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1214 SMILES Strings for Activin receptor type-1

Compound NameSMILES String
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM3096 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
BDBM4067 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1
BDBM4077 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
BDBM603795 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(cc12)C#N
BDBM603796 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(cc12)C(F)(F)F
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5410 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6572 Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)|
BDBM6511 COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM603862 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)cc2ccc(F)cc12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM603798 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C#N
BDBM603797 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C(F)(F)F
BDBM603748 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)cc12
BDBM603865 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)c(F)ccc12
BDBM603861 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cc(F)cc12
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36354 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM36355 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM36356 CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM603860 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(F)ccc12
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM603785 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603863 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccncc1
BDBM102618 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM102619 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM603738 COc1cc2c(ccnc2cc1F)-c1cnn2cc(ccc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603851 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)OCCN(C)C
BDBM603757 Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)N2CCOCC2)c2ccccc2n1
BDBM603696 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603846 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)OCCN(C)C
BDBM603859 COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)N1CC(C1)N1CCN(C)CC1
BDBM604604 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C2CCCN2CO)C2CCCN2CO)c1
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50261979 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM50262685 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
BDBM50262016 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM50262079 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM50311017 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM603697 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc2n1
BDBM280369 CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1cc(Cl)ccc1F
BDBM280363 CC(C)c1cnc(cc1Nc1ccnc2[nH]ccc12)-c1ncccc1F
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM608818 CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F
BDBM608828 CC[C@@H](C)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM50434748 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
BDBM50434749 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
BDBM50434751 C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
BDBM50015639 Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
BDBM160333 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
BDBM50056507 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
BDBM50056686 COc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056684 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(O)cc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50097393 Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50056513 CC(C)Oc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056674 COc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056677 Nc1ncc(cc1-c1ccnc2ccccc12)-c1ccc(cc1)N1CCNCC1
BDBM50056678 Nc1ncc(cc1-c1ccnc2ccccc12)-c1cccc(c1)N1CCNCC1
BDBM50056679 Nc1ncc(cc1-c1cccc2ncccc12)-c1ccc(cc1)N1CCNCC1
BDBM50056681 COc1cc(cc(OC)c1OC)-c1cc(cnc1Cl)-c1ccc(cc1)N1CCNCC1
BDBM50056687 CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
BDBM50056688 COc1cc(cc(OC)c1OC)-c1cc(cnc1N(C)C)-c1ccc(cc1)N1CCNCC1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50056506 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
BDBM50056508 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056509 COc1ccc(cc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056510 COc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056511 COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056512 Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
BDBM50056549 COc1cc(ccc1Cl)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50056675 COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
BDBM50056676 COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
BDBM50056680 COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM50056682 COc1cc(cc(OC)c1OC)-c1cc(cnc1OC)-c1ccc(cc1)N1CCNCC1
BDBM50056683 COc1cc(OC)cc(c1)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
BDBM50056685 COc1cc(ccc1O)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
BDBM50183448 COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
BDBM50183449 COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM108945 C1CC(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM111123 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
BDBM118134 C1CN(CCN1)c1ccc(nc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM118138 C(C#Cc1cnc2c(cnn2c1)-c1ccnc2ccccc12)N1CCNCC1
BDBM120269 C1CN(CCN1)c1ncc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM127883 C1N[C@H]2C[C@@H]1N(C2)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
BDBM143207 C1CN(CCN1)c1cnc(s1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM143246 Clc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
BDBM143249 Oc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
BDBM143282 Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
BDBM143311 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12 |r|
BDBM143313 Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
BDBM143566 Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc2n1
BDBM143618 OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM143721 NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM143722 OCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148328 CNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM148329 CN(C)Cc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148330 NCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148347 C(N1CCCC1)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148348 OC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148349 NC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148353 OCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148354 NCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148355 CC(=O)Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148356 Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM161915 C(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM111122 C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM148357 Oc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
BDBM148362 C(CN1CCCCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM148363 C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM148370 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM148371 CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM148372 C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
BDBM148375 C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
BDBM148379 Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM148387 Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM148388 N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM160009 N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM160069 Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM160477 Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM160478 C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM161910 C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161911 CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2ccnc3ccccc23)CC1
BDBM161912 CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1
BDBM161913 Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM161914 Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161916 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cn1
BDBM161920 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
BDBM161918 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCNCC2)cn1
BDBM161919 CN1CCN(CCOc2ccc(nc2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1
BDBM161922 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12 |r|
BDBM161923 C(CN1CCOCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161924 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cn1
BDBM161925 CC(C)(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161926 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC(C)(C)CN2CCCCC2)cn1
BDBM161927 CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161928 CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12
BDBM161929 C1CC(CCN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM161930 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC2CCNCC2)cn1
BDBM161931 C1C[C@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
BDBM161932 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(O[C@@H]2CCNC2)cn1 |r|
BDBM161933 C1C[C@@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
BDBM161934 Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(O[C@H]2CCNC2)cn1 |r|
BDBM161935 COc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1[C@@H](C)CNC[C@H]1C |r|
BDBM161936 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2[nH]c(=O)ccc12 |r|
BDBM280335 CC(O)CNC(=O)c1cnccc1Nc1nc(ccc1C(C)C)-c1cc(Cl)ccc1F
BDBM280336 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
BDBM280337 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
BDBM280338 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280339 C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280340 CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
BDBM280341 CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280342 C[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280343 CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC(C)(C)CO)-c1cc(Cl)ccc1F
BDBM280344 CCc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
BDBM280345 C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
BDBM280346 COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
BDBM280347 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(C)=O)-c1cc(Cl)ccc1F
BDBM280348 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
BDBM280349 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1N(C)C)-c1cc(Cl)ccc1F |r|
BDBM280350 COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
BDBM280351 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNS(C)(=O)=O)-c1cc(Cl)ccc1F
BDBM280352 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
BDBM280353 C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280354 C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
BDBM280355 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NC(CO)CO)-c1cc(Cl)ccc1F
BDBM280356 COC(=O)c1cnccc1Nc1cc(nc(NC(=O)OC(C)(C)C)c1C(C)=C)-c1cc(Cl)ccc1F
BDBM280357 CC[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280358 CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280359 CC(C)[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
BDBM280360 CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
BDBM280361 CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
BDBM280362 CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1
BDBM280364 CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1ncccc1F
BDBM280365 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F |r|
BDBM280366 Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
BDBM280367 OCC(CO)NC(=O)c1cnccc1Nc1cc(ncc1N1CCCC1)-c1cc(Cl)ccc1F
BDBM280368 CC(=C)c1cnc(cc1Nc1ccncc1C(=O)N1CCCC1)-c1cc(Cl)ccc1F
