDBM400550

COc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400449

COc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400528

COc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400599

CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400601

CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM400595

CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400498

CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400592

CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM344038

CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC2CCC1C2 |r|

BDBM344034

CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.20,wD:21.24,(-6.64,2.17,;-5.3,2.94,;-6.07,4.28,;-3.97,3.71,;-4.53,1.61,;-2.99,1.61,;-2.22,.28,;-2.85,-1.13,;-1.71,-2.16,;-1.71,-3.7,;-.37,-4.47,;.96,-3.7,;2.43,-4.18,;3.33,-2.93,;2.43,-1.69,;.96,-2.16,;-.37,-1.39,;-.69,.12,;.4,1.2,;-0,2.69,;1.09,3.78,;2.57,3.38,;3.66,4.47,;5.15,4.07,;6.64,3.68,;2.97,1.89,;1.88,.81,)|

BDBM400308

CSc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314716

C[C@@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM314708

C[C@@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|

BDBM314703

C[C@@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C(F)(F)F |r|

BDBM314691

C[C@@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C1CC1 |r|

BDBM314710

C[C@@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM314726

C[C@@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|

BDBM314717

C[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM344039

C[C@@H](O)c1cc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:1.1,15.17,wD:18.21,(-5.59,1.61,;-4.05,1.61,;-3.28,2.94,;-3.28,.28,;-3.9,-1.13,;-2.76,-2.16,;-2.76,-3.7,;-1.42,-4.47,;-.09,-3.7,;1.37,-4.18,;2.28,-2.93,;1.37,-1.69,;-.09,-2.16,;-1.42,-1.39,;-1.74,.12,;-.66,1.2,;-1.05,2.69,;.03,3.78,;1.52,3.38,;2.61,4.47,;4.1,4.07,;5.59,3.68,;1.92,1.89,;.83,.81,)|

BDBM344046

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(CC1)NCCC#N |r,wU:1.1,(-6.87,1.26,;-5.33,1.26,;-4.56,2.6,;-4.56,-.07,;-5.19,-1.48,;-4.05,-2.51,;-4.05,-4.05,;-2.71,-4.82,;-1.38,-4.05,;.09,-4.52,;.99,-3.28,;.09,-2.03,;-1.38,-2.51,;-2.71,-1.74,;-3.03,-.23,;-1.94,.86,;-.46,.46,;.63,1.55,;.23,3.04,;-1.25,3.44,;-2.34,2.35,;1.32,4.13,;2.81,3.73,;3.9,4.82,;5.39,4.42,;6.87,4.02,)|

BDBM344040

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(O)(CC#N)CC1 |r,wU:1.1,(-5.39,1.61,;-3.85,1.61,;-3.08,2.94,;-3.08,.28,;-3.7,-1.13,;-2.56,-2.16,;-2.56,-3.7,;-1.23,-4.47,;.11,-3.7,;1.57,-4.18,;2.48,-2.93,;1.57,-1.69,;.11,-2.16,;-1.23,-1.39,;-1.55,.12,;-.46,1.2,;1.03,.81,;2.12,1.89,;1.72,3.38,;2.81,4.47,;3.21,3.78,;4.3,2.69,;5.39,1.61,;.23,3.78,;-.86,2.69,)|

BDBM344048

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCC(CCC#N)C1 |r|

BDBM344029

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCCC1 |r|

BDBM344077

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC#N)CC1 |r|

BDBM344031

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC(F)(F)F)CC1 |r|

BDBM344032

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCC#N)CC1 |r|

BDBM344076

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCCC(F)(F)F)CC1 |r|

BDBM344025

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCNCC1F |r|

BDBM523147

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCNC[C@@H]1F |r|

BDBM523146

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCNC[C@H]1F |r|

BDBM523170

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CC[C@@H](CC1)NCCC#N |r,wU:1.1,wD:18.24,(-6.87,1.26,;-5.33,1.26,;-4.56,2.6,;-4.56,-.07,;-5.19,-1.48,;-4.05,-2.51,;-4.05,-4.05,;-2.71,-4.82,;-1.38,-4.05,;.09,-4.52,;.99,-3.28,;.09,-2.03,;-1.38,-2.51,;-2.71,-1.74,;-3.03,-.23,;-1.94,.86,;-2.34,2.35,;-1.25,3.44,;.23,3.04,;.63,1.55,;-.46,.46,;1.32,4.13,;2.81,3.73,;3.9,4.82,;5.39,4.42,;6.87,4.02,)|

BDBM523169

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CC[C@@H](CC1)NCCC#N |r,wU:18.24,1.1,(-6.87,1.26,;-5.33,1.26,;-4.56,2.6,;-4.56,-.07,;-5.19,-1.48,;-4.05,-2.51,;-4.05,-4.05,;-2.71,-4.82,;-1.38,-4.05,;.09,-4.52,;.99,-3.28,;.09,-2.03,;-1.38,-2.51,;-2.71,-1.74,;-3.03,-.23,;-1.94,.86,;-.46,.46,;.63,1.55,;.23,3.04,;-1.25,3.44,;-2.34,2.35,;1.32,4.13,;2.81,3.73,;3.9,4.82,;5.39,4.42,;6.87,4.02,)|

BDBM523162

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CC[C@@](O)(CC#N)CC1 |r,wU:1.1,18.21,wD:18.22,(-5.39,1.41,;-3.85,1.41,;-3.08,2.74,;-3.08,.08,;-3.7,-1.33,;-2.56,-2.36,;-2.56,-3.9,;-1.23,-4.67,;.11,-3.9,;1.57,-4.38,;2.48,-3.13,;1.57,-1.88,;.11,-2.36,;-1.23,-1.59,;-1.55,-.08,;-.46,1.01,;1.03,.61,;2.12,1.7,;1.72,3.18,;2.12,4.67,;3.21,3.58,;4.3,2.49,;5.39,1.4,;.23,3.58,;-.85,2.49,)|

