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858 SMILES Strings for Cyclin-dependent kinase 6

Compound NameSMILES String
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
BDBM6619 O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM50001533 C1CCC(C1)n1c2nnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM50001586 Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM50001587 Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
BDBM59087 O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
BDBM50001532 N#Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM50001534 C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM50001536 C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM50001539 CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM50001537 CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |(35.98,-56.71,;35.51,-55.25,;34.01,-54.92,;33.54,-53.46,;34.57,-52.32,;36.08,-52.63,;36.55,-54.1,;34.1,-50.85,;35.01,-49.6,;36.54,-49.45,;37.17,-48.04,;36.26,-46.79,;34.73,-46.95,;34.11,-48.35,;32.64,-48.83,;31.29,-48.06,;29.97,-48.84,;29.98,-50.37,;28.65,-51.14,;28.65,-52.68,;29.99,-53.45,;29.99,-55,;28.66,-55.77,;27.32,-55,;27.33,-53.45,;28.66,-57.31,;27.32,-58.08,;27.31,-59.61,;28.64,-60.38,;29.98,-59.62,;29.99,-58.07,;31.31,-51.14,;32.63,-50.37,)|
BDBM50001584 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM50001585 Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM50186375 CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50267760 COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
BDBM50267523 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
BDBM50267565 COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
BDBM50267607 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
BDBM50321461 Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50358213 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM50347388 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
BDBM50347389 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
BDBM50363196 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM132595 C[C@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nc1 |r|
BDBM50378824 CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50440135 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
BDBM50440136 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
BDBM50440137 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
BDBM50440138 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
BDBM50440139 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50013510 COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
BDBM132365 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCCC3)nc12
BDBM132368 NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132475 OC(=O)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(O)nccc32)nc1
BDBM132476 O=C1CN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CCN1
BDBM132477 O=C1CNCCN1Cc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132478 O=S(=O)(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132479 Fc1nccc2c3cnc(Nc4ccc(cn4)S(=O)(=O)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM132694 C[C@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132695 OCC(CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132696 OC[C@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132697 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N3CCOCC3)nc12
BDBM132698 OC1CN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132699 O[C@@H]1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132260 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132261 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
BDBM132262 C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132263 Cc1cc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)cnc1N1CCNCC1
BDBM132264 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
BDBM132265 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12
BDBM132371 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCCNCC3)nc12
BDBM132480 CN(C)C1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132481 CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132484 C1CN(CCN1)c1ccc(Nc2cc3n(-c4ccccc4)c4cnccc4c3cn2)nc1
BDBM132485 FC(F)(F)c1cccc(c1)-n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132486 C(c1ccsc1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132592 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCC2)c2cnccc32)nc1
BDBM132593 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc12 |r|
BDBM132594 CC1(C)CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nc1
BDBM132596 CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nc1
BDBM132700 O[C@H]1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132701 O[C@@H]1CCCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132702 O[C@H]1CCCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132703 OCCCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132704 CCN(CCO)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132705 OC1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132710 C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132266 C1CCC(C1)n1c2cnccc2c2cnc(Nc3cnc(nc3)N3CCNCC3)nc12
BDBM132267 C[C@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132269 NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132271 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132272 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)nc1
BDBM132487 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132488 C(c1cccs1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132489 OC(=O)Cc1ccc(cc1)-n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132490 C1CC(CS1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12 |w:2.1|
BDBM132491 C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
BDBM132597 C1CC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
BDBM132598 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCC2)c2cnccc32)nn1
BDBM132599 CC1(C)CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nn1
BDBM132600 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@@H]4CCNC4)c3n2)nc1 |r|
BDBM132601 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(CCCO)c3n2)nc1
BDBM132602 C[C@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(CCCO)c3n2)nc1 |r|
BDBM132603 OCCCn1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
BDBM132706 FC(F)(F)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132707 CN(CCO)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132708 OCCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132709 C[C@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132273 Fc1ccc(cc1)-n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132274 COc1ccc(cc1)-n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132275 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)cc1
BDBM132276 O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132277 O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132278 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCOCC2)c2cnccc32)nc1
BDBM132279 C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
BDBM132604 OCCCn1c2cnccc2c2cnc(Nc3ccc(nn3)N3CC[C@@H](O)C3)nc12 |r|
BDBM132605 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CCC[C@H]4O)c3n2)nc1 |r|
BDBM132606 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CCC[C@H]4O)c3n2)nn1 |r|
BDBM132607 C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM132608 C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12 |r|
BDBM132609 C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CC[C@@H](O)C3)nc12 |r|
BDBM132712 O[C@H]1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1 |r|
BDBM132713 OC1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132714 CCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132715 C1CC1NC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132716 CCCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132717 FCCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132280 C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132281 C1CC2CC1CC2n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |THB:7:6:0.1:3|
BDBM132282 C1Cc2ccccc2C1n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132283 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(c2cnccc32)C23CC4CC(CC(C4)C2)C3)nc1 |TLB:31:30:33:27.26.25,31:26:33:30.32.29,17:24:27:30.31.29,THB:32:30:27:33.24.25,32:24:27:30.31.29|