BDBM50235816 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
BDBM50235820 FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
BDBM50232968 COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50235830 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
BDBM50235833 Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
BDBM50235817 FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
BDBM404390 C(CN1CCNCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
BDBM50463507 Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
BDBM50463508 O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccccc1
BDBM50463509 O=c1[nH]cnc2ccc(cc12)-c1ccnc2ccccc12
BDBM50463510 O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1
BDBM50463511 CCc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
BDBM50463512 Cc1nc2ccc(cc2c(=O)[nH]1)-c1cccc2ncccc12
BDBM50463513 Cc1c(ccc2nc[nH]c(=O)c12)-c1ccnc2ccccc12
BDBM50463514 CCc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1
BDBM50463515 Cc1cc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
BDBM50463516 Cc1c(ccc2nc(Cc3ccccc3)[nH]c(=O)c12)-c1ccnc2ccccc12
BDBM50463517 CN(C)c1ccc(cc1)-n1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12
BDBM50463518 O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)C1CCCCC1
BDBM50463519 Cc1nc2ccc(cc2c(=O)[nH]1)-c1ccnc2ccccc12
BDBM50463520 Cc1c(ccc2nc[nH]c(=O)c12)-c1cccc2ncccc12
BDBM50463521 O=c1[nH]cnc2ccc(cc12)-c1cnn2ccccc12
BDBM50463522 O=c1[nH]cnc2ccc(cc12)-c1cccc2ncccc12
BDBM50463523 O=c1[nH]cnc2ccc(cc12)-c1c[nH]nc1C1CC1
BDBM50463524 Cc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1
BDBM50463525 Cn1cc(cn1)-c1ccc2nc[nH]c(=O)c2c1
BDBM50463526 O=c1[nH]cnc2ccc(cc12)-c1cn[nH]c1
BDBM50463527 Cn1cnc2ccc(cc2c1=O)-c1cccc2ncccc12
BDBM50463528 Cc1n[nH]c(C)c1-c1ccc2nc[nH]c(=O)c2c1
BDBM50463529 Cn1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12
BDBM50463530 O=c1n(CCCN2CCOCC2)cnc2ccc(cc12)-c1ccnc2ccccc12
BDBM50466181 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(C)c1)S(N)(=O)=O |r|
BDBM50466182 CC(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM50466183 CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM50466184 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(N)c1)S(N)(=O)=O |r|
BDBM50466185 CN(C)CCOc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM50466186 CC(C)(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM50466187 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCC3)cc2)c2ccccc12
BDBM50466180 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)nc2)c2ccccc12
BDBM50466188 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(C)(=O)=O |r|
BDBM50466189 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(N)(=O)=O |r|
BDBM50466190 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|
BDBM50466191 CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
BDBM50466192 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc12
BDBM50466193 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc12
BDBM50466194 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)cc2)c2ccccc12
BDBM50466199 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(=O)(=O)N(C)C |r|
BDBM50466195 NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM50466196 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc(c1)S(N)(=O)=O |r|
BDBM50466197 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(NS(C)(=O)=O)c2ccccc12 |r|
BDBM50466198 NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(CN3CCCC3)cc2)c2ccccc12
BDBM50466201 C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2c(cccc12)S(N)(=O)=O |r|
BDBM50466200 CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
BDBM423157 CC=Cc1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |w:1.0|
BDBM423158 CC(CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
BDBM423172 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc(N)c1C(C)=C)-c1cc(Cl)ccc1F
BDBM423178 C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1
BDBM451816 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.77,-2.71,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|
BDBM50528188 COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528189 CNC(=O)c1ccc(cc1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528190 COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
BDBM50528191 Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1
BDBM50528192 COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
BDBM50528193 COCc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528194 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50524284 COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
BDBM50528195 COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
BDBM50528196 COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
BDBM50528197 COc1ccc(cc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528198 COc1cc(sc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528199 COc1c(csc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528200 COc1c(csc1-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1)C(N)=O
BDBM50528201 Cc1c(cncc1-c1ccc(cc1)C(N)=O)-c1ccc(cc1)N1CCNCC1
BDBM50528202 Cc1c(cncc1-c1ccc(C(N)=O)c(F)c1)-c1ccc(cc1)N1CCNCC1
BDBM50528203 COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528204 COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528205 COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(C)C)c1C
BDBM50528206 COc1cc(cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1)C(N)=O
BDBM50528207 COc1cc(ccc1C(=O)N(C)C)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C
BDBM50528208 COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50528209 COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2C[C@H](C)N(C)[C@H](C)C2)c1C |r|
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50544411 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCS(=O)(=O)CC1
BDBM50544412 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1
BDBM50544405 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r|
BDBM50544406 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CCF)CC1
BDBM50544407 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O
BDBM50544408 COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C
BDBM50544409 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
BDBM50544410 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCOCC1
BDBM50544413 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1
BDBM50544414 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28|
BDBM50544415 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCN(C)CC1 |t:28|
BDBM50544416 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCCNCC1
BDBM50544417 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(CN2CCN(C)CC2)cc1
BDBM50544418 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1
BDBM50544419 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1
BDBM50544392 CCc1c(cncc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
BDBM50544393 COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C1CC1
BDBM50544394 COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1OC
BDBM50544395 COc1cc(cc(OC)c1OC)-c1cncc(c1N)-c1ccc(cc1)N1CCNCC1
BDBM50544396 COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1
BDBM50544397 COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1
BDBM50544398 COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C(F)(F)F
BDBM50544399 COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
BDBM50544400 COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50544401 COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
BDBM50544402 COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
BDBM50544403 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
BDBM50544404 COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM488116 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2cccc(OC3CCNCC3)c2)n1
BDBM488117 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCc3c2)C(=O)CO)n1
BDBM488118 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCN(CCO)Cc3c2)n1
BDBM488029 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(CC2)c2ccc(F)cc2)n1
BDBM488031 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1
BDBM488032 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)n1
BDBM488033 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCOC)CC2)n1
BDBM488036 CCn1cc(cn1)-c1ccc(Nc2nccc(n2)-c2cn(CC)nc2-c2cccnc2)cc1
BDBM488039 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC3CC3)CC2)n1
BDBM488041 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(CCOC)nc2-c2cccnc2)cc1
BDBM488042 COCCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)-n2cncn2)n1
BDBM488047 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
BDBM488049 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCCCC2)n1
BDBM488056 COCCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488072 C1OCC1N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(nc2-c2cccnc2)C2COC2)cc1
BDBM488074 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC(C)(C)O)CC2)n1
BDBM488079 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CC3CCC(C2)N3C)n1
BDBM488080 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(C)CCc3c2)n1
BDBM488083 C1OCC1n1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488085 C(Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)c1ccccc1
BDBM488088 CCn1cc(c(n1)-c1cncc(F)c1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488089 FC(F)Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488090 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488092 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1
BDBM488093 N#Cc1cccc(Cn2cc(c(n2)-c2cccnc2)-c2ccnc(Nc3ccc(cc3)N3CCNCC3)n2)c1
BDBM488095 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C2CC3CCC(C2)N3)n1
BDBM488097 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)-c2cnn(c2)C2CCNCC2)n1
BDBM488098 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CNCCc3c2)n1
BDBM488099 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCNCc3c2)n1
BDBM488100 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCNCCc3c2)n1
BDBM488103 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C)(N)CC2)n1
BDBM488104 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(N)(CC)CC2)n1
BDBM488105 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)n1
BDBM488106 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
BDBM488107 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCc3c2)C(C)=O)n1
BDBM488108 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)N(C)C2CCN(CC2)C(C)C)n1
BDBM488109 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCOC)CCc3c2)n1
BDBM488110 CC(C)(C)n1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM488111 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CC3CCC(C2)N3)n1
BDBM488112 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CC3CCC(C2)N3)n1
BDBM488113 FC(F)Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1
BDBM488114 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(N3CCNCC3)c(F)c2)n1
BDBM488115 CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C2CCNCC2)n1
BDBM514529 CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCN)-c1cc(Cl)ccc1F
BDBM518135 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CCC[C@H]1C |r|
BDBM518156 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)COC[C@H]1C |r|
BDBM518169 CC(C)C(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
BDBM518170 COCC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
BDBM518172 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N(C)C |r|
BDBM518173 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N1CCCC1 |r|
BDBM518180 CCOC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
BDBM518186 COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
BDBM518192 COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
BDBM518193 COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c2n1 |r|
BDBM518194 COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
BDBM50557479 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccncc2)cc1
BDBM50557480 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCn3nc2-c2cccnc2)cc1
BDBM50557481 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCCn3nc2-c2cccnc2)cc1
