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754 SMILES Strings for ATP-sensitive inward rectifier potassium channel 1

Compound NameSMILES String
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM290112 Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290036 Clc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290034 COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290035 Clc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290081 COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290086 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1 |r|
BDBM290046 COc1cc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCCc3c2)c(F)cc1C#N |r|
BDBM290044 COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCCc3c2)ccc1C#N |r|
BDBM290045 COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCCc3c2)c(F)cc1C#N |r|
BDBM290056 Cc1cc2C(=O)OCc2cc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290040 COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cc2)-n2cnnn2)c(F)c1C#N |r|
BDBM290090 Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290091 Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290078 COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N |r|
BDBM290077 COc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N |r|
BDBM290079 COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290080 COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290065 Cc1c2COC(=O)c2ccc1C1CN2CCCN(CC2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM290066 Cc1c2COC(=O)c2ccc1C1CN2CCN(CCC2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM290113 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290026 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290082 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1C#N)-n1cnnn1 |r|
BDBM290029 COc1cc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)c(F)cc1C#N |r|
BDBM290042 COc1cc(F)c(cc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290041 COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cc2)-n2cnnn2)c(C)c1C#N |r|
BDBM290043 COc1cc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCCc3c2)ccc1C#N |r|
BDBM290030 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290031 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290033 COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290114 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290063 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290060 CC(C(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c(C#N)c1C)c1ccc(cc1)-n1cnnn1 |r|
BDBM290038 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc2C(=O)OCc2c1 |r|
BDBM290048 COc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290084 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1Cl)-n1cnnn1 |r|
BDBM290068 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM290092 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM290049 Cc1c(ccc(Cl)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290075 Cc1c(CC(=O)N2CCN3C[C@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1 |r|
BDBM290071 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1 |r|
BDBM290083 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1C#N)-n1cnnn1 |r|
BDBM290111 Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290054 Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290058 Cc1c(cccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r|
BDBM73213 [O-][N+](=O)c1ccc2nc(CCCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1
BDBM73214 COc1ccc(cc1CN1CCOCCOCCN(Cc2ccc(cc2OC)[N+]([O-])=O)CCOCC1)[N+]([O-])=O
BDBM73215 [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
BDBM290095 O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1cccc(c1)-n1cnnn1 |r|
BDBM290093 O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM290094 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM290096 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM161036 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNCC(O)c1ccc(cn1)C#N |r|
BDBM161033 Cc1c2COC(=O)c2ccc1[C@@H](O)CNCC1CCCN1C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM161034 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNC(CO)c1ccc2C(=O)OCc2c1C |r|
BDBM161035 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNC(CO)c1ccc2C(=O)OCc2c1C |r|
BDBM161037 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC[C@H](C1)NCC(O)c1ccc(cn1)C#N |r|
BDBM161038 Cc1c2COC(=O)c2ccc1[C@@H](O)CN[C@@H]1CCN(CC(O)c2ccc(cn2)C#N)C1 |r|
BDBM161039 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNCC(O)c1ccc(cn1)C#N |r|
BDBM161040 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC(CNS(=O)(=O)c2ccc(cc2)[N+]#[C-])C1 |r|
BDBM161041 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[N+]#[C-] |r|
BDBM161042 Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1C[C@H]2C[C@@H]1N(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r,TLB:21:20:15.16:18,THB:14:15:18:20.35|
BDBM161043 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNc1ccc(cn1)[N+]#[C-] |r|
BDBM161044 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNS(=O)(=O)c1ccc(cc1)-n1cnnn1 |r|
BDBM161045 Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1CCCN(C1)c1ccc(cn1)[N+]#[C-] |r|
BDBM161046 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC(C)(CNc2ccc(cn2)[N+]#[C-])C1 |r|
BDBM161047 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC(CNc2ccc(cn2)[N+]#[C-])(C1)c1ccccc1 |r|
BDBM161031 Cc1c2COC(=O)c2ccc1[C@@H](O)CN[C@@H]1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM161032 Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1(CCC1)C1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50391771 [O-][N+](=O)c1ccc(CCN2CCNCC2)cc1
BDBM50391772 N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1
BDBM50391773 C(Cc1ccc2nonc2c1)N1CCN(CCc2ccc3nonc3c2)CC1
BDBM50391774 CS(=O)(=O)c1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391775 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(F)cc3)CC2)cc1
BDBM50391776 N#Cc1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
BDBM50391777 COc1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM50391778 O=C1OCc2cc(CCN3CCN(CCc4ccc(C#N)c(OC5CC5)c4)CC3)ccc12
BDBM50391779 CSc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391780 CNc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391781 Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391782 Brc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391783 COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391784 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3ncco3)CC2)cc1
BDBM50391785 CS(=O)(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM50391786 Clc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391788 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
BDBM50391789 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
BDBM50391790 [O-][N+](=O)c1ccc(CCN2CCN(CCc3cccc(c3)C#N)CC2)cc1