BDBM523163

C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CC[C@@](O)(CC#N)CC1 |r,wU:1.1,18.22,wD:18.21,(-5.39,1.41,;-3.85,1.41,;-3.08,2.74,;-3.08,.08,;-3.7,-1.33,;-2.56,-2.36,;-2.56,-3.9,;-1.23,-4.67,;.11,-3.9,;1.57,-4.38,;2.48,-3.13,;1.57,-1.88,;.11,-2.36,;-1.23,-1.59,;-1.55,-.08,;-.46,1.01,;-.85,2.49,;.23,3.58,;1.72,3.18,;2.12,4.67,;3.21,3.58,;4.3,2.49,;5.39,1.4,;2.12,1.7,;1.03,.61,)|

BDBM410212

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CCNCC1F |r|

BDBM344060

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)OC1 |r|

BDBM344052

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1 |r|

BDBM344053

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@H](O)C1 |r|

BDBM344023

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)C#N |r,wU:1.1,15.17,18.24,(-3.93,.15,;-2.39,.15,;-1.62,1.48,;-1.62,-1.19,;-2.25,-2.59,;-1.1,-3.62,;-1.1,-5.16,;.23,-5.93,;1.56,-5.16,;3.03,-5.64,;3.93,-4.39,;3.03,-3.15,;1.56,-3.62,;.23,-2.85,;-.09,-1.35,;.68,-.01,;2.17,.38,;2.56,1.87,;1.48,2.96,;-.01,2.56,;-.41,1.07,;1.87,4.45,;2.27,5.93,)|

BDBM344022

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)n1cncn1 |r,wU:1.1,15.17,18.24,(-4.47,-.06,;-2.93,-.06,;-2.16,1.27,;-2.16,-1.4,;-2.79,-2.81,;-1.64,-3.84,;-1.64,-5.38,;-.31,-6.15,;1.03,-5.38,;2.49,-5.85,;3.4,-4.61,;2.49,-3.36,;1.03,-3.84,;-.31,-3.07,;-.63,-1.56,;.14,-.23,;1.68,-.23,;2.45,1.11,;1.68,2.44,;.14,2.44,;-.63,1.11,;2.45,3.78,;1.98,5.24,;3.22,6.15,;4.47,5.24,;3.99,3.78,)|

BDBM410242

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@H](O)C1 |r|

BDBM375655

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CC1)NCCC#N |r,wU:15.17,1.1,(-6.74,1.49,;-5.2,1.49,;-4.23,2.68,;-4.65,.05,;-5.28,-1.36,;-4.13,-2.39,;-4.13,-3.93,;-2.8,-4.7,;-1.47,-3.93,;-0,-4.4,;.9,-3.16,;-0,-1.91,;-1.47,-2.39,;-2.8,-1.62,;-3.12,-.11,;-2.07,.74,;-2.47,2.23,;-1.38,3.32,;.1,2.92,;.5,1.43,;-.59,.34,;1.19,4.01,;2.68,3.61,;3.77,4.7,;5.26,4.3,;6.74,3.9,)|

BDBM344035

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CO)OC1 |r|

BDBM410228

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(O)(CC#N)CC1 |r,wU:1.1,wD:15.17,(-5.3,1.33,;-3.76,1.33,;-2.99,2.66,;-2.99,-.01,;-3.62,-1.41,;-2.47,-2.44,;-2.47,-3.98,;-1.14,-4.75,;.2,-3.98,;1.66,-4.46,;2.57,-3.21,;1.66,-1.97,;.2,-2.44,;-1.14,-1.67,;-1.46,-.17,;-.43,.98,;1.08,.66,;2.11,1.8,;1.63,3.27,;2.03,4.75,;3.12,3.66,;4.21,2.58,;5.3,1.49,;.13,3.59,;-.9,2.44,)|

BDBM344067

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC#N |r|

BDBM344071

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC(C)c1ccccc1 |r|

BDBM344074

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCC#N |r|

BDBM344068

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCC(F)(F)F |r|

BDBM344075

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCCC#N |r|

BDBM344069

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC\C(=C\N)C=N |r|

BDBM344073

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1ccccc1 |r|

BDBM344070

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cccnc1 |r|

BDBM375679

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cn[nH]c1 |r|

BDBM375678

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)OCC(F)(F)F |r|

BDBM344072

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(CCC#N)C1 |r|

BDBM344017

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCOC1 |r|

BDBM344079

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(C1)C(=O)CC#N |r|

BDBM344078

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCC#N)C1 |r|

BDBM344081

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC#N)C1 |r|

BDBM344080

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC(F)(F)F)C1 |r|

BDBM344082

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCCC#N)C1 |r|

BDBM344065

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)C1 |r|

BDBM344037

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)OC1 |r|

BDBM344020

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:1.1,15.17,wD:18.24,(-4.74,.69,;-3.2,.69,;-2.43,2.02,;-2.43,-.64,;-3.05,-2.05,;-1.91,-3.08,;-1.91,-4.62,;-.57,-5.39,;.76,-4.62,;2.22,-5.1,;3.13,-3.85,;2.22,-2.6,;.76,-3.08,;-.57,-2.31,;-.89,-.8,;-.12,.53,;-1.21,1.62,;-.82,3.11,;.67,3.5,;1.76,2.42,;1.36,.93,;1.07,4.99,;2.56,5.39,;3.65,4.3,;4.74,3.21,;4.74,5.39,;2.56,3.21,)|