BDBM132284 CC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132285 C[C@H](C1CCCCC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM132286 C[C@@H](C1CCCCC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM132391 CCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132393 CCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132394 CCOC(=O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132395 C(N1CCOCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132396 COCCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132397 COCCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132503 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nn1
BDBM132504 C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nn1 |r|
BDBM132505 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC=CC3)nc12 |c:29|
BDBM132506 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)C3=CCNCC3)nc12 |t:26|
BDBM132507 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)C3=CCNCC3)nc12 |t:26|
BDBM132612 O[C@@H]1CCC[C@@H]1n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM132718 C1CC(C1)NC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132719 CC(C)NC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132720 FC(F)(F)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132721 CN(CC(O)=O)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132722 COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132723 CCN(CCO)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132287 C1CC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132288 O[C@H]1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wD:1.0,(4.94,-2.6,;4.17,-1.26,;4.94,.07,;4.17,1.4,;2.63,1.4,;1.86,.07,;2.63,-1.26,;1.86,2.74,;2.76,3.98,;4.3,4.14,;4.92,5.55,;4.02,6.8,;2.49,6.64,;1.86,5.23,;.39,4.75,;-.94,5.52,;-2.27,4.75,;-2.27,3.21,;-3.61,2.44,;-3.61,.9,;-2.27,.13,;-2.27,-1.41,;-3.61,-2.18,;-4.94,-1.41,;-4.94,.13,;-3.61,-3.72,;-4.94,-4.49,;-4.94,-6.03,;-3.61,-6.8,;-2.27,-6.03,;-2.27,-4.49,;-.94,2.44,;.39,3.21,)|
BDBM132289 C(C1CCCCC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132290 CC1(CCC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132291 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCCCCC2)c2cnccc32)nc1
BDBM132292 C1CCC(C1)n1c2ncccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132293 C1CCC(C1)n1c2ncccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
BDBM132398 CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132399 CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132400 COc1nccc2c3cnc(Nc4ccc(cn4)N4CCC(CC4)N(C)C)nc3n(C3CCCC3)c12
BDBM132508 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)C3CCNCC3)nc12
BDBM132509 CN(C)[C@H]1CN(CC[C@@H]1O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132510 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)-c3ccncc3)nc12
BDBM132511 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)-c3ccncc3)nc12
BDBM132512 COc1ccc(cn1)-c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132513 COc1cc(ccn1)-c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132724 OC1CN(C1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132725 C[C@@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132726 COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132727 OC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132728 OC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132729 CN(C)CCN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132294 C1CCC(C1)n1c2ccccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132295 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCOCC2)c2ccccc32)nc1
BDBM132296 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCCCCC2)c2ccccc32)nc1
BDBM132297 C1CC2CC1CC2n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |THB:7:6:0.1:3|
BDBM132298 N#Cc1ccc2c(c1)n(C1CCCC1)c1nc(Nc3ccc(cn3)N3CCNCC3)ncc21
BDBM132299 COc1cc2c(cn1)n(C1CCCC1)c1nc(Nc3ccc(cn3)N3CCNCC3)ncc21
BDBM132300 Oc1cc2c(cn1)n(C1CCCC1)c1nc(Nc3ccc(cn3)N3CCNCC3)ncc21
BDBM132406 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(Cl)c4n(C4CCCC4)c3n2)nc1
BDBM132409 CCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12
BDBM132410 CCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132411 CN(C)C1CC2CCC(C1)N2c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1 |TLB:1:3:10:6.7|
BDBM132515 Oc1cc(ccn1)-c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132516 O=S1(=O)CCC(=CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1 |c:5|
BDBM132517 Oc1ccc(cn1)-c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132521 O=S1(=O)CCC(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132730 CN(C)CCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132731 OC[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132732 CN(C)[C@@H]1CN(CC[C@H]1O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132733 CN(C)C1CN(CCC1O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132301 OCC1(CCCC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132302 CC(C)(CO)Cn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132303 C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCOCC2)c2ccccc32)cc1
BDBM132304 C1CCC(C1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
BDBM132305 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc12
BDBM132306 O=C(N1CCNCC1)c1csc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)n1
BDBM132307 O=C(N1CCNCC1)c1cnc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)s1
BDBM132413 CC(C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12
BDBM132414 CCC(CC)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132415 CCC(CC)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CC[C@@H](O)C3)nc12 |r|
BDBM132416 CCC(CC)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12
BDBM132417 C(N1CCNCC1)c1csc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)n1
BDBM132418 O[C@H]1CCN(Cc2csc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)n2)C1 |r|
BDBM132522 Fc1nccc2c3cnc(Nc4ccc(cn4)C4=CCS(=O)(=O)CC4)nc3n(C3CCCC3)c12 |t:18|
BDBM132523 NC1[C@@H]2CN(C[C@H]12)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132308 Cc1cc(cnc1Nc1ncc2c3ccncc3n(C3CCCC3)c2n1)N1CCNCC1
BDBM132309 COc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM132310 O=c1[nH]ccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
BDBM132420 FC(F)(F)C1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132421 C1CCC(C1)n1c2cnsc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132422 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(CC4CC4)c3n2)nn1
BDBM132317 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(N[C@@H]4CCNC4)cn3)nc12 |r|
BDBM132318 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(N[C@H]4CCNC4)cn3)nc12 |r|
BDBM132319 O=S1(=O)CCC(C1)Nc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132320 O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nc1
BDBM132539 CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132540 CN(C)[C@@H]1CCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132323 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(NC4CCNCC4)cn3)nc12
BDBM132434 O[C@H]1CCN(Cc2csc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)n2)C1 |r|
BDBM132435 COc1ccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c2n1
BDBM132436 Oc1ccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c2n1
BDBM132437 Cn1c2n(C3CCCC3)c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3c2ccc1=O
BDBM132438 Cn1c2n(C3CCCC3)c3nc(Nc4ccc(cn4)N4CC[C@@H](O)C4)ncc3c2ccc1=O |r|
BDBM132439 O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(F)nccc32)nc1 |r|
BDBM132541 CN(C)CCCN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132542 CN(CCO)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132543 OCCNc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132544 C[C@@H](O)CNc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132545 C[C@H](O)CNc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132546 C[C@H](CO)Nc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132547 C[C@@H](CO)Nc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132331 CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132440 O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(F)nccc32)nc1 |r|
BDBM132441 OCC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
BDBM132442 CC1CN(CC(C)N1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
BDBM132443 OCCC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
BDBM132444 OCCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132548 OCCCNc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132549 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1