BDBM50557471 COc1ccc(Nc2nccc(n2)-c2c[nH]nc2-c2cccnc2)cc1
BDBM50557472 COc1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
BDBM50557473 C1CN(CCO1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
BDBM50557474 C1CN(CCN1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
BDBM50557475 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
BDBM50557476 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
BDBM50557477 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccc2)cc1
BDBM50557478 COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccn2)cc1
BDBM50560455 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccccc12
BDBM50560456 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2cncnc12
BDBM50560457 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12
BDBM50560458 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cccc2ncsc12
BDBM50560459 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)cn2ncnc12
BDBM50560460 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccsc12
BDBM50560461 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccc(F)cc12
BDBM50560462 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(cc12)C(F)(F)F
BDBM50560463 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2cc(F)ccc12
BDBM50560464 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
BDBM50560465 CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2c(F)cc(F)cc12
BDBM50560466 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
BDBM50560467 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
BDBM50560468 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1
BDBM50560469 CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
BDBM50560470 C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12 |r|
BDBM50560471 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12 |r|
BDBM50560472 CC(C)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12
BDBM50560473 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(nc2)N2CCN(CC2)C2CC2)c2ccccc2n1
BDBM50560474 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(nc2)N2CC3(C2)CC(F)(F)C3)c2ccccc2n1
BDBM50560475 Cc1cc(-c2cnc3cc(ccn23)-c2cnc(N3CCC4(CCCN4)C3)c(C)c2)c2ccccc2n1
BDBM50560476 CN1CCC(CC1)Oc1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
BDBM50560477 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
BDBM50560478 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)ccc2n1
BDBM50560479 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1
BDBM50560480 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2ccccc2n1
BDBM50560481 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)ccc2n1
BDBM50560482 Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)cc(F)c2n1
BDBM50564971 COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
BDBM50564972 CCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
BDBM50564973 CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
BDBM50564974 COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
BDBM50564975 COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564976 CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564977 COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564978 COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564979 CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564981 CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564982 CCCS(=O)(=O)Nc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564983 CCCS(=O)(=O)Nc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564984 CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564986 CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564987 CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564988 CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564989 COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564990 CCCS(=O)(=O)NCc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50564997 CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
BDBM50564998 CCCS(=O)(=O)Nc1cc(cc(OC)c1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
BDBM50568931 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1 |(30.47,-43.28,;31.8,-42.51,;33.14,-43.28,;33.14,-44.82,;31.81,-45.59,;34.47,-42.51,;35.81,-43.28,;37.14,-42.51,;38.47,-43.28,;38.47,-44.83,;39.81,-45.6,;41.14,-44.83,;42.48,-45.59,;43.81,-44.82,;43.8,-43.29,;45.12,-42.51,;46.47,-43.28,;47.8,-42.51,;49.14,-43.29,;50.47,-42.52,;51.8,-43.3,;51.79,-44.84,;53.14,-42.54,;53.15,-41,;51.81,-40.22,;50.48,-40.99,;49.14,-40.22,;49.13,-44.83,;50.46,-45.61,;47.79,-45.6,;47.78,-47.14,;46.44,-47.9,;46.44,-49.44,;45.1,-50.2,;46.46,-44.82,;45.14,-45.59,;41.14,-43.28,;39.8,-42.51,)|
BDBM50568932 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 |(58.86,-44.1,;60.19,-43.33,;61.53,-44.1,;61.53,-45.64,;60.19,-46.41,;62.86,-43.33,;64.19,-44.1,;65.53,-43.33,;66.86,-44.1,;66.86,-45.64,;68.19,-46.41,;69.53,-45.64,;70.87,-46.41,;72.2,-45.64,;72.19,-44.1,;73.51,-43.33,;74.86,-44.1,;76.19,-43.32,;77.53,-44.1,;78.86,-43.34,;78.86,-41.81,;77.53,-41.04,;80.2,-41.04,;81.54,-41.82,;81.53,-43.36,;80.19,-44.12,;80.18,-45.66,;77.52,-45.65,;78.85,-46.43,;76.18,-46.41,;76.17,-47.95,;74.83,-48.72,;73.51,-47.93,;72.17,-48.69,;72.17,-50.24,;73.51,-51.01,;74.84,-50.25,;74.85,-45.64,;73.53,-46.41,;69.53,-44.09,;68.19,-43.33,)|
BDBM50568933 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 |(1.53,-6.82,;2.86,-6.05,;4.2,-6.82,;4.2,-8.36,;2.86,-9.13,;5.53,-6.05,;6.87,-6.82,;8.2,-6.05,;9.53,-6.82,;9.53,-8.37,;10.86,-9.14,;12.2,-8.36,;13.54,-9.13,;14.87,-8.36,;14.86,-6.82,;16.18,-6.05,;17.53,-6.82,;18.86,-6.04,;20.2,-6.83,;21.53,-6.06,;21.54,-4.53,;20.2,-3.76,;22.87,-3.76,;24.21,-4.54,;24.2,-6.08,;22.86,-6.84,;22.85,-8.38,;20.19,-8.37,;21.52,-9.15,;18.85,-9.13,;18.84,-10.67,;17.5,-11.44,;16.17,-10.66,;17.5,-12.98,;17.52,-8.36,;16.2,-9.13,;12.2,-6.81,;10.86,-6.05,)|
BDBM50568934 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1 |(26.34,-6.01,;27.68,-5.24,;29.01,-6.01,;29.01,-7.55,;27.68,-8.32,;30.34,-5.24,;31.68,-6,;33.01,-5.23,;34.34,-6,;34.34,-7.55,;35.68,-8.32,;37.01,-7.55,;38.35,-8.32,;39.68,-7.54,;39.67,-6.01,;40.99,-5.23,;42.34,-6,;43.67,-5.23,;45.01,-6.01,;46.35,-5.25,;46.35,-3.71,;45.01,-2.94,;47.68,-2.94,;49.02,-3.72,;49.01,-5.26,;47.67,-6.02,;47.66,-7.56,;45,-7.55,;46.33,-8.33,;43.66,-8.32,;43.65,-9.86,;42.32,-10.62,;40.99,-9.84,;39.66,-10.6,;39.65,-12.14,;40.99,-12.92,;42.32,-12.15,;40.98,-14.45,;39.65,-15.22,;42.47,-14.05,;42.07,-15.54,;42.33,-7.54,;41.01,-8.31,;37.01,-6,;35.67,-5.23,)|
BDBM50568927 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1
BDBM50568928 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
BDBM50568929 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1
BDBM50568930 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1
BDBM50568935 Cn1c2nc(Nc3ccc(cc3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(13.36,-27.74,;13.37,-26.2,;12.04,-25.43,;10.72,-26.2,;9.39,-25.43,;8.06,-26.2,;6.72,-25.43,;5.39,-26.2,;4.05,-25.43,;4.06,-23.89,;5.38,-23.12,;6.72,-23.88,;2.72,-23.12,;1.39,-23.89,;1.94,-21.78,;3.49,-21.78,;9.38,-23.89,;10.7,-23.12,;12.05,-23.89,;13.38,-23.11,;14.72,-23.9,;16.05,-23.13,;16.05,-21.6,;14.72,-20.83,;17.38,-20.83,;18.72,-21.61,;18.71,-23.15,;17.38,-23.91,;17.37,-25.45,;14.71,-25.44,;16.04,-26.22,)|
BDBM50568936 Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(31.78,-28.56,;31.78,-27.03,;30.46,-26.25,;29.13,-27.02,;27.81,-26.25,;26.47,-27.02,;25.14,-26.26,;23.8,-27.03,;22.47,-26.26,;22.47,-24.71,;23.8,-23.94,;25.13,-24.71,;23.79,-22.4,;25.13,-21.63,;22.3,-21.99,;23.39,-20.9,;27.79,-24.72,;29.12,-23.94,;30.46,-24.71,;31.8,-23.94,;33.13,-24.72,;34.47,-23.96,;34.47,-22.42,;33.14,-21.65,;35.8,-21.65,;37.14,-22.43,;37.13,-23.97,;35.79,-24.73,;35.78,-26.27,;33.13,-26.26,;34.45,-27.04,)|
BDBM50568937 Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccccc2Cl)c1=O
BDBM50568938 Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(O)cc2)c1=O
BDBM50573930 CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
BDBM50585204 C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
BDBM50596201 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.78,2.71,;7.32,3.19,;6.84,4.65,;5.3,4.65,;4.83,3.19,;6.07,2.28,;6.07,.74,;4.74,-.03,;4.74,-1.57,;3.4,-2.34,;2.07,-1.57,;2.07,-.03,;3.4,.74,;3.4,2.28,;.74,-2.34,;.74,-3.88,;-.6,-4.65,;-1.93,-3.88,;-3.26,-4.65,;-1.93,-2.34,;-3.26,-1.57,;-4.6,-2.34,;-3.26,-.03,;-1.93,.74,;-.6,-.03,;-.6,-1.57,;-4.6,.74,;-5.93,-.03,;-7.27,.74,;-7.27,2.28,;-7.79,3.73,;-8.78,2.01,;-5.93,3.05,;-4.6,2.28,)|
BDBM50596202 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
BDBM50596203 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
BDBM50596204 C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.79,2.71,;7.33,3.19,;6.85,4.65,;5.31,4.65,;4.84,3.19,;6.08,2.28,;6.08,.74,;4.75,-.03,;3.42,.74,;2.08,-.03,;2.08,-1.57,;3.42,-2.34,;4.75,-1.57,;.75,-2.34,;.75,-3.88,;-.58,-4.65,;-1.92,-3.88,;-3.25,-4.65,;-1.92,-2.34,;-3.25,-1.57,;-4.59,-2.34,;-3.25,-.03,;-1.92,.74,;-.58,-.03,;-.58,-1.57,;-4.59,.74,;-5.92,-.03,;-7.25,.74,;-7.25,2.28,;-8.02,3.62,;-8.79,2.28,;-5.92,3.05,;-4.59,2.28,)|
BDBM50596205 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|
BDBM50596206 C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
BDBM50596207 C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
BDBM50596208 C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|
BDBM50596209 C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(Cc12)C1CCCCC1 |r|
BDBM50596210 Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596211 Cn1ccc(n1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596212 Cn1nccc1-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50593545 CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
BDBM50593548 CC(O)CNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
BDBM50593549 CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F
BDBM50593555 C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCOCC2)cc1)C(F)(F)F |r|
BDBM50593556 C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F |r|
BDBM50593546 CC(C)NC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
BDBM50593557 C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCNCC2)cc1)C(F)(F)F |r|
BDBM50593558 CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)NC[C@@](C)(O)C(F)(F)F)CC1 |r|
BDBM50593559 CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:24.25,wD:27.29,(8.66,.77,;7.33,1.54,;7.33,3.08,;6,.77,;6,-.77,;4.66,-1.54,;3.33,-.77,;2,-1.54,;.66,-.77,;-.66,-1.53,;-2,-.77,;-2,.77,;-.67,1.54,;.66,.77,;-3.33,1.54,;-3.33,3.08,;-4.66,3.85,;-6,3.08,;-7.33,3.85,;-6,1.54,;-4.66,.78,;-7.33,.77,;-8.66,1.54,;-7.33,-.77,;-6,-1.54,;-4.66,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-4.66,-3.85,;-6,-3.08,;3.33,.77,;4.66,1.54,)|
BDBM50593561 Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
BDBM50593562 Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1 |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,)|
BDBM50593563 Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.53,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,;-1.33,3.08,)|
BDBM50593560 CCN(CC)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:26.27,wD:29.31,(8,3.85,;6.66,3.08,;6.66,1.54,;8,.77,;9.33,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.66,-.77,;1.33,-1.54,;-0,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-0,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-8,3.85,;-6.66,1.54,;-5.33,.77,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;2.66,.77,;4,1.54,)|
BDBM50593564 C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:5.8,wD:1.1,(-2.45,-2.72,;-4,-2.72,;-3.23,-4.06,;-4,-1.18,;-5.33,-.41,;-6.66,-1.18,;-6.66,-2.72,;-5.33,-3.49,;-8,-.41,;-8,1.13,;-9.33,1.9,;-6.66,1.9,;-5.33,1.13,;-4,1.9,;-4,3.44,;-5.33,4.21,;-6.66,3.44,;-8,4.21,;-2.67,1.13,;-2.67,-.41,;-1.33,-1.18,;-0,-.41,;1.33,-1.18,;2.66,-.41,;4,-1.18,;5.33,-.41,;5.33,1.13,;4,1.9,;2.66,1.13,;6.66,1.9,;8,1.13,;9.33,1.9,;9.33,3.44,;8,4.21,;6.66,3.44,;-0,1.13,;-1.33,1.9,;-1.33,3.44,)|
BDBM50593565 Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
BDBM50593547 CCNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
BDBM50593550 CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