BDBM344018

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:1.1,15.17,wD:18.21,(-4.39,.49,;-2.85,.49,;-2.08,1.83,;-2.08,-.84,;-2.71,-2.25,;-1.56,-3.28,;-1.56,-4.82,;-.23,-5.59,;1.1,-4.82,;2.57,-5.29,;3.47,-4.05,;2.57,-2.8,;1.1,-3.28,;-.23,-2.51,;-.55,-1,;.22,.33,;-.87,1.42,;-.47,2.91,;1.02,3.31,;1.42,4.79,;2.9,5.19,;4.39,5.59,;2.11,2.22,;1.71,.73,)|

BDBM246852

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM523178

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|

BDBM344083

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](N)C1 |r|

BDBM410241

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](O)C1 |r|

BDBM344024

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:15.17,1.1,wD:18.21,(-4.62,4.48,;-3.53,3.39,;-2.05,3.79,;-3.93,1.9,;-5.44,1.58,;-5.6,.05,;-6.85,-.86,;-6.69,-2.39,;-5.28,-3.01,;-4.8,-4.48,;-3.26,-4.48,;-2.79,-3.01,;-4.03,-2.11,;-4.19,-.58,;-3.16,.57,;-1.62,.57,;-.85,1.9,;.69,1.9,;1.46,.57,;3,.57,;3.77,1.9,;5.31,1.9,;6.85,1.9,;.69,-.77,;-.85,-.77,)|

BDBM344021

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCS(C)(=O)=O)CC1 |r,wU:1.1,15.17,wD:18.21,(-5.93,.72,;-4.39,.72,;-3.62,2.05,;-3.62,-.61,;-4.25,-2.02,;-3.1,-3.05,;-3.1,-4.59,;-1.77,-5.36,;-.44,-4.59,;1.03,-5.07,;1.93,-3.82,;1.03,-2.57,;-.44,-3.05,;-1.77,-2.28,;-2.09,-.77,;-1,.31,;-1.4,1.8,;-.31,2.89,;1.18,2.49,;2.27,3.58,;3.75,3.18,;4.84,4.27,;5.93,3.18,;5.93,5.36,;3.75,5.36,;1.58,1.01,;.49,-.08,)|

BDBM344028

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CF)CC1 |r,wU:1.1,15.17,wD:18.21,(-3.93,.69,;-2.39,.69,;-1.62,2.02,;-1.62,-.64,;-2.25,-2.05,;-1.1,-3.08,;-1.1,-4.62,;.23,-5.39,;1.56,-4.62,;3.03,-5.1,;3.93,-3.85,;3.03,-2.6,;1.56,-3.08,;.23,-2.31,;-.09,-.8,;.68,.53,;-.41,1.62,;-.01,3.11,;1.48,3.5,;1.87,4.99,;3.36,5.39,;2.56,2.42,;2.17,.93,)|

BDBM344097

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)N(C)C)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.13,-.02,;-4.59,-.02,;-3.82,1.31,;-3.82,-1.36,;-4.45,-2.76,;-3.3,-3.79,;-3.3,-5.33,;-1.97,-6.1,;-.64,-5.33,;.83,-5.81,;1.73,-4.56,;.83,-3.32,;-.64,-3.79,;-1.97,-3.02,;-2.29,-1.52,;-1.2,-.43,;-1.6,1.06,;-.51,2.15,;.98,1.75,;2.07,2.84,;3.55,2.44,;4.64,3.53,;6.13,3.13,;4.24,5.02,;5.33,6.1,;2.76,5.41,;1.38,.26,;.29,-.83,)|

BDBM344101

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)OC2CCOC2)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.92,-1.03,;-5.38,-1.03,;-4.61,.3,;-4.61,-2.37,;-5.23,-3.77,;-4.09,-4.8,;-4.09,-6.34,;-2.76,-7.11,;-1.42,-6.34,;.04,-6.82,;.95,-5.57,;.04,-4.33,;-1.42,-4.8,;-2.76,-4.03,;-3.08,-2.53,;-1.99,-1.44,;-2.39,.05,;-1.3,1.14,;.19,.74,;1.28,1.83,;2.77,1.43,;3.86,2.52,;5.34,2.12,;3.46,4.01,;4.55,5.1,;4.55,6.64,;6.01,7.11,;6.92,5.87,;6.01,4.62,;.59,-.75,;-.5,-1.84,)|

BDBM344095

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(C)=O)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.13,.52,;-4.59,.52,;-3.82,1.85,;-3.82,-.81,;-4.45,-2.22,;-3.3,-3.25,;-3.3,-4.79,;-1.97,-5.56,;-.64,-4.79,;.83,-5.27,;1.73,-4.02,;.83,-2.77,;-.64,-3.25,;-1.97,-2.48,;-2.29,-.97,;-1.2,.12,;-1.6,1.6,;-.51,2.69,;.98,2.29,;2.07,3.38,;3.55,2.98,;4.64,4.07,;4.24,5.56,;6.13,3.67,;1.38,.81,;.29,-.28,)|

BDBM344096

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)CC1 |r,wU:15.17,1.1,wD:18.21,(-5.93,.72,;-4.39,.72,;-3.62,2.05,;-3.62,-.61,;-4.25,-2.02,;-3.1,-3.05,;-3.1,-4.59,;-1.77,-5.36,;-.44,-4.59,;1.03,-5.07,;1.93,-3.82,;1.03,-2.57,;-.44,-3.05,;-1.77,-2.28,;-2.09,-.77,;-1,.31,;-1.4,1.8,;-.31,2.89,;1.18,2.49,;2.27,3.58,;3.75,3.18,;4.84,4.27,;3.75,5.36,;5.93,3.18,;5.93,5.36,;1.58,1.01,;.49,-.08,)|