BDBM132550 CC1(C)CN(CCN1)c1ccc(Nc2ncc3c4ccccc4n(C4CCCC4)c3n2)nn1
BDBM132551 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nn1
BDBM132552 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nn1
BDBM132553 C[C@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccccc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132554 CC1CN(CC(C)N1)c1ccc(Nc2ncc3c4ccccc4n(C4CCCC4)c3n2)nc1
BDBM132555 O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1 |r|
BDBM132556 O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1 |r|
BDBM132557 CC1CN(CC(C)N1)c1ccc(Nc2ncc3c4ccccc4n(C4CCCC4)c3n2)nn1
BDBM132558 C1CCC(C1)n1c2ccccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
BDBM132559 NC1CCN(CC1)c1ccc(Nc2ncc3c4ccccc4n(C4CCCC4)c3n2)nn1
BDBM132560 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1
BDBM132561 CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
BDBM132345 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(N[C@@H]4CCNC4)nn3)nc12 |r|
BDBM132346 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(N[C@H]4CCNC4)nn3)nc12 |r|
BDBM132347 O=S1(=O)CCC(C1)Nc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132348 O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
BDBM132454 COc1cc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c2nn1
BDBM132562 O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(F)nccc32)nn1 |r|
BDBM132563 COCCn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
BDBM132564 COCCn1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
BDBM132565 COCCn1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12
BDBM132567 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12 |r|
BDBM132568 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN[C@@H](C)C3)nc12 |r|
BDBM132350 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(NC4CCNCC4)nn3)nc12
BDBM132351 C(Nc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1)C1CNC1
BDBM132352 C(Nc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1)C1CCNC1
BDBM132355 NCC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132356 OC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132463 C(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132464 Fc1nccc2c3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3n(C3CCCC3)c12
BDBM132465 Oc1nccc2c3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3n(C3CCCC3)c12
BDBM132569 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)NC)nc12 |r|
BDBM132570 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CC[C@@H](O)C3)nc12 |r|
BDBM132571 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
BDBM132572 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCN[C@@H](C)C3)nc12 |r|
BDBM132573 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CC[C@@H](O)C3)nc12 |r|
BDBM132574 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r|
BDBM132575 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNC(C)(C)C3)nc12 |r|
BDBM132684 CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nn1
BDBM132685 O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCC4)c3n2)nc1 |r|
BDBM132686 C[C@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 |r|
BDBM132687 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N3CCCC3)nc12
BDBM132357 OCC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132358 O[C@@H]1CCCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132359 O[C@H]1CCCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132360 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCOCC3)nc12
BDBM132361 C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCCCC3)nc12
BDBM132362 N[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132363 N[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1 |r|
BDBM132466 OC1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
BDBM132467 OC1CCCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1 |w:1.0|
BDBM132468 CCOC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132469 OC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132470 CCOC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
BDBM132471 OC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
BDBM132472 O=C(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
BDBM132576 CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)NC)nc12 |r|
BDBM132688 OCCNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132689 C[C@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132690 CN(CCO)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM132691 C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132692 C[C@@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
BDBM132693 CNCCN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
BDBM139539 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O
BDBM139540 CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM148264 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM50030881 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
BDBM167699 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
BDBM164883 COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
BDBM164884 COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
BDBM50113281 Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
BDBM50110183 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM253941 CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
BDBM50202484 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CNCCN)nc2n(C2CCCC2)c1=O
BDBM50193104 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
BDBM50202482 CC(=O)OCOC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
BDBM50202483 CCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
BDBM50202485 COCCCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
BDBM50238867 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|
BDBM50240779 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
BDBM50240780 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
BDBM50240781 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
BDBM50240782 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
BDBM354126 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
BDBM370121 C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
BDBM50263013 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
BDBM50270298 CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
BDBM50458051 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
BDBM50451687 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC(F)(F)F)CC3)cn2)ncn1
BDBM50451688 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC4CC4)CC3)cn2)ncn1
BDBM50467169 CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
BDBM50458034 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
BDBM50458035 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
BDBM50458036 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F
BDBM50455065 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1
BDBM50458046 COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM50455066 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
BDBM50455067 CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
BDBM50455052 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2C)CC1
BDBM50455053 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1
BDBM50451671 CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
BDBM50451672 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC3)C3CCCC3)cn2)ncn1
BDBM50451673 CC(C)N1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451674 CCN1CCC(CC1)Oc1cnc(Nc2cc(ncn2)-c2cc(F)c3nc(C)n(C(C)C)c3c2)cn1
BDBM50451676 CCN1CCN(Cc2ccc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50451677 CCN1CCN(Cc2cnc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451678 CCN1CCN(Cc2cnc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451679 COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451680 CCN1CCC(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451681 CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50449544 CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1
BDBM50451685 CCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50455048 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F
BDBM50455049 CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F
BDBM50449551 CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)nc(C)nc2s1
BDBM50455050 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM50455051 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM50455054 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F