BDBM50593551 CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCC1O
BDBM50594429 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2ccc(nc12)N1CCCCC1 |r|
BDBM50594430 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(cc12)N1CCCCC1 |r|
BDBM50594431 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1CCCCC1C |r|
BDBM50594432 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1CCCCC1 |r|
BDBM50593552 CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCC(O)CC1 |(5.33,.77,;5.33,-.77,;6.66,-1.54,;4,-1.54,;2.66,-.77,;1.34,-1.53,;-0,-.77,;-0,.77,;1.33,1.54,;2.66,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-4,3.08,;-5.33,3.85,;-4,1.54,;-2.66,.78,;-5.33,.77,;-6.66,1.54,;-5.33,-.77,;-4,-1.54,;-2.66,-.77,;-1.33,-1.54,;-1.33,-3.08,;0,-3.85,;-2.66,-3.85,;-4,-3.08,)|
BDBM50593553 CCN(CC)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
BDBM50593554 C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCCC2)cc1)C(F)(F)F |r|
BDBM50596213 Cn1ccc(c1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596214 Cn1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596215 CC(C)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596216 Nc1ncc(-c2cnn(c2)C2CCCC2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50596217 Nc1ncc(-c2cnn(c2)C2COC2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50596218 Nc1ncc(-c2cnn(CC3CCCNC3)c2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50594433 C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CNC[C@H]1C |r|
BDBM50596219 Nc1ncc(-c2cnn(CC3CCNCC3)c2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50596220 Nc1ncc(-c2cnn(c2)C2CCCNC2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50596221 Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
BDBM50596222 CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596223 CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
BDBM50596224 CC1(O)CCC(CC1)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1 |(-6.56,3.49,;-5.79,2.16,;-7.33,2.16,;-5.79,.62,;-4.45,-.15,;-3.12,.62,;-3.12,2.16,;-4.45,2.93,;-1.79,-.15,;-.45,.62,;.88,-.15,;.88,-1.69,;2.21,-2.46,;2.21,-4,;.88,-4.77,;-.45,-4.01,;-1.79,-4.78,;-.45,-2.46,;-1.79,-1.69,;-3.12,-2.46,;3.54,-1.69,;5,-2.15,;5.92,-.9,;5.04,.32,;3.54,-.15,;5.44,1.8,;6.93,2.2,;7.33,3.69,;6.24,4.78,;4.75,4.38,;4.35,2.89,)|
BDBM50596225 Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3C4CC5CC(C4)CC3C5)C(=O)c12 |TLB:29:28:26:22.23.24,THB:24:23:20:27.25.26,24:25:20:22.29.23,19:20:26:22.23.24,29:23:20.28.27:26,(-1.87,-4.78,;-.53,-4.01,;.8,-4.77,;2.13,-4,;2.13,-2.46,;3.46,-1.69,;4.92,-2.15,;5.84,-.9,;4.96,.32,;3.46,-.15,;5.36,1.8,;6.85,2.2,;7.25,3.69,;6.16,4.78,;4.67,4.38,;4.27,2.89,;.8,-1.69,;.8,-.15,;-.53,.62,;-1.87,-.15,;-3.2,.62,;-4.87,1.23,;-4.93,2.67,;-5.81,3.84,;-7.25,3.25,;-7.24,1.71,;-6.26,.64,;-5.67,1.23,;-4.19,1.86,;-4.21,3.4,;-1.87,-1.69,;-3.2,-2.46,;-.53,-2.46,)|
BDBM50596226 CN1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1
BDBM50596227 CC(C)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1
BDBM50596228 Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCC3)C(=O)c12
BDBM604403 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2CO)c1 |r|
BDBM604437 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(cc2)C#N)c2cccn2n1
BDBM604438 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604439 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCC[C@H]4C(N)=O)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604440 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(c2)C#N)c2cccn2n1
BDBM604441 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CNCC4CC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604498 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc[nH]c23)N2CCC[C@H]2C(N)=O)c1
BDBM604499 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)nn2cccc12
BDBM604500 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccn(c3n2)S(=O)(=O)c2ccc(C)cc2)c1
BDBM604501 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccnc3n2)c1
BDBM604502 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncccc3n2)c1
BDBM604503 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3C(N)=O)c3cccn3n2)c1
BDBM603722 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
BDBM603723 CCN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(OC)cc12
BDBM603724 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)C(C)C1
BDBM603725 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCCN(C)CC1
BDBM603726 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC[N+](C)([O-])CC1
BDBM603727 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC[N+](C)(C)CC1
BDBM603820 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(F)ccc12
BDBM603821 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)ccc12
BDBM603822 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(ccc12)C(F)(F)F
BDBM603823 CNC(=O)c1cc(ccn1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603824 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cccc12
BDBM603825 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2c(F)cccc12
BDBM603826 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(OC(F)(F)F)ccc12
BDBM604371 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(O)cc2)c2cccn2n1
BDBM604372 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(Cl)cc2)c2cccn2n1
BDBM604373 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCCC2)c2cccn2n1
BDBM604374 COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(C)cn3)c3cccn3n2)c(F)c1
BDBM604375 COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(cn3)-c3ccccc3)c3cccn3n2)c(F)c1
BDBM604376 Cn1cnc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccccc2)c1
BDBM604636 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@H]2CO)c1
BDBM604637 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@@H]2CO)c1
BDBM604638 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604639 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604640 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604641 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3occc3n2)c1
BDBM604713 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnccc23)N2CCC[C@H]2CO)c1
BDBM604714 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604715 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc3c(n2)N2CCC[C@@H]2CO)C(=O)OC(C)(C)C)c1
BDBM604716 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC4(CC4)C[C@H]3CO)c3cccn3n2)c1
BDBM604717 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccncc3n2)c1
BDBM604718 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(Br)ccc23)N2CCC[C@@H]2CO)c1
BDBM604532 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCCC2)c1
BDBM604533 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3ccccc3n2)c1
BDBM604534 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
BDBM604535 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccc(OC(C)C)c3n2)c1
BDBM604536 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3CN(Cc4ccccc4)CCc3n2)c1
BDBM604537 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3CCN(Cc4ccccc4)Cc3n2)c1
BDBM604787 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4C[C@H](N)C4)c3n2)c1 |wU:34.36,32.33,wD:24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
BDBM604788 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4C[C@H](N)C4)c3n2)c1 |wU:32.33,wD:34.36,24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;6.99,3.68,;8.36,4.38,;8.83,5.85,;9.06,3.01,;5.75,.37,;4.41,1.14,;-1,1,)|
BDBM604789 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCOC4)c3n2)c1
BDBM604790 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4CC[C@H](O)CC4)c3n2)c1 |wU:35.37,32.33,wD:24.26,(-8.74,-2.58,;-7.21,-2.75,;-6.3,-1.5,;-4.77,-1.66,;-3.86,-.41,;-4.49,.99,;-6.02,1.15,;-6.65,2.56,;-8.18,2.72,;-6.93,-.09,;-8.46,.07,;-9.36,-1.18,;-2.33,-.58,;-1.56,-1.91,;-.06,-1.59,;.11,-.06,;1.44,.71,;2.77,-.06,;2.77,-1.6,;4.11,-2.37,;4.11,-3.91,;2.86,-4.81,;3.34,-6.28,;4.88,-6.28,;5.35,-4.81,;6.82,-4.34,;7.91,-5.43,;5.44,-1.6,;6.9,-2.07,;7.38,-3.54,;7.81,-.83,;6.9,.42,;7.38,1.88,;8.89,2.2,;9.36,3.67,;8.33,4.81,;8.81,6.28,;6.83,4.49,;6.35,3.03,;5.44,-.06,;4.11,.71,;-1.3,.57,)|
BDBM604442 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(CC4)C(=O)OC(C)(C)C)ccc23)N2CCC[C@H]2CO)c1
BDBM604443 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCNCC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604444 CC(=O)c1cc(ccc1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604445 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CO)cc23)-c2cccc(CO)c2)c1
BDBM604446 COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(N)=O
BDBM604504 Nc1n[nH]c2ccccc12
BDBM604505 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCC[C@H]2CO)c1
BDBM604506 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccccc3c2)c1
BDBM604507 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cc[nH]c3n2)c1
BDBM604508 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccccc3n2)c1
BDBM604509 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
BDBM603729 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCS(=O)(=O)CC1
BDBM603730 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C(F)C1)N1CCN(C)CC1
BDBM603731 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C1)N1CCN(C)CC1
BDBM603732 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCN(C)CC1
BDBM603733 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCC(C)(N)CC1
BDBM603827 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(ccc12)C#N
BDBM603828 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(N)cc12
BDBM603829 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1F
BDBM603830 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(C)cc12
BDBM603831 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(Cl)c(F)c12
BDBM603832 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(cccc12)C(F)(F)F
BDBM604377 CC(C)(C)OC(=O)N1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1
BDBM604378 COc1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604379 COc1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604380 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604381 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2sccc2n1
BDBM604382 N#CC1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1 |(7.12,4.13,;5.59,4.29,;4.05,4.45,;2.86,3.48,;1.89,4.68,;3.09,5.64,;.36,4.84,;-.41,6.17,;-1.92,5.85,;-2.08,4.32,;-3.41,3.55,;-3.41,2.01,;-2.08,1.24,;-2.08,-.3,;-3.41,-1.07,;-4.75,-.3,;-6.21,-.78,;-7.12,.47,;-6.21,1.71,;-4.75,1.24,;-.75,-1.07,;.66,-.45,;1.69,-1.59,;.92,-2.92,;-.59,-2.6,;-1.73,-3.63,;-1.41,-5.14,;-2.55,-6.17,;-4.02,-5.69,;-4.34,-4.19,;-3.19,-3.16,;-.67,3.69,)|
BDBM604642 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604643 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@@H]2CO)c1
BDBM604644 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@@H]2CO)c1
BDBM604645 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604647 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3cc[nH]c3n2)c1
BDBM604719 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCN(C)CC2)N2CCC[C@@H]2CO)c1
BDBM604720 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCC4)cc23)N2CCC[C@H]2CO)c1
BDBM604721 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C2=CCNCC2)c1 |t:38|
BDBM604722 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)cnc23)N2CCC[C@H]2CO)c1
BDBM604723 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)cnc23)N2CCC[C@H]2C(N)=O)c1
BDBM604724 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncn(C)c3n2)c1
BDBM604538 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccnc3n2)c1
BDBM604539 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccccc3n2)c1
BDBM604540 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccc(OC(C)C)c3n2)c1
BDBM604541 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(F)(F)F)c3cccn3n2)c1
BDBM604542 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3sccc3n2)c1
BDBM604581 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCNCC4)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604791 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3ccccc23)c2cccn2n1
BDBM604792 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CC2)c2cccn2n1
BDBM604793 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCC2)c2cccn2n1