BDBM344091

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)OC1 |r|

BDBM344027

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1 |r,wU:1.1,15.17,wD:18.21,(-3.93,.69,;-2.39,.69,;-1.62,2.02,;-1.62,-.64,;-2.25,-2.05,;-1.1,-3.08,;-1.1,-4.62,;.23,-5.39,;1.56,-4.62,;3.03,-5.1,;3.93,-3.85,;3.03,-2.6,;1.56,-3.08,;.23,-2.31,;-.09,-.8,;.68,.53,;-.41,1.62,;-.01,3.11,;1.48,3.5,;1.87,4.99,;3.36,5.39,;2.56,2.42,;2.17,.93,)|

BDBM344019

C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](O)CC1 |r,wU:1.1,15.17,wD:18.21,(-3.93,.89,;-2.39,.89,;-1.62,2.22,;-1.62,-.44,;-2.25,-1.85,;-1.1,-2.88,;-1.1,-4.42,;.23,-5.19,;1.56,-4.42,;3.03,-4.9,;3.93,-3.65,;3.03,-2.41,;1.56,-2.88,;.23,-2.11,;-.09,-.6,;.68,.73,;-.41,1.82,;-.01,3.31,;1.48,3.7,;1.87,5.19,;2.56,2.61,;2.17,1.13,)|

BDBM544151

C[C@@H]1CC(CCN1C(=O)c1cccc(F)c1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM400489

C[C@@H]1CC(CCN1Cc1c(F)cccc1Cl)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM400487

C[C@@H]1CC(CCN1Cc1ccc(N(C)C)c(C#N)c1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM595506

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#C)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F |r|

BDBM595505

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#C)(C1)n1cc(cn1)-c1c[nH]nc1CO)C(F)(F)F |r|

BDBM595507

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)C1N=CC(=N1)C1C(C)NNC1C)C(F)(F)F |c:23,25|

BDBM380449

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F |r|

BDBM246853

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|

BDBM380426

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C)C(F)(F)F |r|

BDBM380448

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1CO)C(F)(F)F |r|

BDBM380441

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1)C(F)(F)F |r|

BDBM246877

C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM314697

C[C@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C(F)(F)F |r|

BDBM314692

C[C@H](NC(=O)c1ccc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1)C1CC1 |r|

BDBM314706

C[C@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM314709

C[C@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM314702

C[C@H](NC(=O)c1ccc(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CCCCC1 |r|

BDBM314689

C[C@H](NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|

BDBM314698

C[C@H](NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|

BDBM595502

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#C)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|

BDBM380445

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|

BDBM314722

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C(F)(F)F |r|

BDBM314728

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|

BDBM380039

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1C)C(F)(F)F |r|

BDBM314718

C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|

BDBM344061

C[C@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM544152

C[C@H]1CC(CCN1C(=O)c1cccc(F)c1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM400642

C[C@H]1CC(CCN1Cc1c(F)cccc1Cl)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM400488

C[C@H]1CC(CCN1Cc1ccc(N(C)C)c(C#N)c1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM400311

Cc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(C)o1

BDBM400359

Cc1cc(C)c(CC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(C)c1

BDBM400432

Cc1cc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400442

Cc1cc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)n(C)n1

BDBM448619

Cc1cc(ccc1NC(=O)N1CCCCC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400319

Cc1cc(cs1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400354

Cc1ccc(C#N)c(n1)N1CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400413

Cc1ccc(Cl)cc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400434

Cc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(C)n1

BDBM400445

Cc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)n1

BDBM400310

Cc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400326

Cc1ccc(s1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400406

Cc1cccc(Cl)c1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400430

Cc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400324

Cc1ccsc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448671

Cc1cncc(Cl)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400436

Cc1csc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)n1

BDBM400325

Cc1csc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400262

Cc1nc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(o1)C(F)(F)F

BDBM400444

Cc1nc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400437

Cc1nc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)sc1C

BDBM400529

Cc1nc(ccc1N(N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(=O)N1CCCCC1)C(F)(F)F

BDBM400450

Cc1nc(ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM448719

Cc1nc(ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400503

Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344050

Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1 |r|

BDBM344057

Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@H](O)C1 |r|

BDBM410250

Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|

BDBM344064

Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:13.15,wD:16.19,(-4.98,1.37,;-3.89,.28,;-4.51,-1.13,;-3.37,-2.16,;-3.37,-3.7,;-2.04,-4.47,;-.7,-3.7,;.76,-4.18,;1.67,-2.93,;.76,-1.69,;-.7,-2.16,;-2.04,-1.39,;-2.36,.12,;-1.27,1.2,;-1.66,2.69,;-.58,3.78,;.91,3.38,;2,4.47,;3.49,4.07,;4.98,3.67,;1.31,1.89,;.22,.81,)|