BDBM50455057 CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM50449553 Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1
BDBM50455058 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
BDBM50455059 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1
BDBM50455060 CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
BDBM50455061 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
BDBM50455062 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1
BDBM50455063 CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
BDBM50455064 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
BDBM50455068 CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM50455073 CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
BDBM50455074 CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F
BDBM419863 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ncnc4n(C5CCCC5)c(C)cc34)nc2)CC1
BDBM419864 Cn1nc2nc(ccc2c1C1CCCC1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419862 CC(C)n1c(C(=O)N(C)C)c(F)c2c(ncnc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419860 CC(C)n1c(C)nc2cnc(nc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419858 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nnc(C(C)C)n4c3)nc2)CC1
BDBM419859 CC(C)c1nnc2ccc(cn12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419853 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(ccc4c3)C(C)C)nc2)CC1
BDBM419861 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ncc4nc(C)n(C(C)C)c4n3)nc2)CC1
BDBM419854 CC(C)n1ccc2cc(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419855 CC(=O)c1cn(C2CCCC2)c2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419856 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(cc(C(C)=O)c4c3)C3CCCC3)nc2)CC1
BDBM419857 Cc1n(C)nc2cc(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419865 CC(C)n1nc(C(N)=O)c2c(F)c(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419879 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(C(C)C)c(cc4c3F)C(=O)N(C)C)nc2)CC1
BDBM419880 CC(C)n1c(cc2c(F)c(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F)C(=O)N(C)C
BDBM419878 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(C(C)C)c(cc4n3)C(=O)N(C)C)nc2)CC1
BDBM419873 CC(C)n1c(cc2cc(ccc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2CCC2)ncc1F)C1CCCC1
BDBM419874 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(C5CCCC5)c(cc4c3)C(=O)N(C)C)nc2)CC1
BDBM419872 CC(=O)c1cn(C2CCCCCC2)c2ccc(cc12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CCCC3)cn2)ncc1F
BDBM419875 CC(C)n1c(cc2cc(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F)C(C)=O
BDBM419876 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(C(C)C)c(cc4c3)C(C)=O)nc2)CC1
BDBM419877 CC(C)n1c(cc2nc(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F)C(=O)N(C)C
BDBM419885 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nnc(n4c3)C(F)(F)F)nc2)CC1
BDBM419887 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nnc(C(C)=O)n4c3)nc2)CC1
BDBM419886 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncc(C#N)n4c3)nc2)CC1
BDBM419888 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nnc(C5CC5)n4c3)nc2)CC1
BDBM419889 CN(C)C(=O)c1nc2cnc(nc2n1C1CCCC1)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
BDBM419890 CC(C)n1c(nc2cnc(nc12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F)C(C)=O
BDBM419899 CC(C)n1c(C)nc2cnc(nc12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
BDBM419900 CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ncc3nc(C)n(C(C)C)c3n2)nc1
BDBM419866 CN(C)C(=O)c1cc2cc(ccc2n1C1CCCC1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419867 CCC(CC)n1c(cc2cc(ccc12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1Cl)C(C)=O
BDBM419868 CC(C)N1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc4n(C)c(C)c(c4c3)C(F)(F)F)nc2)CC1
BDBM419869 CC(C)c1c(C#N)n(C2CC2)c2ccc(cc12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F
BDBM419870 Fc1cnc(Nc2ccc(CN3CCN(CC3)C3CCCCCC3)cn2)nc1-c1ccc2n(cc(C3CC3)c2c1)C1CCC1
BDBM419871 Fc1cnc(Nc2ccc(CN3CCN(CC3)C3CCCCC3)cn2)nc1-c1ccc2n(cc(C3CCC3)c2c1)C1CCCCC1
BDBM419883 CN(C)C(=O)c1n(C)nc2c(F)c(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419881 CC(=O)c1n(nc2nc(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F)C1CC1
BDBM419882 CC(C)c1n(C)nc2c(Cl)c(ccc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419884 CC(=O)c1nc(C2CC2)n2cc(cc(F)c12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419892 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ncc4nc(C(=O)N(C)C)n(C)c4n3)nc2)CC1
BDBM419891 CCC(CC)n1c(nc2cnc(nc12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F)C(C)C
BDBM419893 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ncnc4n(C5CC5)c(cc34)C(C)=O)nc2)CC1
BDBM419894 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ncnc4n(C)cc(C#N)c34)nc2)CC1
BDBM419895 CN(C)C(=O)c1nn(C2CCCC2)c2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM419896 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(nc(C(C)=O)c4c3)C(C)C)nc2)CC1
BDBM419897 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(nc(C)c4c3F)C3CCCC3)nc2)CC1
BDBM419898 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4n(nc(c4n3)C(F)(F)F)C3CCCC3)nc2)CC1
BDBM435712 CS(=O)(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM435713 CCS(=O)(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM435714 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)S(C)(=O)=O)nc1
BDBM435715 CS(=O)(=O)c1cc2cnc(Nc3ccc(cn3)C3=CCNCC3)nc2n1C1CCCC1 |t:18|
BDBM435716 CS(=O)(=O)c1cc2cnc(Nc3ccc(cn3)C3CCNCC3)nc2n1C1CCCC1
BDBM435717 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3=CCNCC3)nc2n1C1CCCC1 |t:19|
BDBM454542 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
BDBM444600 Cc1nc2c(F)cc(cc2n1C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444545 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
BDBM444479 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444493 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444494 CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1
BDBM444495 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
BDBM444496 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F
BDBM444498 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC(C)(C)O)ncc1F
BDBM444499 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)(C)N(C)C)ncc1F
BDBM444500 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444502 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCCCC2)ncc1F
BDBM444503 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC2CC(O)C2)ncc1F |(7.29,3.08,;5.75,3.08,;4.84,1.83,;3.38,2.31,;2.05,1.54,;2.05,,;.71,2.31,;.71,3.85,;2.05,4.62,;3.38,3.85,;4.84,4.33,;5.24,5.81,;4.15,6.9,;6.73,6.21,;-.62,4.62,;-1.95,3.85,;-3.29,4.62,;-4.62,3.85,;-4.62,2.31,;-3.29,1.54,;-3.29,,;-4.62,-.77,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-7.29,-.77,;-5.96,,;-5.96,1.54,;-5.96,-4.62,;-7.29,-5.39,;-4.62,-5.39,;-3.22,-4.76,;-2.9,-3.26,;-1.39,-3.58,;-.09,-2.74,;-1.68,-4.92,;-3.29,6.16,;-1.95,6.93,;-.62,6.16,;.71,6.93,)|
BDBM444504 Cc1nc2c(F)cc(cc2n1C1CCCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444505 C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F |r,wD:1.0,(6.44,6.68,;6.04,5.19,;4.55,4.79,;4.15,3.3,;5.24,2.22,;6.73,2.61,;7.13,4.1,;4.84,.73,;5.75,-.52,;7.29,-.52,;4.84,-1.76,;3.38,-1.29,;2.05,-2.06,;2.05,-3.6,;.71,-1.29,;.71,.25,;2.05,1.02,;3.38,.25,;-.62,1.02,;-1.95,.25,;-3.29,1.02,;-4.62,.25,;-4.62,-1.29,;-3.29,-2.06,;-3.29,-3.6,;-4.62,-4.37,;-4.62,-5.91,;-5.96,-6.68,;-7.29,-5.91,;-7.29,-4.37,;-5.96,-3.6,;-5.96,-2.06,;-3.29,2.56,;-1.95,3.33,;-.62,2.56,;.71,3.33,)|
BDBM444507 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC[C@H](C)CC5)c4c3)ccc2C1 |r,wD:31.32,(-3.29,-5.52,;-3.29,-7.06,;-4.62,-7.83,;-5.96,-7.06,;-7.29,-7.83,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-4.62,-.13,;-4.62,1.41,;-3.29,2.18,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,;-.62,2.18,;-1.95,1.41,;.71,1.41,;.71,-.13,;2.05,-.9,;2.05,-2.44,;3.38,-.13,;4.84,-.61,;5.75,.64,;7.29,.64,;4.84,1.88,;5.24,3.37,;4.15,4.46,;4.55,5.95,;6.04,6.35,;6.44,7.83,;7.13,5.26,;6.73,3.77,;3.38,1.41,;2.05,2.18,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,)|
BDBM444510 C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F |r,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-5.96,-7.06,;-7.29,-7.83,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