BDBM604794 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCCC2)c2cccn2n1
BDBM604795 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCCCC2)c2cccn2n1
BDBM604796 OC[C@@H]1CCCN1c1nc(Nc2nccs2)c2cccn2n1
BDBM604797 COC(=O)c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
BDBM604447 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(=O)N2CCCCC2)N2CCC[C@H]2C(N)=O)c1
BDBM604448 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc(O)cc(c2)C#N)c2cccn2n1
BDBM604449 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)c(F)c2)c2cccn2n1
BDBM604450 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CNC(C)C)ccc23)N2CCC[C@H]2CO)c1
BDBM604510 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
BDBM604511 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(CCc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
BDBM604512 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1
BDBM604513 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCCC2)c1
BDBM604514 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCC[C@H]2C(N)=O)c1
BDBM603734 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC2CCC(C1)N2
BDBM603735 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC2CCC(C1)N2C
BDBM603736 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@H]2C[C@@H]1CN2 |r|
BDBM603737 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@H]2C[C@@H]1CN2C |r|
BDBM603739 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C)(CC1)N1CCN(C)CC1
BDBM603833 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cn[nH]c12
BDBM603834 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2c(C)cccc12
BDBM603835 COc1ccc2ncc(F)c(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1 |(9.03,.14,;9.51,-1.32,;8.48,-2.47,;8.95,-3.93,;7.92,-5.08,;6.42,-4.76,;5.39,-5.9,;3.88,-5.58,;3.4,-4.12,;1.9,-3.79,;4.44,-2.97,;3.96,-1.51,;4.86,-.26,;3.96,.99,;2.49,.51,;1.16,1.28,;-.17,.51,;-.17,-1.03,;1.16,-1.8,;2.49,-1.03,;-1.51,1.28,;-2.84,.51,;-4.17,1.28,;-4.17,2.82,;-2.84,3.59,;-1.51,2.82,;-5.51,3.59,;-6.84,2.82,;-8.17,3.59,;-8.17,5.13,;-9.51,5.9,;-6.84,5.9,;-5.51,5.13,;5.94,-3.29,;6.97,-2.15,)|
BDBM603836 COc1cc(ccn1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603837 COc1cc(F)c2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
BDBM603838 COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM604383 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2ccsc2n1
BDBM604384 CC(C)(C)CC(=O)N1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
BDBM604385 CCN(CCO)c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
BDBM604386 C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccc2)c1
BDBM604387 C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccn2)c1
BDBM604388 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3cc[nH]c3c2)c2cccn2n1
BDBM604389 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccn2)c2cccn2n1
BDBM604648 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@@H]2CO)c1
BDBM604649 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccsc3n2)c1
BDBM604650 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3sccc3n2)c1
BDBM604651 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604652 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604653 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604725 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(C)cnc3n2)c1
BDBM604726 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncn(C)c23)N2CCC[C@H]2C(N)=O)c1
BDBM604744 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(C)CC4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604745 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCCC4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604746 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCOCC4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604544 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@@H](O)C3)c3cccn3n2)c1
BDBM604545 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604546 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@H](O)C3)c3cccn3n2)c1
BDBM604547 COc1c(ccc(c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(C)=O
BDBM604548 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCC[C@H]2C(N)=O)c1
BDBM604549 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@H](O)C[C@H]3CO)c3cccn3n2)c1
BDBM604582 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](CO)C2)c1
BDBM604583 COc1cc(Cl)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604584 COc1cc(ccc1Cl)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604585 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@H](C2)N(C)C)c1
BDBM604586 CNC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2occc2n1
BDBM604587 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnn(C)c23)N2CCC[C@H]2C(N)=O)c1
BDBM604798 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(CC4CCCCC4)ncc23)N2CCC[C@H]2CO)c1
BDBM604799 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCOCC4)c3n2)c1
BDBM604800 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ncc23)[C@@H]2CC[C@H](O)CC2)N2CCC[C@H]2CO)c1 |wU:29.32,37.42,26.28,(-7.4,-6.66,;-5.87,-6.82,;-4.97,-5.58,;-3.43,-5.74,;-2.53,-4.49,;-3.16,-3.08,;-4.69,-2.92,;-5.31,-1.52,;-6.85,-1.35,;-5.59,-4.17,;-7.12,-4.01,;-8.03,-5.25,;-1,-4.65,;-.23,-5.98,;1.28,-5.66,;1.44,-4.13,;2.77,-3.36,;2.77,-1.82,;1.44,-1.05,;1.44,.49,;2.77,1.26,;4.11,.49,;5.57,.96,;6.48,-.28,;5.57,-1.53,;4.11,-1.05,;6.05,2.43,;7.55,2.75,;8.03,4.21,;7,5.36,;7.47,6.82,;5.49,5.04,;5.02,3.57,;.11,1.26,;-1.3,.63,;-2.33,1.77,;-1.56,3.11,;-.06,2.79,;1.09,3.82,;2.55,3.34,;.03,-3.51,)|
BDBM604801 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C(C)C)c3n2)c1
BDBM604802 CCn1nc(C)c2c(nc(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc12)N1CCC[C@H]1CO
BDBM604451 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604452 COc1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604453 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccsc3n2)c1
BDBM604454 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccsc3n2)c1
BDBM604455 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(CO)c2)c1
BDBM604456 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2ccccc2C(N)=O)c1
BDBM604515 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCCC2)c1
BDBM604516 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncnn3cccc23)c1
BDBM604517 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCCC2)c1
BDBM604518 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCC[C@H]2CO)c1
BDBM604519 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@H]2C(N)=O)c1
BDBM604520 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(N)=O)c1
BDBM603740 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1C
BDBM603741 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2n1
BDBM603742 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C(C)C1)N1CCN(C)CC1
BDBM603743 CN1CCCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603744 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc(c1)S(C)(=O)=O
BDBM603745 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc(c1)P(C)(C)=O
BDBM603746 C1CN(CCN1)c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM603839 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccc(F)cc12
BDBM603840 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cc(F)cc12
BDBM603841 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccncc1
BDBM603842 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)c(F)c12
BDBM603843 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1C[C@@H]2CNC[C@@H]2C1 |r|
BDBM603844 Cc1ccc2nccc(-c3cnn4cc(cnc34)N3CC(C3)c3ccncc3)c2c1
BDBM603845 CN1CC2(C1)CCN(CC2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM604390 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3[nH]ccc3c2)c2cccn2n1
BDBM604391 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CC(C2)C#N)c2cccn2n1 |wU:2.1,(-3.19,-4.43,;-1.73,-4.9,;-.59,-3.87,;.92,-4.19,;1.69,-2.86,;.66,-1.71,;-.75,-2.34,;-2.08,-1.57,;-2.08,-.03,;-3.41,.74,;-3.41,2.28,;-2.08,3.05,;-.67,2.42,;.36,3.57,;-.41,4.9,;-1.92,4.58,;1.89,3.41,;2.86,2.21,;4.05,3.18,;3.09,4.38,;5.59,3.02,;7.12,2.86,;-4.75,-.03,;-6.21,.45,;-7.12,-.8,;-6.21,-2.05,;-4.75,-1.57,;-3.41,-2.34,)|
BDBM604392 C1CCC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
BDBM604393 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2cc(CO)sc2n1
BDBM604394 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc[nH]n2)c2cccn2n1
BDBM604395 COc1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604654 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604655 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(CN4CCCCC4)oc23)N2CCC[C@H]2C(N)=O)c1
BDBM604656 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnn(C)c23)N2CCC[C@H]2CO)c1
BDBM604657 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@@H]2CO)c1
BDBM604658 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604659 CCOc1ccc(cc1OCC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604747 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(CC4)c4ccccn4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604748 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCCC3)c3ccc(CN4CCCC4)cc3n2)c1
BDBM604749 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(=O)N2CCCCC2)N2CCC[C@H]2CO)c1
BDBM604750 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCC[C@H]2C(N)=O)c1
BDBM604751 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(O)=O)c1
BDBM604752 COC(=O)c1cc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2occc2c1
BDBM604550 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccc(cc4)C(F)(F)F)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604551 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccnc4)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604552 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccc(OC(F)(F)F)c4)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604553 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(CC(N)=O)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604554 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccc(cc4)C#N)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604588 OC[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)-c2ccccc2)nc2ccoc12
BDBM604589 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCC(N)=O)CCc23)N2CCC[C@H]2CO)c1
BDBM604590 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCC(N)=O)CCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604591 CCOc1ccc(cc1OCC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604592 COc1cc(C)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604593 COc1cc(ccc1C#N)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604803 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CC(F)(F)C4)c3n2)c1
BDBM604804 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3c(C)nn(C4CCC4)c3n2)c1
BDBM604805 COc1cc(cc(OC)c1OC)-c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
BDBM604806 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(CC4CCCCC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604807 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(CC4CC4)c3n2)c1
BDBM604457 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(c2)C(N)=O)c1
BDBM604458 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2ccccc2CO)c1
BDBM604459 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3sccc3n2)c1
BDBM604460 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3sccc3n2)c1
BDBM604461 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCC[C@H]2CO)c1
BDBM604462 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2CO)c1
BDBM604521 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCCC2)c1
BDBM604522 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604523 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
BDBM604524 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3cccnc3n2)c1
BDBM604404 Cn1cnc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1 |r|
BDBM603747 CC(=O)N1CCC(CC1)N1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccccc12
BDBM603749 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(N)CC1
BDBM603750 Cc1cc(-c2cnn3cc(cnc23)N2CCC(N)CC2)c2ccccc2n1
BDBM603751 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N(C)C