BDBM344054

Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM410249

Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1 |r|

BDBM344049

Cc1nc2cnc3ccsc3n2c1-c1ccc(CC#N)cc1

BDBM400443

Cc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM410255

Cc1nn2cnc3ccsc3c2c1-c1ccc(CC#N)cc1

BDBM400504

Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400475

Cc1onc(c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)-c1ccccc1

BDBM400275

Clc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)s1

BDBM400455

Clc1cc(Cl)cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400269

Clc1cc(Cl)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400557

Clc1cc(ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C#N

BDBM400429

Clc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1

BDBM400537

Clc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(c1)C#N

BDBM400440

Clc1ccc(cc1)-c1csc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)n1

BDBM400357

Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400351

Clc1ccc(cc1)C1CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |(13.39,-18.88,;12,-18.22,;10.73,-19.09,;9.34,-18.43,;9.22,-16.89,;10.49,-16.02,;11.88,-16.68,;7.83,-16.23,;6.56,-17.1,;5.17,-16.44,;5.05,-14.9,;6.32,-14.03,;7.71,-14.69,;3.66,-14.24,;2.39,-15.11,;3.54,-12.7,;2.15,-12.04,;2.03,-10.5,;3.3,-9.63,;4.69,-10.3,;4.81,-11.83,;3.18,-8.1,;2.01,-7.1,;3.01,-5.93,;3.71,-4.55,;5.25,-4.47,;6.78,-4.39,;4.18,-6.93,;2.1,-4.68,;2.58,-3.22,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)|

BDBM400323

Clc1ccc(s1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400464

Clc1cccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1Cl

BDBM400358

Clc1cccc(Cl)c1CC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400405

Clc1cccc(Cl)c1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400428

Clc1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400264

Clc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400258

Clc1cccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400554

Clc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400408

Clc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400322

Clc1ccsc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400482

Clc1cncc(Cl)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400459

Clc1nc2ccccc2cc1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400439

Cn1c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc2ccccc12

BDBM400495

Cn1ccc(n1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400502

Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400490

Cn1nccc1S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314727

FC(F)(F)C1(CC1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM314704

FC(F)(F)C1(CC1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314720

FC(F)(F)C1(CC1)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400344

FC(F)(F)C1CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |(-8.64,-1.25,;-7.67,-2.44,;-6.47,-1.47,;-8.86,-3.41,;-6.7,-3.64,;-7.25,-5.08,;-6.28,-6.27,;-4.76,-6.03,;-4.21,-4.6,;-5.18,-3.4,;-3.79,-7.23,;-4.34,-8.67,;-2.27,-6.99,;-1.3,-8.19,;.22,-7.95,;.77,-6.51,;-.2,-5.31,;-1.72,-5.55,;2.29,-6.27,;3.54,-7.17,;4.45,-5.93,;5.69,-6.83,;5.53,-8.36,;5.37,-9.89,;3.2,-5.02,;5.35,-4.68,;4.87,-3.22,;6.12,-2.31,;7.37,-3.22,;6.89,-4.68,;6.12,-.77,;7.45,,;7.45,1.54,;6.12,2.31,;4.79,1.54,;3.32,2.02,;2.42,.77,;3.32,-.48,;4.79,,)|

BDBM314723

FC(F)(F)CNC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400427

FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1

BDBM400266

FC(F)(F)Oc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400403

FC(F)(F)Oc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314725

FC(F)(F)[C@@H](NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|

BDBM314729

FC(F)(F)[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C1CC1 |r|

BDBM314719

FC(F)(F)[C@@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1CC1 |r|

BDBM400585

FC(F)(F)c1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(cnc3[nH]ccc23)C#N)c(Cl)cn1

BDBM400542

FC(F)(F)c1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(Cl)cn1

BDBM400586

FC(F)(F)c1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)cn1

BDBM400299

FC(F)(F)c1cc(Cl)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400555

FC(F)(F)c1cc(ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C#N

BDBM400390

FC(F)(F)c1cc(ccn1)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:20:18:14.15:12|

BDBM400303

FC(F)(F)c1cc(ccn1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400456

FC(F)(F)c1ccc(Cl)c(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400412

FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1

BDBM400534

FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)cn1

BDBM400389

FC(F)(F)c1ccc(cn1)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:20:18:14.15:12|

BDBM400340

FC(F)(F)c1ccc2cc(sc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400411

FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400433

FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)n1

BDBM400267

FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400512

FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400341

FC(F)(F)c1cccc2cc(sc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400339

FC(F)(F)c1cccc2sc(cc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400402

FC(F)(F)c1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400446

FC(F)(F)c1cccnc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448724

FC(F)(F)c1cccnc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400552

FC(F)(F)c1ccncc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400535

FC(F)(F)c1ccncc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400545

FC(F)(F)c1cnc(cn1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400591

FC(F)(F)c1cnc(cn1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400544

FC(F)(F)c1cncc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400332

FC(F)(F)c1cncc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400551

FC(F)(F)c1cnccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400400

FC(F)(F)c1cnccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400594

FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400588

FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400590

FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400623

FC(F)(F)c1nc(CN2CCC(F)(F)C2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400616

FC(F)(F)c1nc(CN2CCC2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400620

FC(F)(F)c1nc(CN2CCCC2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400543

FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM246870

FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400589

FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM314724

FC(F)CNC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400409

FC(F)Oc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM314699

FC1(F)CC(C1)NC(=O)c1ccc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448582

FC1(F)CCC(CC1)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:18:16:10:12.13|

BDBM400546

FC1(F)CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400346

FC1(F)CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448605

FC1=C(NC(=O)N2CCCCC2)C=CC(F)(C1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |c:1,13|

BDBM448610

FC1C=C(NC(=O)N2CCCCC2)C=CC1(F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |c:14,t:2|

BDBM400622

F[C@@H]1CCN(Cc2cc(nc(n2)C(F)(F)F)C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)C1 |r|

BDBM400621

F[C@H]1CCN(Cc2cc(nc(n2)C(F)(F)F)C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)C1 |r|