BDBM444512 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
BDBM444516 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
BDBM444518 Cc1nc2c(F)cc(cc2n1C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444519 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(N)C2)ncc1F |(4.15,7.06,;5.24,5.97,;6.73,6.37,;4.84,4.49,;5.75,3.24,;7.29,3.24,;4.84,1.99,;3.38,2.47,;2.05,1.7,;2.05,.16,;.71,2.47,;.71,4.01,;2.05,4.78,;3.38,4.01,;-.62,4.78,;-1.95,4.01,;-3.29,4.78,;-4.62,4.01,;-4.62,2.47,;-3.29,1.7,;-3.29,.16,;-4.62,-.61,;-4.62,-2.15,;-5.96,-2.92,;-7.29,-2.15,;-7.29,-.61,;-5.96,.16,;-5.96,1.7,;-5.96,-4.46,;-7.29,-5.23,;-4.62,-5.23,;-4.22,-6.72,;-2.74,-6.32,;-1.4,-7.09,;-3.13,-4.83,;-3.29,6.32,;-1.95,7.09,;-.62,6.32,;.71,7.09,)|
BDBM444520 CC(C)n1c(C)nc2c(cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F)C(F)(F)F
BDBM444521 CNC1CC(C1)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 |(-1.4,-7.86,;-1.4,-6.32,;-2.74,-5.55,;-4.22,-5.95,;-4.62,-4.46,;-3.13,-4.06,;-5.96,-3.69,;-7.29,-4.46,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-4.62,3.24,;-4.62,4.78,;-3.29,5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,;-.62,5.55,;-1.95,4.78,;.71,4.78,;.71,3.24,;2.05,2.47,;2.05,.93,;3.38,3.24,;4.84,2.76,;5.75,4.01,;7.29,4.01,;4.84,5.26,;5.24,6.74,;4.15,7.83,;6.73,7.14,;3.38,4.78,;2.05,5.55,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,)|
BDBM444586 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
BDBM444589 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
BDBM444581 C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444579 C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444522 CN(C)CCNC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444523 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCN(C)C)ncc1F
BDBM444524 CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444525 CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444528 C[C@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444529 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
BDBM444530 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
BDBM444531 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444532 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444533 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444534 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444535 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(C2)N(C)C)ncc1F |(4.15,7.83,;5.24,6.74,;6.73,7.14,;4.84,5.26,;5.75,4.01,;7.29,4.01,;4.84,2.76,;3.38,3.24,;2.05,2.47,;2.05,.93,;.71,3.24,;.71,4.78,;2.05,5.55,;3.38,4.78,;-.62,5.55,;-1.95,4.78,;-3.29,5.55,;-4.62,4.78,;-4.62,3.24,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-5.96,-3.69,;-7.29,-4.46,;-4.62,-4.46,;-4.22,-5.95,;-2.74,-5.55,;-3.13,-4.06,;-1.4,-6.32,;-1.4,-7.86,;-.07,-5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,)|
BDBM444537 Cc1nc2c(F)cc(cc2n1CC1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444538 CN1CCC[C@@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444539 CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444540 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444541 CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM448934 Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1
BDBM444542 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|
BDBM444543 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444546 CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444548 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444549 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444550 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444551 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
BDBM444552 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C2)C#C)ncc1F
BDBM444554 CN(C)C[C@H](O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444555 CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444556 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC4CCCN4CC#C)CCc3n2)ncc1F
BDBM444557 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#C)CCc3n2)ncc1F
BDBM444558 C[C@@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444559 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
BDBM444560 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
BDBM444561 C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
BDBM444562 C[C@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444563 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444564 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444565 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444566 C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
BDBM444567 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444568 Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444569 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444570 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC[Si](C)(C)C)CCc3n2)ncc1F
BDBM444571 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444572 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
BDBM444573 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444574 CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444575 CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444576 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C\C=N\O)CCc3n2)ncc1F
BDBM444577 [#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
BDBM444578 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444526 C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444478 CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444580 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
BDBM444584 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
BDBM444482 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F
BDBM444483 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F
BDBM444484 COC(=O)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444485 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(F)(F)F)CCc3n2)ncc1F
BDBM444585 C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F |r,wU:4.7,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-5.96,-7.06,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
BDBM444587 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=S)CCc3n2)ncc1F
BDBM444501 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444487 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=C)CN(C)C)ncc1F
BDBM444488 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3C(=O)N(CCN(C)C)Cc3n2)ncc1F
BDBM444489 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CC(CCc3n2)C(=O)CN)ncc1F
BDBM444490 COC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444491 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(O)=O)ncc1F
BDBM444492 Cc1nc2c(F)cc(cc2n1C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50519158 Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
BDBM444486 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50526789 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |r|
BDBM50526792 CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
BDBM50526793 CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
BDBM50526797 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM50528817 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM444596 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F
BDBM444597 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
BDBM444598 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
BDBM444599 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(=S)n4ccnc4)CCc3n2)ncc1F
BDBM444601 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCC(N)NO)CCc3n2)ncc1F
BDBM448926 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
BDBM444591 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444602 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C)c4c3)ccc2C1
BDBM444604 CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444605 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444606 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCOCC4)CCc3n2)ncc1F
BDBM444607 CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
BDBM444608 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCP(C)(=O)CC4)CCc3n2)ncc1F
BDBM444609 CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444610 CN(C)CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444611 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CC[Si](C)(C)C
BDBM444612 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(C)=N)CCc3n2)ncc1F