BDBM603752 CN(C)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603753 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCC(C1)N(C)C
BDBM603847 Cc1cc(-c2cnn3cc(cnc23)N2CC3(CC(N)C3)C2)c2ccccc2n1
BDBM603848 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC2(CC(N)C2)C1
BDBM603850 CN1CC2(C1)CN(C2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM604396 COc1ccc(cc1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604397 C1CC(N(C1)c1nc(Nc2cn(cn2)-c2cc[nH]n2)c2cccn2n1)c1ccccn1
BDBM604398 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@H]2CO)c1
BDBM604399 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc3ncccc23)c2cccn2n1
BDBM604400 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2sc(CO)cc2n1
BDBM604401 CCCC=Cc1ccc2c(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(nn12)N1CCC[C@H]1CO
BDBM604660 COc1ccc(cc1C(F)(F)F)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604661 COc1cncc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604662 COc1cc(Cl)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604663 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ncsc3n2)c1
BDBM604664 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)c3cccn3n2)c1
BDBM604665 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3[C@@H]4C[C@@H]4C[C@H]3CO)c3cccn3n2)c1
BDBM604753 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCCC2)c1
BDBM604754 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCC[C@@H](N)C2)c1
BDBM604755 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)cc2)c2cccn2n1
BDBM604756 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)n1
BDBM604757 COC(=O)c1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604758 COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(=O)N1CCC[C@H]1CO
BDBM604555 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccc(c4)C#N)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604556 COc1cc2nc(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@H]3CO)c2cc1OC
BDBM604557 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(C)(C)O)c3cccn3n2)c1
BDBM604558 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC(F)(F)C[C@H]3CO)c3cccn3n2)c1
BDBM604559 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCCC2)c1
BDBM604594 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(C(=O)N4CCCCC4)n3n2)c1
BDBM604595 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC(F)(F)C2)c1
BDBM604596 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](C2)N(C)C)c1
BDBM604597 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(OC(F)(F)F)c2)nn2cccc12
BDBM604598 Cc1cc(OC(F)(F)F)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604599 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCc3c(n2)N2CCC[C@@H]2CO)c1
BDBM604808 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C4CCC4)c3n2)c1
BDBM604809 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4C[C@H](O)C4)c3n2)c1 |wU:34.36,wD:24.26,32.33,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
BDBM604810 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4C[C@H](O)C4)c3n2)c1 |wU:34.36,32.33,wD:24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
BDBM604811 OC[C@@H]1CCCN1C(=O)c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
BDBM604812 CNC(=O)c1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C1CC1
BDBM604463 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2C(N)=O)c1
BDBM604464 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2CO)c1
BDBM604465 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3c(OC(C)C)cccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604466 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3c(OC(C)C)cccc23)N2CCC[C@H]2CO)c1
BDBM604467 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@H]2CO)c1
BDBM603754 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CNC1
BDBM603755 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCOCC1
BDBM603756 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCOCC1
BDBM603758 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(C)CC1
BDBM603759 CN1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603760 Cc1cc(-c2cnn3cc(cnc23)N2CCOCC2)c2ccccc2n1
BDBM603853 Cc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCOCC1
BDBM603856 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)cc12
BDBM603857 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cccc2c(cccc12)C(N)=O
BDBM603858 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(C)cc12
BDBM604402 CC(C)(C)OC(=O)N1CCC(=CC1)c1ccc2c(Nc3cn(cn3)-c3ccccc3)nc(nn12)N1CCC[C@H]1CO |c:10|
BDBM604405 OC[C@@H]1CCCN1c1cc(F)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604406 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@H]2CO)c1
BDBM604407 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(Br)ccc23)N2CCC[C@H]2CO)c1
BDBM604666 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ncc23)C2CCCCO2)N2CCC[C@H]2CO)c1
BDBM604667 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccccc3n2)c1
BDBM604668 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(C)ncc3n2)c1
BDBM604669 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ncc23)N2CCC[C@H]2CO)c1
BDBM604670 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(OC(F)(F)F)c2)c2cccn2n1
BDBM604671 Cc1cc(OC(F)(F)F)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604759 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)c(Cl)c2)c2cccn2n1
BDBM604760 COc1cc(cc(OC)c1OC)-c1nnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)o1
BDBM604761 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(C(=O)N3CCCC3)c3cccn3n2)c1
BDBM604762 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)c(Br)c2)c2cccn2n1
BDBM604763 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccncc2)c2cccn2n1
BDBM604764 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCN(CCO)CC2)c1
BDBM604560 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCCC2)c1
BDBM604561 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604562 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3cccn3n2)c1
BDBM604563 COc1cncc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604564 COc1ccc(cc1C(F)(F)F)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604565 COc1cc(cc(C(N)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccn3n2)c1
BDBM604600 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N(C)C2CCN(C)CC2)c1
BDBM604601 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604602 COc1c(O)cc(cc1C(=O)NCC1CC1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604603 COc1cc(cc(C(N)=O)c1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604605 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2[C@H](CO)CCC2=O)c1
BDBM604813 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3COC(=O)c3c2)c2cccn2n1
BDBM604814 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2CC[C@H](O)CC2)c2cccn2n1 |wU:19.21,2.1,wD:16.17,(-2.88,-4.43,;-1.41,-4.9,;-.27,-3.87,;1.24,-4.19,;2.01,-2.86,;.98,-1.71,;-.43,-2.34,;-1.76,-1.57,;-1.76,-.03,;-3.1,.74,;-3.1,2.28,;-1.76,3.05,;-.36,2.42,;.67,3.57,;-.1,4.9,;-1.6,4.58,;2.21,3.41,;2.83,2,;4.36,1.84,;5.27,3.09,;6.8,2.92,;4.64,4.49,;3.11,4.65,;-4.43,-.03,;-5.9,.45,;-6.8,-.8,;-5.9,-2.05,;-4.43,-1.57,;-3.1,-2.34,)|
BDBM604815 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccn(C(C)C)c3n2)c1
BDBM604816 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2C[C@H](O)C2)c2cccn2n1 |wU:18.20,2.1,wD:16.17,(-2.43,-4.43,;-.96,-4.9,;.18,-3.87,;1.69,-4.19,;2.46,-2.86,;1.43,-1.71,;.02,-2.34,;-1.31,-1.57,;-1.31,-.03,;-2.65,.74,;-2.65,2.28,;-1.31,3.05,;.09,2.42,;1.12,3.57,;.35,4.9,;-1.15,4.58,;2.65,3.41,;3.62,2.21,;4.82,3.18,;6.35,3.02,;3.85,4.38,;-3.98,-.03,;-5.45,.45,;-6.35,-.8,;-5.45,-2.05,;-3.98,-1.57,;-2.65,-2.34,)|
BDBM604817 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2CC[C@H](CO)CC2)c2cccn2n1 |wU:16.17,2.1,wD:19.21,(-3.33,-4.43,;-1.87,-4.9,;-.72,-3.87,;.79,-4.19,;1.56,-2.86,;.52,-1.71,;-.88,-2.34,;-2.22,-1.57,;-2.22,-.03,;-3.55,.74,;-3.55,2.28,;-2.22,3.05,;-.81,2.42,;.22,3.57,;-.55,4.9,;-2.05,4.58,;1.75,3.41,;2.66,4.65,;4.19,4.49,;4.82,3.09,;6.35,2.92,;7.25,4.17,;3.91,1.84,;2.38,2,;-4.88,-.03,;-6.35,.45,;-7.25,-.8,;-6.35,-2.05,;-4.88,-1.57,;-3.55,-2.34,)|
BDBM604468 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)-c2cccc(c2)C(N)=O)c1
BDBM604469 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccn3n2)c1
BDBM604470 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3occc3n2)c1
BDBM604471 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCN(Cc4ccccc4)Cc23)N2CCC[C@H]2CO)c1
BDBM604472 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncsc3n2)c1
BDBM604473 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3occc3n2)c1
BDBM603761 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC(C)(C)O)CC2)c2ccccc2n1
BDBM603762 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CN(C)C1
BDBM603763 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC(C)(C)O)CC1
BDBM603764 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(CC#N)(C1)N1CCN(C)CC1
BDBM603765 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1ccncc1
BDBM603766 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1ccnc(C)n1
BDBM603767 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1nnc(C)s1
BDBM603864 COc1cc(F)c2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
BDBM603866 CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cccc12
BDBM604323 Cn1cnc(Nc2nc(Cl)nc3ccoc23)c1
BDBM604324 Cn1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2CO)c1
BDBM604325 Cn1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2CO)c1
BDBM604326 Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
BDBM604327 Cn1cnc(Nc2nc(Cl)nn3cccc23)c1
BDBM604328 Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2ccccn2)c1
BDBM604329 Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604330 Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2CO)c1
BDBM604408 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@H]2CO)c1
BDBM604409 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2scc(Br)c2n1
BDBM604410 COc1ccc(cc1)-c1nc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2cccn2n1
BDBM604411 COc1ccc(cc1)-c1csc2c(Nc3cn(cn3)-c3ccccc3)nc(nc12)N1CCC[C@H]1CO
BDBM604412 COc1ccc(cc1)-c1ccc2c(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(nn12)N1CCC[C@H]1CO
BDBM604413 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604672 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@@H]4C[C@@H]4[C@H]3CO)c3cccn3n2)c1
BDBM604673 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@H](CO)C3)c3cccn3n2)c1
BDBM604674 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCN(C)CC2)c1
BDBM604675 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccc(CN4CCCCC4)c3n2)c1
BDBM604676 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccc(OC(C)C)cc3n2)c1
BDBM604677 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)ncc23)N2CCC[C@H]2CO)c1
BDBM604566 COc1cc(cc(C(N)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604567 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3ncsc3n2)c1
BDBM604568 COc1cc(cc(C(C)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604569 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCN(C)CC2)c1
BDBM604570 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(=O)NC2CC2)c1
BDBM604571 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](O)C2)c1
BDBM604606 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604607 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2CCC[C@@H]2CO)c1
BDBM604608 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCS(=O)(=O)Cc3c(n2)N2CCC[C@H]2CO)c1
BDBM604609 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3C(=O)N(Cc23)C(C)C)N2CCC[C@H]2CO)c1
BDBM604610 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3C(=O)N(Cc23)C(C)C)N2CCC[C@@H]2CO)c1
BDBM604611 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@H]2CO)c1
BDBM604474 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCN(Cc4ccccc4)Cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604475 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc4ccccc4)CCc23)N2CCC[C@H]2CO)c1
BDBM603868 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)C(=O)C1
BDBM603869 COc1cc2c(cc[n+]([O-])c2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603870 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCNCC1=O