BDBM400605

F[C@H]1CN(CC[C@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(c1F)C(F)(F)F |r|

BDBM400606

F[C@H]1CN(CC[C@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(n1)C(F)(F)F |r|

BDBM400457

Fc1c(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cccc1C(F)(F)F

BDBM400476

Fc1c(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)ccnc1C(F)(F)F

BDBM400481

Fc1c(Cl)ccc(c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400422

Fc1c(Cl)cccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400415

Fc1c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cccc1C(F)(F)F

BDBM400525

Fc1c(OC(F)(F)F)cccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400252

Fc1c(cccc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400388

Fc1c(ccnc1C(F)(F)F)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:21:19:13:15.16|

BDBM400609

Fc1c(ccnc1C(F)(F)F)C(=O)N1CC2COCC(C1)C2N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |TLB:22:21:20.13.14:16.17.18|

BDBM400576

Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM400538

Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM246868

Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400505

Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400274

Fc1cc(Br)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400300

Fc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c(F)c1F

BDBM400474

Fc1cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)ccc1C#N

BDBM400273

Fc1cc(Cl)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400423

Fc1cc(Cl)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400353

Fc1cc(Cl)cnc1N1CCC(CC1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400295

Fc1cc(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400302

Fc1cc(F)c(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F

BDBM400418

Fc1cc(F)c(F)c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400294

Fc1cc(F)c(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400460

Fc1cc(F)cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400639

Fc1cc(F)cc(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400420

Fc1cc(F)cc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400247

Fc1cc(F)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448608

Fc1cc(N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)cc1NC(=O)N1CCCCC1

BDBM448609

Fc1cc(NC(=O)N2CCCCC2)cc(F)c1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400584

Fc1cc(cc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)C#N

BDBM400362

Fc1cc(cc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)-c1cccnc1

BDBM400329

Fc1cc(cc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N

BDBM400509

Fc1cc(cc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C#N

BDBM400249

Fc1cc(cc(F)c1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400374

Fc1cc(cc(c1)-c1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N

BDBM400383

Fc1cc(cc(c1)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N |THB:17:15:9:11.12|

BDBM400560

Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12)C#N

BDBM400577

Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)C#N

BDBM400263

Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N

BDBM400507

Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C#N

BDBM400268

Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400518

Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400364

Fc1cc(ccc1-c1ccc(cc1)C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400380

Fc1cc(ccc1-c1ccc2cccnc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400379

Fc1cc(ccc1-c1ccc2ccncc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400361

Fc1cc(ccc1-c1ccc2cnccc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400244

Fc1cc(ccc1-c1ccc2ncccc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400381

Fc1cc(ccc1-c1ccc2nccn2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400371

Fc1cc(ccc1-c1cccc(c1)C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400378

Fc1cc(ccc1-c1cccc2cccnc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400377

Fc1cc(ccc1-c1cccc2ccncc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448564

Fc1cc(ccc1-c1cccc2cnccc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400375

Fc1cc(ccc1-c1cccc2ncccc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400370

Fc1cc(ccc1-c1ccccc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400369

Fc1cc(ccc1-c1cccnc1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400363

Fc1cc(ccc1-c1ccncc1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM448571

Fc1cc(ccc1-c1nc2ccccc2o1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400368

Fc1cc(ccc1-c1nccs1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400365

Fc1cc(ccc1C#N)-c1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400386

Fc1cc(ccc1C#N)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:19:17:13.14:11|

BDBM544327

Fc1cc(ccc1C#N)C(=O)N1CCC(CC1)N1CC(C1CC#N)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400569

Fc1cc(ccc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400578

Fc1cc(ccc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM400312

Fc1cc(ccc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400561

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12)C#N

BDBM448773

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)C#N

BDBM400539

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C#N

BDBM400366

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)-c1cccnc1

BDBM400328

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400508

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C#N

BDBM400516

Fc1cc(ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400298

Fc1cc(ccc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400511

Fc1cc(ccc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400461

Fc1cc(ccc1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400387

Fc1cc(ccc1Cl)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:18:16:10:12.13|

BDBM400309

Fc1cc(ccc1Cl)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400556

Fc1cc(ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)C#N

BDBM400288

Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400292

Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1F

BDBM400524

Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F

BDBM400462

Fc1ccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400465

Fc1ccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1C#N

BDBM400637

Fc1ccc(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400638

Fc1ccc(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F

BDBM400473

Fc1ccc(Cl)c(F)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400293

Fc1ccc(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F

BDBM400514

Fc1ccc(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c1F

BDBM400486

Fc1ccc(F)c(CN2C3CCC2CC(C3)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1Cl |THB:16:14:8:10.11|

BDBM400419

Fc1ccc(F)c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM400289

Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400522

Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400530

Fc1ccc(N(N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)C(=O)N2CCCCC2)c(F)c1

BDBM400572

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(c1)C(F)(F)F

BDBM400549

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(Cl)c1

BDBM400548

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1

BDBM400547

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(c1)C(F)(F)F

BDBM400407

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)c1

BDBM400416

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400417

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1F

BDBM246869

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F

BDBM400421

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F

BDBM400533

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(Cl)c1

BDBM448720

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400527

Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F

BDBM400513

Fc1ccc(OC(F)(F)F)cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400510

Fc1ccc(c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400314

Fc1ccc(cc1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400367

Fc1ccc(cc1-c1nccs1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400562

Fc1ccc(cc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400517

Fc1ccc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400519

Fc1ccc(cc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM544275

Fc1ccc(cc1CN1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400279

Fc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400373

Fc1ccc(cc1F)-c1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400384

Fc1ccc(cc1F)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:18:16:10:12.13|