BDBM444613 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444614 CN(C)C(C)(C)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444615 CCOP(=O)(OCC)C1(O)CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |w:8.7|
BDBM444616 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CCP(O)(O)=O
BDBM444617 CCOP(=O)(CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)OCC
BDBM444618 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
BDBM444619 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)C(\C)=N/O
BDBM444620 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
BDBM448940 CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM444621 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444622 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(=O)(CCN(C)(C)=O)CCc3n2)ncc1F
BDBM444623 CCOP(=O)(OCC)N(C)CCN1(=O)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444624 CC(CN(C)C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444625 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(=CC4)B(O)O)CCc3n2)ncc1F |c:32|
BDBM444626 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCS(C)(=O)=O)CCc3n2)ncc1F
BDBM444627 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
BDBM444628 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
BDBM444629 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(CC4)B(O)O)CCc3n2)ncc1F
BDBM444633 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(C)=O)ncc1F
BDBM444634 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
BDBM448950 CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM444593 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444594 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444595 CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM50502338 CCOP(=O)(OCC)N(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM448932 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
BDBM454519 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM50539904 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539721 CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|
BDBM494016 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(\C)=N/O)CCc3n2)ncc1F
BDBM493933 COCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM493938 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CNCCc3n2)ncc1F
BDBM493939 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
BDBM493941 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN)ncc1F
BDBM493942 COC(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM493943 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(O)=O)CCc3n2)ncc1F
BDBM493953 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
BDBM493954 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(O)C2)ncc1F |(4.26,32.34,;5.35,31.25,;6.84,31.65,;4.95,29.76,;5.86,28.51,;7.4,28.51,;4.95,27.27,;3.49,27.74,;2.16,26.97,;2.16,25.43,;.82,27.74,;.82,29.28,;2.16,30.05,;3.49,29.28,;-.51,30.05,;-1.85,29.28,;-3.18,30.05,;-4.51,29.28,;-4.51,27.74,;-3.18,26.97,;-3.18,25.43,;-4.51,24.66,;-4.51,23.12,;-5.85,22.35,;-7.18,23.12,;-7.18,24.66,;-5.85,25.43,;-5.85,26.97,;-5.85,20.81,;-7.18,20.04,;-4.51,20.04,;-4.11,18.56,;-2.63,18.96,;-1.29,18.19,;-3.03,20.44,;-3.18,31.59,;-1.85,32.36,;-.51,31.59,;.82,32.36,)|
BDBM493960 CN(C)C(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493976 CN(C)CCC(=C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493977 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM493982 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(O)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493985 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
BDBM493992 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC#C)C2)ncc1F
BDBM494018 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
BDBM494021 C[C@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM494028 C[C@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
BDBM494029 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
BDBM494032 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM494033 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM494040 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
BDBM494042 CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM494061 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCN(C)(C)=O)CCc3n2)ncc1F
BDBM494066 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
BDBM50553495 COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
BDBM50552452 NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
BDBM525821 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CC(C)OC(C)C2)ncc1F
BDBM525822 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCN(CC4CC4)CC3)cn2)ncc1F
BDBM525823 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nn2)C2CCN(C)CC2)ncc1F
BDBM525824 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CN)CC2)ncc1F
BDBM525825 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
BDBM525826 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C(N)=O)ncc1F
BDBM525810 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNC(=O)c3c2)ncc1F
BDBM525809 CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)nc1
BDBM525813 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnc(cn2)C2CCNCC2)ncc1F
BDBM525811 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(C)n2)ncc1F
BDBM525812 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cn(cn2)C2CCNCC2)ncc1F
BDBM525814 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CO)ncc1F
BDBM525815 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
BDBM525816 Fc1cc(cc2N(CCOc12)C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM525817 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CO)ncc1F
BDBM525818 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C(=O)N2CC(C)OC(C)C2)ncc1F
BDBM525819 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F
BDBM525820 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NCCN(C)C)ncc1F
BDBM525827 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCN(C)CC2)ncc1F
BDBM525835 COc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)ccc1C1CCN(C)CC1
BDBM525836 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(n2)C#N)ncc1F
BDBM525837 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)n2)ncc1F
BDBM525808 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ncc(cn2)C2CCNCC2)ncc1F
BDBM525828 COCCNS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)cc1
BDBM525829 COCCN1CCN(Cc2cnc(c(F)c2)-c2cc(F)c3OCCN(C(C)C)c3c2)CC1
BDBM525830 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F
BDBM525831 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(N)=O)c(F)c2)ncc1F
BDBM525832 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCNCC2)ncc1F
BDBM525833 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCN(C)CC3)c(F)c2)ncc1F
BDBM525834 COC1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)nc1
BDBM525714 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C5CCC(N)CC5)c4c3)nc2)CC1 |(-8.67,-6.93,;-7.34,-6.16,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-.67,2.31,;-.67,.77,;.67,,;2,.77,;3.33,,;2,2.31,;.67,3.08,;3.33,3.08,;3.33,4.62,;4.67,5.39,;4.67,6.93,;6,4.62,;7.34,5.39,;8.67,4.62,;8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;6,-1.54,;7.34,-2.31,;7.34,-3.85,;8.67,-1.54,;8.67,,;6,3.08,;4.67,2.31,;-4.67,3.08,;-6,2.31,;-6,-2.31,;-6,-3.85,)|
BDBM525715 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNC(C)C2)ncc1F
BDBM525716 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2F)N2CCNCC2)ncc1F
BDBM525717 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525718 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3c2)ncc1F
BDBM525719 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(C)CC3)c(F)c2)ncc1F
BDBM525720 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc3CNCCc23)ncc1F
BDBM525721 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNCc3c2)ncc1F
BDBM525722 CC(C)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)cc1F
BDBM525723 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCNCC3)c(F)c2)ncc1F
BDBM525724 CC(C)N1CCc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)cc2C1
BDBM525725 CC(C)N1CCc2c(C1)cccc2Nc1ncc(F)c(n1)-c1cc(F)c2OCCN(C(C)C)c2c1
BDBM525726 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(c2)C#N)ncc1F
BDBM525727 CC(C)N1CCc2cc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)ccc2C1
BDBM525728 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCNCC2)ncc1F
BDBM525729 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