BDBM603871 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N(C)CCN(C)C
BDBM604331 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1
BDBM604332 C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1)c1ccccn1
BDBM604333 Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccc2)c1
BDBM604678 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)ncc23)N2CCC[C@H]2C(N)=O)c1
BDBM604679 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C)c3n2)c1
BDBM604680 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2occc2n1
BDBM604681 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccc(F)c23)N2CCC[C@H]2C(N)=O)c1
BDBM604476 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc4ccccc4)CCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604477 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604478 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCCC2)c1
BDBM604479 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604480 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)-c2ccccc2C(N)=O)c1
BDBM604481 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@H]2C(N)=O)c1
BDBM604727 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(C)ccc23)N2CCC[C@H]2CO)c1
BDBM604728 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(C)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604729 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(C)cc3n2)c1
BDBM604730 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2[C@@H]3C[C@@H]3C[C@H]2CO)c1
BDBM604731 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]cc(C#N)c23)N2CCC[C@H]2C(N)=O)c1
BDBM604732 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2[C@@H]3C[C@@H]3C[C@H]2CO)c1
BDBM603768 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cccnc12
BDBM603769 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC(F)(F)C1
BDBM603770 CN1CCN(CC(F)(F)C1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603771 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCCN(C)CC3)c2c1
BDBM603873 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1=O
BDBM604334 Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2cccnc2)c1
BDBM604335 Cn1cnc(Nc2nc(nc3ccsc23)N2CCCC2c2ccccn2)c1
BDBM604336 Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2ccccc2)c1
BDBM604337 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1
BDBM604338 Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccc2)c1
BDBM604339 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1
BDBM604340 C[C@H](Nc1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1)c1ccccc1
BDBM604682 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccc(F)c23)N2CCC[C@H]2CO)c1
BDBM604683 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCOCc23)N2CCC[C@H]2CO)c1
BDBM604684 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCOCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604685 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(Br)ccc23)N2CCC[C@H]2CO)c1
BDBM604686 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@H]2C(N)=O)c1
BDBM604687 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3c(n2)N2CCC[C@H]2CO)c1
BDBM604572 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@H](O)C2)c1
BDBM604573 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(=O)NCC2CC2)c1
BDBM604574 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2CO)c1
BDBM604575 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)C2CC2)c1
BDBM604482 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccn(c3n2)S(=O)(=O)c2ccc(C)cc2)c1
BDBM604483 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccn(c23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2CO)c1
BDBM604484 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCC[C@H]2C(N)=O)c1
BDBM604485 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccn(c23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2C(N)=O)c1
BDBM604486 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)c1
BDBM604733 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]cc(C#N)c23)N2CCC[C@H]2CO)c1
BDBM604734 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604735 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(CN4CCCC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604736 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]nc(C)c23)N2CCC[C@H]2CO)c1
BDBM604737 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]nc(C)c23)N2CCC[C@H]2C(N)=O)c1
BDBM603772 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)c1ccncc1
BDBM603773 Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)c2ccncc2)c2ccccc2n1
BDBM603774 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)C(C)(C)N
BDBM603775 CS(=O)(=O)c1cccc(c1)-c1cnn2cc(cnc12)N1CCNCC1
BDBM603776 CS(=O)(=O)c1cccc(c1)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
BDBM603777 COc1cc2c(ccnc2cc1F)-c1c(N)nn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1 |(7.93,-3.29,;7.93,-4.83,;6.59,-5.6,;5.26,-4.83,;3.93,-5.6,;2.59,-4.83,;1.26,-5.6,;1.26,-7.14,;2.59,-7.91,;3.93,-7.14,;5.26,-7.91,;6.59,-7.14,;7.93,-7.91,;2.59,-3.29,;3.84,-2.39,;5.3,-2.86,;3.36,-.92,;1.82,-.92,;.79,.22,;-.71,-.1,;-1.19,-1.56,;-.16,-2.71,;1.35,-2.39,;-1.74,1.05,;-1.27,2.51,;-2.3,3.65,;-3.81,3.33,;-4.28,1.87,;-3.25,.73,;-4.84,4.48,;-4.36,5.94,;-5.39,7.09,;-6.9,6.77,;-7.93,7.91,;-7.37,5.3,;-6.34,4.16,)|
BDBM603778 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@@H]2C[C@H]1CN2C |r|
BDBM603881 CN(C)CCOC1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603883 COc1cc2c(ccnc2cc1F)-c1cnc2cc(ccn12)N1CCC(CC1)N1CCN(C)CC1
BDBM603884 COc1cc2c(ccnc2cc1F)-c1cnc2cc(cnn12)N1CCC(CC1)N1CCN(C)CC1
BDBM604341 Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccn2)c1
BDBM604342 Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2cccnc2)c1
BDBM604343 Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccncc2)c1
BDBM604688 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@H]2CO)c1
BDBM604689 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C#N)c1
BDBM604690 COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(N3CCC[C@H]3CO)c3ccccc3n2)nc1
BDBM604691 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCCCC2)N2CCC[C@H]2CO)c1
BDBM604576 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)[C@@H]2CCC(=O)N2)c1
BDBM604577 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)c2ccc(cc2)C#N)c1
BDBM604578 COc1cc(OC)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604579 COc1ccc(cc1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604580 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(OC(C)C)cc3n2)c1
BDBM604612 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(F)cc3n2)c1
BDBM604613 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604614 COC(=O)c1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604615 COC(=O)c1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604738 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(nc(C)c23)C2CCCCO2)N2CCC[C@H]2CO)c1
BDBM604739 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(nc(C)c23)C2CCCCO2)N2CCC[C@H]2C(N)=O)c1
BDBM603779 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC2(CN(C)C2)CC1
BDBM603780 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC2(CCN(C)CC2)CC1
BDBM603781 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1C[C@@H]2CN(C)C[C@@H]2C1 |r|
BDBM603782 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc(c1)N1CCOCC1
BDBM603783 COc1cc2c(cc(=O)[nH]c2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603784 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
BDBM604344 C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccccc2n1)c1ccccc1
BDBM604692 COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(nc3ccccc23)N2CCC[C@H]2CO)nc1
BDBM604693 COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(nc3ccccc23)N2CCC[C@H]2C(N)=O)nc1
BDBM604694 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3c(n2)N2CCC[C@@H]2CO)c1
BDBM604695 OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1
BDBM604696 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(N3CCC[C@H]3CO)c3ccccc3n2)c1
BDBM604697 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@@H]2CO)c1
BDBM604616 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3COCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604617 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3COCc3c(n2)N2CCC[C@@H]2CO)c1
BDBM604618 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@H]2CO)c1
BDBM604619 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@@H]2CO)c1
BDBM604487 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@H]2CO)c1
BDBM604488 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604489 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCC[C@H]2C(N)=O)c1
BDBM604543 COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccc(Nc4cn(cn4)-c4cc(OC)c(OC)c(OC)c4)cc3c2)c1
BDBM604740 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCCO4)c3n2)c1
BDBM604741 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)n[nH]c3n2)c1
BDBM604742 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCC4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM604743 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCC(O)CC4)cc23)N2CCC[C@H]2C(N)=O)c1
BDBM603786 CN1CCN(CC1)C1CCN(CC1)c1cc(OC2CCOCC2)c2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603787 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cc(OC3CCOCC3)c12)N1CCC(CC1)N1CCN(C)CC1
BDBM603788 CN1CCN(CC1)C1CCN(CC1)c1cc(OC2CCOCC2)c2c(cnn2c1)-c1cn[nH]c1
BDBM603789 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)sc12
BDBM603790 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)[nH]c12
BDBM603791 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc[nH]c12
BDBM604345 Cc1cc2c(Nc3cn(cn3)-c3ccccc3)nc(nc2s1)N1CCC[C@H]1CO
BDBM604346 Cc1cc2nc(nc(Nc3cn(cn3)-c3ccccc3)c2s1)N1CCC[C@H]1CO
BDBM604347 C[C@H](Nc1nc(Nc2cn(cn2)-c2ccccc2)c2ccccc2n1)c1ccccc1
BDBM604348 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2cccn2n1
BDBM604349 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CC2)c2cccn2n1
BDBM604350 C1CC1n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
BDBM604351 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1
BDBM604414 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(cc23)C(=O)OCC(C)C)N2CCC[C@H]2CO)c1
BDBM604698 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
BDBM604699 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)nc(C)c23)N2CCC[C@H]2C(N)=O)c1
BDBM604700 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)nc(C)c23)N2CCC[C@H]2CO)c1
BDBM604701 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604702 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604703 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCc23)N2CCC[C@H]2CO)c1
BDBM604620 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@@H]2CO)c1
BDBM604621 COc1cc(cc(C(=O)NC2CCCC2)c1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604622 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@@H](CO)C3)c3cccn3n2)c1
BDBM604623 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@H]2CO)c1
BDBM604624 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@H]2C(N)=O)c1
BDBM604625 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C(F)(F)F)c1
BDBM604424 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2CO)c1
BDBM604490 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cc[nH]c3n2)c1
BDBM603694 Cc1cc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc2n1
BDBM603695 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603698 NC(=O)c1ccc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc12
BDBM603699 NC(=O)c1cccc2c(cccc12)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
BDBM603700 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccc(C(N)=O)c2ccccc12
BDBM603792 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(N)nc2ccccc12
BDBM603794 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)c(C)cc12
BDBM604352 C1CC(N(C1)c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1)c1ccccn1
BDBM604353 C1CC1n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccc2)c1
BDBM604354 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
BDBM604355 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2ccccc2n1
BDBM604356 C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1)c1ccccn1