BDBM400280

Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400521

Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400563

Fc1ccc(nc1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400337

Fc1ccc2c(Cl)c(sc2c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400287

Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F

BDBM400520

Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c1F

BDBM400472

Fc1cccc(Cl)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400290

Fc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400523

Fc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400401

Fc1cccc(F)c1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400270

Fc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400291

Fc1cccc(c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400458

Fc1cccc(c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400338

Fc1cccc2sc(C(=O)N3CCC(CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)c(Cl)c12

BDBM400313

Fc1ccccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400553

Fc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM400414

Fc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400447

Fc1cccnc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400536

Fc1cccnc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400448

Fc1cnc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1

BDBM400600

Fc1cnc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)C(F)(F)F

BDBM400587

Fc1cnc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM448764

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1(C=CN=CC1NC(=O)N1CCCCC1)C(F)(F)F |c:27,29|

BDBM448765

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1(NC(=O)N2CCCCC2)C=CN=CC1C(F)(F)F |c:37,39|

BDBM400571

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)C1CCC(F)(F)CC1

BDBM400575

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)Nc1ccncc1C(F)(F)F

BDBM400574

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)Nc1cnccc1C(F)(F)F

BDBM400573

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)Nc1ncccc1C(F)(F)F

BDBM400559

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cc(cc(c1)C#N)C#N

BDBM400568

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cc(ccc1C#N)C#N

BDBM400570

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cc(ncc1Cl)C(F)(F)F

BDBM400558

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F

BDBM400597

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1ccnc(n1)C(F)(F)F

BDBM400598

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cnc(cn1)C(F)(F)F

BDBM400596

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cncc(n1)C(F)(F)F

BDBM448763

Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)c1ccnc(NC(=O)N2CCCCC2)c1C(F)(F)F

BDBM400565

Fc1cncc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400307

Fc1cncc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400564

Fc1cnccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM400477

N#CCC1(CN(C1)C1CCN(Cc2cc3ccccc3o2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400466

N#CCC1(CN(C1)C1CCN(Cc2ccc(cc2)-c2conn2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400479

N#CCC1(CN(C1)C1CCN(Cc2ccc3OCCOc3c2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400478

N#CCC1(CN(C1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400468

N#CCC1(CN(C1)C1CCN(Cc2cccc(c2)C#N)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400467

N#CCC1(CN(C1)C1CCN(Cc2ccccc2C#N)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344090

N#CC[C@@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12 |r|

BDBM344106

N#CC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12 |r,wU:6.9,wD:3.2,(2.53,5.96,;2.93,4.47,;3.33,2.98,;2.24,1.89,;.75,2.29,;-.34,1.2,;.06,-.28,;1.55,-.68,;2.64,.41,;-1.03,-1.37,;-2.56,-1.21,;-3.33,.12,;-2.56,1.46,;-1.79,2.79,;-3.19,-2.62,;-2.04,-3.65,;-2.04,-5.19,;-.71,-5.96,;.63,-5.19,;2.09,-5.66,;3,-4.42,;2.09,-3.17,;.63,-3.65,;-.71,-2.88,)|

BDBM344042

N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CC1 |r,wU:6.9,wD:3.2,(5.48,3.68,;4,4.07,;2.51,4.47,;1.42,3.38,;-.07,3.78,;-1.16,2.69,;-.76,1.2,;.73,.81,;1.82,1.89,;-1.85,.12,;-3.38,.28,;-4.01,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.53,-4.47,;-.19,-3.7,;1.27,-4.18,;2.18,-2.93,;1.27,-1.69,;-.19,-2.16,;-1.53,-1.39,;-4.15,1.61,;-4.15,3.15,;-5.48,2.38,)|

BDBM344044

N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CNC1 |r,wU:6.9,wD:3.2,(5.56,3.68,;4.07,4.07,;2.59,4.47,;1.5,3.38,;.01,3.78,;-1.08,2.69,;-.68,1.2,;.81,.81,;1.89,1.89,;-1.77,.12,;-3.3,.28,;-3.93,-1.13,;-2.78,-2.16,;-2.78,-3.7,;-1.45,-4.47,;-.12,-3.7,;1.35,-4.18,;2.25,-2.93,;1.35,-1.69,;-.12,-2.16,;-1.45,-1.39,;-4.07,1.61,;-3.67,3.1,;-5.16,3.5,;-5.56,2.01,)|

BDBM344041

N#CC[C@H]1CC[C@@H](CC1)n1c2c(cnc3ccsc23)[nH]\c1=N/C#N |r,wU:6.9,wD:3.2,(3.41,3.68,;1.93,4.07,;.44,4.47,;-.65,3.38,;-2.14,3.78,;-3.23,2.69,;-2.83,1.2,;-1.34,.81,;-.25,1.89,;-3.92,.12,;-3.6,-1.39,;-4.93,-2.16,;-4.93,-3.7,;-3.6,-4.47,;-2.26,-3.7,;-.8,-4.18,;.11,-2.93,;-.8,-1.69,;-2.26,-2.16,;-6.08,-1.13,;-5.45,.28,;-6.22,1.61,;-7.55,2.38,;-9.09,2.38,)|

BDBM344089

N#CC[C@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12 |r|

BDBM344059

N#CC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)C1CC1 |r|

BDBM448703

NC(=O)CC1(CN(C1)C1CCN(CC1)C(=O)c1cc(OC(F)(F)F)ccc1F)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM448730

NC(=O)CC1(CN(C1)C1CCN(CC1)C(=O)c1ccc(O)c(F)c1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM448770