BDBM525730 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
BDBM525731 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCOCC3)c(F)c2)ncc1F
BDBM525732 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N3CCCC3)c(F)c2)ncc1F
BDBM525733 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2F)ncc1F
BDBM525734 COc1cc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)ccc1N1CCNCC1
BDBM525735 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1Cl
BDBM525736 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(F)c(cc2F)N2CCNCC2)ncc1F
BDBM525737 CC(C)N1CC(C)Oc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525738 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
BDBM525739 CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525740 CCN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525741 CCCN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525742 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CC(Cc3c2)N(C)C)ncc1F
BDBM525743 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
BDBM525744 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3=CCNCC3)c(=O)c2)ncc1F |t:24|
BDBM525745 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CC(CCc3c2)N(C)C)ncc1F
BDBM525746 CC(C)N1CCOc2c(Cl)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1Cl
BDBM525747 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(c2)C(F)(F)F)ncc1F
BDBM525748 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCC(Cc3c2)N(C)C)ncc1F
BDBM525749 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
BDBM525750 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F
BDBM525751 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCNCC3)c(c2)C(F)(F)F)ncc1F
BDBM525752 CC(C)N1CCOc2c(Cl)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
BDBM525753 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)ncc1F
BDBM525754 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CN(C)C)ncc1F
BDBM525755 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
BDBM525756 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(F)c(cn2)C2CCNCC2)ncc1F
BDBM525757 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc3CN(C)CCn3n2)ncc1F
BDBM525758 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(O)CC3)c(F)c2)ncc1F
BDBM525759 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
BDBM525760 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
BDBM525761 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCNCC2)ncc1F
BDBM525762 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F
BDBM525763 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F
BDBM525764 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F
BDBM525765 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCC(O)CC2)ncc1F |(10.16,-3.47,;8.83,-2.69,;7.49,-3.47,;8.83,-1.15,;10.16,-.38,;10.16,1.15,;8.83,1.93,;7.49,1.15,;6.16,1.93,;6.16,3.47,;4.83,1.15,;4.83,-.38,;6.16,-1.15,;7.49,-.38,;3.49,-1.15,;2.16,-.38,;.83,-1.15,;-.51,-.38,;-1.84,-1.15,;-1.84,-2.69,;-3.31,-3.17,;-4.21,-1.93,;-3.31,-.68,;-5.7,-1.53,;-6.1,-.04,;-7.59,.36,;-8.67,-.73,;-10.16,-.33,;-8.28,-2.22,;-6.79,-2.62,;.83,-2.69,;2.16,-3.47,;3.49,-2.69,;4.83,-3.47,)|
BDBM525766 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)N(C)C)ncc1F
BDBM525767 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)N(C)C)ncc1F
BDBM525768 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)CN(C)C)ncc1F
BDBM525769 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F
BDBM525770 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)ncc1F
BDBM525771 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ncc1F
BDBM525772 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C(=O)N2CCC(O)CC2)ncc1F
BDBM525773 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)cc2F)CC1
BDBM525774 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCC(CC3)N(C)C)c(F)c2)ncc1F
BDBM525775 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCC(CC3)N(C)C)c(F)c2)ncc1F
BDBM525776 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)cc1F
BDBM525777 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCS(=O)(=O)CC3)c(F)c2)ncc1F
BDBM525778 CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C)c3c2)cc1F
BDBM525779 CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C)c3c2)cc1F
BDBM525780 CCCN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
BDBM525781 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCSCC3)c(F)c2)ncc1F
BDBM525782 CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCCC4)c3c2)cc1F
BDBM525783 CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCCC4)c3c2)cc1F
BDBM525784 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2=O)ncc1F
BDBM525785 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN4CCCC4C3)c(F)c2)ncc1F
BDBM525786 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)ncc1F
BDBM525787 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
BDBM525788 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
BDBM525789 Fc1cnc(Nc2ccc(cn2)N2CCCNCC2)nc1-c1cc(F)c2OCCN(C3CCCC3)c2c1
BDBM525790 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
BDBM525791 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
BDBM525792 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM525793 Fc1cc(cc2N(CCOc12)C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM525794 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM525795 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(C)(O)CC2)ncc1F
BDBM525796 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CO)CC2)ncc1F
BDBM525797 OC1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCC4)c3c2)nc1
BDBM525798 Fc1cnc(Nc2ccc(cn2)N2CCOCC2)nc1-c1cc(F)c2OCCN(C3CCC3)c2c1
BDBM525799 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
BDBM525800 CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
BDBM525801 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F
BDBM525802 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CCO)CC2)ncc1F
BDBM525803 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(no2)C2CCN(C)CC2)ncc1F
BDBM525804 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cn(cn2)C2CCN(C)CC2)ncc1F
BDBM525805 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1F
BDBM525806 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)C2)ncc1F
BDBM525807 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(n[nH]2)C2CCN(C)CC2)ncc1F
BDBM525562 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM525708 CC(C)N1C(=O)COc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM525709 Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2OCCNc2c1
BDBM525710 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1
BDBM525838 CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(n2)C2CC2)ncc1F
BDBM525839 CCCc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)ccc1C1CCN(C)CC1
BDBM50578001 Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
BDBM50578008 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
BDBM50578010 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
BDBM50578014 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
BDBM50578019 Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
BDBM556326 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)cn2)ncc1F
BDBM556327 CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|
BDBM556328 CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556329 CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556330 CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556331 CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556334 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F
BDBM556335 CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556336 CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556337 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F
BDBM556338 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1
BDBM50578021 Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM50578022 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM50583150 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nccnc3c2)nc1
BDBM50583151 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nccnc3c2)nc1
BDBM50583152 Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2nccnc2c1
BDBM50583153 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nccnc4c3)nc2)CC1
BDBM50583154 CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nccnc4c3)nc2)CC1
BDBM50583155 CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nccnc4c3)nc2)CC1
BDBM50583156 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nccnc3c2)nc1