BDBM604357 CN1CCN(CC1)c1nc(Nc2cn(C)cn2)c2cccn2n1
BDBM604358 CN1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1
BDBM604415 NC(=O)c1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604416 NC(=O)c1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604417 CC(=O)c1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604418 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
BDBM604419 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCOCC4)cc23)N2CCC[C@H]2CO)c1
BDBM604420 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C2=CCN(CC2)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1 |t:29|
BDBM604704 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(N)c2)c1
BDBM604705 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCc3c(n2)N2CCC[C@@H]2CO)c1
BDBM604706 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(F)c2)c1
BDBM604707 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCN(C)CC2)N2CCC[C@H]2CO)c1
BDBM604708 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(NS(C)(=O)=O)c2)c1
BDBM604765 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCCOc3c2)c2cccn2n1
BDBM604766 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc3OCOc23)c2cccn2n1
BDBM604767 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(O)c2O)c2cccn2n1
BDBM604768 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2cccn2n1
BDBM604769 COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(=O)N(C)C
BDBM604770 CNC(=O)c1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604818 Cc1cc(Cl)cc(c1)-c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
BDBM604819 COc1cc(cc(OC)c1OC)-c1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)s1
BDBM604425 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(C)CC4)cc23)N2CCC[C@H]2CO)c1
BDBM604426 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604427 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(CC4)C4CC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604428 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C2=CCNCC2)N2CCC[C@H]2CO)c1 |t:29|
BDBM604429 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(CC4)c4ccccn4)cc23)N2CCC[C@H]2CO)c1
BDBM604491 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc[nH]c23)N2CCC[C@H]2CO)c1
BDBM604492 COc1cc(cc(C#N)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604493 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3cccn3n2)c1
BDBM604494 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCC[C@H]2CO)c1
BDBM604495 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCC[C@H]2C(N)=O)c1
BDBM604496 OC[C@@H]1CCCN1c1nc(Nc2nc3ccccc3o2)c2sccc2n1
BDBM603701 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc2c(cccc12)C(N)=O
BDBM603702 NC(=O)c1ccc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc12
BDBM603703 NC(=O)c1cccc2c(cccc12)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCOCC1
BDBM603704 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cn[nH]c1
BDBM603705 COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCOCC1
BDBM603706 COc1cc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2cc1OC
BDBM603707 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc3OCOc3cc12
BDBM603803 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C(F)F
BDBM603804 COc1cc2c(ccnc2cc1O)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603805 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(Cl)cc12
BDBM604360 C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
BDBM604359 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2F)c2cccn2n1
BDBM604421 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(C)O)N2CCC[C@H]2CO)c1
BDBM604771 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2ccsc2n1
BDBM604772 NC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2ccsc2n1
BDBM604773 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C4CCCCO4)c3n2)c1
BDBM604774 NC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2ccsc2n1
BDBM604775 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2ccsc2n1
BDBM604776 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2cccn2n1
BDBM604430 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CO)cc23)-c2cccc(C=O)c2)c1
BDBM604431 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(C=O)c2)c1
BDBM603708 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CCN3CCOCC3)CC2)c2ccccc2n1
BDBM603709 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
BDBM603710 CCOc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
BDBM603711 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCOCC2)c2ccccc2n1
BDBM603713 CC(=O)N1CCC(CC1)N1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
BDBM603714 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1c[nH]c(=O)c2ccccc12
BDBM603806 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(Cl)cc12
BDBM603807 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(O)cc12
BDBM603808 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc2[nH]ncc12
BDBM603809 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(Cl)ccc12
BDBM603810 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(ccc12)C(F)(F)F
BDBM603811 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cnn(C)c1
BDBM603812 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2[nH]ccc12
BDBM604361 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cnc3ccccc3c2)c2cccn2n1
BDBM604362 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccnc2)c2cccn2n1
BDBM604363 C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1)c1ccccc1
BDBM604364 Cc1csc2c(Nc3cn(cn3)-c3ccccc3)nc(nc12)N1CCC[C@H]1CO
BDBM604365 Cc1cc2nc(nc(Nc3cn(cn3)-c3ccc(F)cc3)c2s1)N1CCC[C@H]1CO
BDBM604366 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCC2)c2cccn2n1
BDBM604367 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(F)c2)c2cccn2n1
BDBM604422 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CO)ccc23)N2CCC[C@H]2CO)c1
BDBM604423 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCC(O)CC4)cc23)N2CCC[C@H]2CO)c1
BDBM604626 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@@H]2C(N)=O)c1
BDBM604627 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604628 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@H]2CO)c1
BDBM604629 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@@H]2CO)c1
BDBM604525 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3[nH]ccc3n2)c1
BDBM604777 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(CO)c2)c2cccn2n1
BDBM604778 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4CC[C@H](N)CC4)c3n2)c1 |wU:32.33,wD:35.37,24.26,(-8.74,-2.58,;-7.21,-2.75,;-6.3,-1.5,;-4.77,-1.66,;-3.86,-.41,;-4.49,.99,;-6.02,1.15,;-6.65,2.56,;-8.18,2.72,;-6.93,-.09,;-8.46,.07,;-9.36,-1.18,;-2.33,-.58,;-1.56,-1.91,;-.06,-1.59,;.11,-.06,;1.44,.71,;2.77,-.06,;2.77,-1.6,;4.11,-2.37,;4.11,-3.91,;2.86,-4.81,;3.34,-6.28,;4.88,-6.28,;5.35,-4.81,;6.82,-4.34,;7.91,-5.43,;5.44,-1.6,;6.9,-2.07,;7.38,-3.54,;7.81,-.83,;6.9,.42,;7.38,1.88,;6.35,3.03,;6.83,4.49,;8.33,4.81,;8.81,6.28,;9.36,3.67,;8.89,2.2,;5.44,-.06,;4.11,.71,;-1.3,.57,)|
BDBM604779 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(CO)cc2)c2cccn2n1
BDBM604780 Cc1cc(ccn1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604781 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(CC4CCCCC4)c3n2)c1
BDBM604432 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCOCC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604433 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(C)CC4)ccc23)N2CCC[C@H]2CO)c1
BDBM604434 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCCC4)cc23)N2CCC[C@H]2CO)c1
BDBM604435 COCCN1CCN(Cc2ccc3c(Nc4cn(cn4)-c4cc(OC)c(OC)c(OC)c4)nc(nn23)N2CCC[C@H]2CO)CC1
BDBM604436 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccccc3n2)c1
BDBM604497 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@H]2C(N)=O)c1
BDBM603715 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cnn2ccccc12
BDBM603716 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)c2ccncc2)c2ccccc2n1
BDBM603717 COc1cc2c(ccnc2cc1Cl)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603718 COc1cc2c(ccnc2cc1C)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM603719 COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCOCC3)c2c1
BDBM603720 Cn1cc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc2c1=O
BDBM603721 Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2(C)CCNCC2)c2ccccc2n1
BDBM603813 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccsc12
BDBM603814 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc(N)c1
BDBM603815 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2sccc12
BDBM603816 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(F)cc12
BDBM603817 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(OC(F)(F)F)cc12
BDBM603818 CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2n(C)ccc12
BDBM603819 COc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
BDBM604368 COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(cn3)-c3ccccc3)c3ccsc3n2)c(F)c1
BDBM604369 C1C[C@H](N(C1)c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1)c1ccccc1
BDBM604370 CC(=O)c1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
BDBM604630 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604631 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@H]2C(N)=O)c1
BDBM604632 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@@H]2C(N)=O)c1
BDBM604633 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@@H]2CO)c1
BDBM604634 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2CO)c1
BDBM604635 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@@H]2CO)c1
BDBM604709 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCNCC2)N2CCC[C@H]2CO)c1
BDBM604710 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(NC(C)=O)c2)c1
BDBM604711 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C)c3n2)c1
BDBM604712 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc23)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1
BDBM604526 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCNCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604527 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCNCc3c(n2)N2CCC[C@H]2C(N)=O)c1
BDBM604528 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCCc3c(n2)N2CCC[C@H]2CO)c1
BDBM604529 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCCc3c(n2)N2CCC[C@H]2C(N)=O)c1
BDBM604530 COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3cn2)c1
BDBM604531 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ncsc3n2)c1
BDBM604782 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCCC4)c3n2)c1
BDBM604783 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCC4)c3n2)c1
BDBM604784 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3c(F)cccc23)c2cccn2n1
BDBM604785 COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCC4)c3n2)c1
BDBM604786 OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3ccsc23)c2cccn2n1
BDBM280370 CC(C)c1cnc(cc1Nc1ncnc2[nH]ncc12)-c1cc(Cl)ccc1F
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM614205 CN1CCN(CC1)c1cc(F)ccc1Nc1nccc(Nc2cnnc3c(C)cccc23)n1
BDBM614206 Cc1cccc2c(Nc3ccnc(Nc4ccc(F)cc4N4CCNCC4)n3)cnnc12
BDBM621055 Cc1cccc(n1)-n1nccc1-c1ccc2ncsc2c1
BDBM621066 Cc1cccc(n1)-n1nccc1-c1ccc2ccnn2c1
BDBM621067 Cc1cccc(n1)-n1nccc1-c1ccn2ccnc2c1
BDBM621068 Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
BDBM621069 Cc1cccc(n1)-n1nccc1-c1cnc2ccnn2c1
BDBM621070 Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1
BDBM621071 Cc1cccc(n1)-n1nccc1-c1ccn2ncc(C(N)=O)c2c1
BDBM621072 Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1
BDBM621073 Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
BDBM621074 Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1
BDBM621064 Cc1cccc(n1)-n1nccc1-c1ccn2ncnc2c1
BDBM50614501 CN1CC2CCC(C2c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)C1=O
BDBM50613901 Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)S(C)(=O)=O
BDBM50614509 [H][C@@]12CC[C@@]([H])(N1c1ncc3[nH]nc(-c4cnn(c4)C4CCC4)c3n1)C(=O)N(C)C2 |r|
BDBM50613899 CCn1ncc2cc(ccc12)-c1nc(NCc2cccc(F)c2)[nH]c1-c1cccc(C)n1
BDBM50613900 Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)C(F)F
BDBM50613898 Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1
BDBM50613917 Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1