NC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cc(Br)cc(Br)c1

BDBM448769

NC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cc(Br)ccc1Br

BDBM400350

O=C(C1CCC(CC1)c1ccccc1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |(2.39,-15.11,;3.66,-14.24,;5.05,-14.9,;5.17,-16.44,;6.56,-17.1,;7.83,-16.23,;7.71,-14.69,;6.32,-14.03,;9.22,-16.89,;10.49,-16.02,;11.88,-16.68,;12,-18.22,;10.73,-19.09,;9.34,-18.43,;3.54,-12.7,;2.15,-12.04,;2.03,-10.5,;3.3,-9.63,;4.69,-10.3,;4.81,-11.83,;3.18,-8.1,;2.01,-7.1,;3.01,-5.93,;3.71,-4.55,;5.25,-4.47,;6.78,-4.39,;4.18,-6.93,;2.1,-4.68,;2.58,-3.22,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)|

BDBM400391

O=C(C1CCCC1)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:15:13:7:9.10|

BDBM400347

O=C(C1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400393

O=C(C1CCCCC1)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:16:14:8:10.11|

BDBM400253

O=C(C1CCCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400348

O=C(C1CCCCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400352

O=C(C1CCN(CC1)c1ccc(cn1)C#N)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400392

O=C(C1CCOCC1)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:16:14:10.11:8|

BDBM400343

O=C(C1CCc2ccccc2C1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400345

O=C(C1Cc2ccccc2C1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400355

O=C(Cc1ccccc1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400531

O=C(N(N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)c1ccccc1C#N)N1CCCCC1

BDBM400582

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)c1cc(cc(c1)C#N)C#N

BDBM400581

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)c1cc(ccc1C#N)C#N

BDBM400583

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N)c1ccc(cc1)C#N

BDBM448522

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1nccc2[nH]ccc12)c1cnc2ccccc2c1

BDBM400356

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C1(CC1)c1ccccc1

BDBM400336

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cc2ccccc2s1

BDBM400372

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)-c1ccc(cc1)C#N

BDBM400376

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)-c1cccc2cnccc12

BDBM400360

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)-c1ccccc1

BDBM400382

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)-c1nc2ccccc2o1

BDBM400257

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)C#N

BDBM400335

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc2ncccc2c1

BDBM400256

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cccc(c1)C#N

BDBM400333

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cccc2ccccc12

BDBM400254

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1

BDBM400255

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1C#N

BDBM400315

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cccs1

BDBM400260

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccsc1

BDBM400334

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cnc2ccccc2c1

BDBM400259

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cnccn1

BDBM400342

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1csc2ccccc12

BDBM400261

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ncco1

BDBM400506

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)c1cccc(c1)C#N

BDBM400515

O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)c1cccs1

BDBM448721

O=C(Nc1ccccc1C#N)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

BDBM400424

O=C(Nc1ccsc1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400438

O=C(Nc1nc2ccccc2s1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400435

O=C(Nc1nccs1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400635

O=C(OCC1CC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400631

O=C(OCC1CCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400640

O=C(OCC1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400641

O=C(OCC1CCCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400633

O=C(OCc1ccccc1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400500

O=S(=O)(C1CC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400497

O=S(=O)(C1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400496

O=S(=O)(C1CCCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400493

O=S(=O)(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccc(cc1)C#N

BDBM400492

O=S(=O)(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cccc(c1)C#N

BDBM400491

O=S(=O)(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1C#N

BDBM344088

OCC1(CCC(CC#N)CC1)n1cnc2cnc3ccsc3c12 |(-3.03,3.99,;-3.03,2.45,;-1.7,1.68,;-.61,.59,;.88,.99,;1.28,2.48,;2.77,2.88,;3.86,1.79,;4.94,.7,;.19,3.57,;-1.3,3.17,;-2.79,.59,;-4.32,.75,;-4.94,-.65,;-3.8,-1.68,;-3.8,-3.22,;-2.46,-3.99,;-1.13,-3.22,;.33,-3.7,;1.24,-2.45,;.33,-1.21,;-1.13,-1.68,;-2.46,-.91,)|

BDBM523216

OC[C@@]1(CC[C@H](CC#N)CC1)n1cnc2cnc3ccsc3c12 |r,wU:5.5,wD:2.11,(-3.03,3.99,;-3.03,2.45,;-1.7,1.68,;-.61,.59,;.88,.99,;1.28,2.48,;2.77,2.88,;3.85,1.79,;4.94,.7,;.19,3.57,;-1.3,3.17,;-2.79,.59,;-4.32,.75,;-4.94,-.65,;-3.8,-1.68,;-3.8,-3.22,;-2.47,-3.99,;-1.13,-3.22,;.33,-3.7,;1.24,-2.45,;.33,-1.21,;-1.13,-1.68,;-2.47,-.91,)|

BDBM400625

OCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM344033

OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:14.16,wD:17.20,(-5.59,1.61,;-4.05,1.61,;-3.28,.28,;-3.9,-1.13,;-2.76,-2.16,;-2.76,-3.7,;-1.42,-4.47,;-.09,-3.7,;1.37,-4.18,;2.28,-2.93,;1.37,-1.69,;-.09,-2.16,;-1.42,-1.39,;-1.74,.12,;-.66,1.2,;-1.05,2.69,;.03,3.78,;1.52,3.38,;2.61,4.47,;4.1,4.07,;5.59,3.68,;1.92,1.89,;.83,.81,)|

BDBM344107

OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|

BDBM400304

Oc1cc(ccc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

BDBM400317

Oc1cc(sc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F

BDBM400567

Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1

BDBM400541

Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1

BDBM400526

Oc1ccc(cc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12