BDBM50583167 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM50583168 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncc(nc3c2)N(C)C)nc1
BDBM50583172 CN(C)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM50583173 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2ccc3ncc(nc3c2)N(C)C)nc1
BDBM50583181 COc1cnc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)nc1-c1ccc2ncc(nc2c1)N(C)C
BDBM50583182 COc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2ncc(nc2c1)N(C)C
BDBM50583183 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)ncc1F
BDBM50583184 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC)CC2)ncc1F
BDBM50583185 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50583158 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(C)c(C)nc3c2)nc1
BDBM50583159 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(C)c(C)nc3c2)nc1
BDBM50583160 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50583161 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM50583162 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(C)c(C)nc4c3)nc2)CC1
BDBM50583189 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM50583190 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
BDBM50583194 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncc(nc3c2)N2CCOCC2)nc1
BDBM50583195 Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2ncc(nc2c1)N1CCOCC1
BDBM50583163 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(C)c(C)nc4c3)nc2)CC1
BDBM50584948 CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
BDBM50583165 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
BDBM50583164 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)ncc1F
BDBM50583169 CN(C)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50583170 CN(C)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM50583186 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM50583187 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(CN3CCN(CC3)C(C)C)cn2)ncc1F
BDBM50583191 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncc(nc3c2)N2CCOCC2)nc1
BDBM50583166 Cc1nc2ccc(cc2nc1C)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50583171 CN(C)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50583149 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nccnc3c2)nc1
BDBM50583174 CN(C)c1cnc2ccc(cc2n1)-c1ccnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)n1
BDBM50583175 CN(C)c1cnc2ccc(cc2n1)-c1ccnc(Nc2ccc(cn2)C(=O)N2CCNCC2)n1
BDBM50583177 CN(C)c1cnc2ccc(cc2n1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
BDBM50583176 CN(C)c1cnc2ccc(cc2n1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)n1
BDBM50583193 Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncc(nc2c1)N1CCOCC1
BDBM50583192 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncc(nc3c2)N2CCOCC2)nc1
BDBM50583178 COc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)nc1-c1ccc2ncc(nc2c1)N(C)C
BDBM50583179 COc1cnc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)nc1-c1ccc2ncc(nc2c1)N(C)C
BDBM50583180 COc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncc(nc2c1)N(C)C
BDBM50584949 Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
BDBM50583157 Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2nccnc2c1
BDBM50583188 CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM50589846 Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)cn1
BDBM50591706 C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
BDBM50593922 CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
BDBM50600028 CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)-c3csc4c3oc(cc4=O)N3CCOCC3)nc2n1C1CCCC1
BDBM50601439 C[C@H]1CC[C@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wD:4.7,1.0,(3.42,-3.29,;3.42,-1.75,;4.76,-.98,;4.76,.56,;3.42,1.33,;2.09,.56,;2.09,-.98,;3.42,2.87,;4.55,3.9,;6.09,3.73,;7,4.98,;6.38,6.39,;4.85,6.56,;3.93,5.32,;2.43,5.17,;1.28,6.24,;-.22,5.76,;-.56,4.24,;-2.05,3.84,;-2.45,2.35,;-1.36,1.26,;-1.76,-.22,;-3.25,-.62,;-3.64,-2.1,;-5.12,-2.5,;-6.2,-1.42,;-5.81,.06,;-4.33,.46,;-3.94,1.95,;-5.52,-3.99,;-7,-4.38,;-4.43,-5.07,;-4.83,-6.56,;.59,3.17,;2.09,3.64,)|
BDBM620995 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
BDBM620998 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
BDBM621000 COOSN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(sc4c3)N(C)C)nc2)CC1
BDBM621001 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
BDBM621002 CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
BDBM621003 CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(sc4c3)N(C)C)nc2)CC1
BDBM621004 CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
BDBM621005 Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
BDBM621006 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(sc3c2)N(C)C)nc1
BDBM621007 Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2ncsc2c1
BDBM621008 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
BDBM621009 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM621010 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
BDBM621011 Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
BDBM621012 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM621013 Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2ncsc2c1
BDBM621014 CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
BDBM621015 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC)CC2)ncc1F
BDBM621016 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
BDBM621017 COOSN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
BDBM621018 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
BDBM621019 Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2ncsc2c1
BDBM621020 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
BDBM621021 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)ncc1F
BDBM621022 COOSN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
BDBM621023 Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
BDBM621024 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
BDBM621025 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3ncsc3c2)nc1
BDBM621026 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(NC5CCCC5)sc4c3)nc2)CC1
BDBM621027 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM621028 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4ncsc4c3)nc2)CC1
BDBM621029 CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
BDBM621030 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM621031 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(C)sc3c2)nc1
BDBM621032 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(sc4c3)N(C)C)nc2)CC1
BDBM621033 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)SOOC)cn2)ncc1F
BDBM621034 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(C)sc4c3)nc2)CC1
BDBM621035 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(sc3c2)N(C)C)nc1
BDBM621036 CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(sc4c3)N(CC)CC)nc2)CC1
BDBM621037 Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)ncc1F
BDBM621038 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cn2)ncc1F
BDBM621039 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCN(CC3)C(C)C)cn2)ncc1F
BDBM621040 Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
BDBM621041 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
BDBM621042 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)ncc1F
BDBM621043 Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM621044 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM621045 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1F
BDBM621046 Cc1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM621047 CN(C)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)C(=O)N2CCNCC2)ncc1F
BDBM621048 CCN(CC)c1nc2ccc(cc2s1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
BDBM621049 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc3nc(NC4CCCC4)sc3c2)nc1
BDBM621050 CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc(sc4c3)N(C)C)nc2)CC1
BDBM50404389 CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|
BDBM50453718 CNc1nc(C)c(s1)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
BDBM50609501 O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
BDBM50614148 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(C\C=C\C(F)(F)F)CC3)nc2n(C2CCCC2)c1=O
BDBM50614149 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C=C)nc2n(C2CCCC2)c1=O
BDBM50614150 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C(=C\c3ccccc3)\C#N)nc2n(C2CCCC2)c1=O