BDBM50391791 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4[n-][o+]nc4c3)CC2)cc1
BDBM50391792 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cncnc3)CC2)cc1
BDBM50391793 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(Cl)cc3)CC2)cc1
BDBM50391794 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C(F)(F)F)CC2)cc1
BDBM50391795 [O-][N+](=O)c1ccc(CCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM50391796 [O-][N+](=O)c1ccc(CCCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM50391760 CC(Cc1ccc(cc1)[N+]([O-])=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50391761 FC(F)(F)Oc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391762 O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12
BDBM50391763 CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O
BDBM50391764 CC(CN1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccc(cc1)[N+]([O-])=O
BDBM50391765 CCOc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
BDBM50391766 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cccc4C(=O)OCc34)CC2)cc1
BDBM50391767 CCOC(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM50391768 O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
BDBM50391769 O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)CC3)ccc12
BDBM50391770 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
BDBM290097 Cc1c(csc1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM50442610 Clc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
BDBM50442611 Fc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
BDBM50442612 Cc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
BDBM50442613 COc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442614 Fc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442615 Cc1cc2C(=O)OCc2cc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442616 COc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442617 Clc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442618 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2C2CC2)CC1
BDBM50442619 CCc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442620 FC(F)(F)c1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
BDBM50442621 O=C(Cc1ccc(cc1C1CC1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
BDBM50442622 Cc1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
BDBM50442623 CCc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
BDBM50442591 FC(F)(F)c1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
BDBM50442592 O=C(Cc1ccc(c(c1)C#N)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
BDBM50442593 COc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
BDBM50442594 Fc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
BDBM50442595 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
BDBM50442596 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)CCc3c2)CC1
BDBM50442597 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3COCc3c2)CC1
BDBM50442598 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)NCc3c2)CC1
BDBM50442599 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3COC(=O)c3c2)CC1
BDBM50442600 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
BDBM50442601 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3nonc3c2)CC1
BDBM50442602 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2cccc(c2)C#N)CC1
BDBM50442603 O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc(cc2)C#N)CC1
BDBM50442604 [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc1
BDBM50442605 [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc3C(=O)OCc3c2)cc1
BDBM50442606 [O-][N+](=O)c1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50442607 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-n3cnnn3)CC2)cc1
BDBM50442608 Fc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM50442609 Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
BDBM181750 C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181716 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC1)c1ccc(cn1)[N+]#[C-] |r|
BDBM181717 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc(nc1)-n1cnnn1 |r,THB:13:14:20.19.21:17.16|
BDBM181718 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1C1CCC2N1C(=O)c1ccc(nc1)-n1cnnn1 |r,TLB:21:22:14:16.17,20:19:14:16.17,13:14:23:21.20,THB:16:15:23:21.20,24:23:14:16.17,17:18:23:21.20|
BDBM181719 Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181720 Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1[C@H]2CC[C@@H]1CN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r,THB:12:15:20.21.36:17.18|
BDBM181733 C[C@@H]1Cc2cc(CCN3CCN(C[C@H](O)c4ccc5C(=O)OCc5c4C)CC3)ccc2C(=O)O1 |r|
BDBM181751 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181752 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181753 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3c(CCS3(=O)=O)c2)CC1 |r|
BDBM181754 COc1cc(ncc1C#N)C(O)CN1CCN(CC(O)c2ccc3C(=O)O[C@@H](C)Cc3c2)CC1 |r|
BDBM181761 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM181762 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM181721 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)-n1cnnn1 |r,THB:22:21:20.14.15:17.18|
BDBM181722 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCC1CN2S(=O)(=O)c1ccc(cc1)-n1cnnn1 |r|
BDBM181723 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:13:14:22:17.19.18|
BDBM181725 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2CC(O)c1ccc(cn1)[N+]#[C-] |r,TLB:13:14:22:17.19.18|
BDBM181726 C[C@@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12|
BDBM181735 C[C@@H]1Cc2cc(CCN3CCN(C[C@@H](O)c4ccc5C(=O)OCc5c4C)CC3)ccc2C(=O)O1 |r|
BDBM181737 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1 |r|
BDBM181739 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1 |r|
BDBM181741 CCc1c2COC(=O)c2ccc1C(O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
BDBM181756 C[C@@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,THB:14:15:23:18.20.19|
BDBM181757 C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CC1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,THB:14:15:23:18.20.19|
BDBM181758 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r|
BDBM181759 Cc1cc(ncc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
BDBM181760 Cc1nc(ccc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
BDBM181764 C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181765 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181766 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM181767 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3c(CCS3(=O)=O)c2)CC1 |r|
BDBM181768 COc1cc(ncc1C#N)C(O)CN1CCN(CC(O)c2ccc3C(=O)O[C@H](C)Cc3c2)CC1 |r|
BDBM181706 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C2(CCCC2)C1 |r|
BDBM181707 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C(C)(C)C1 |r|
BDBM181708 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C#N |r,TLB:21:20:17:14.15|
BDBM181710 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1C1CCC2N1CC(O)c1ccc(cn1)C#N |r,TLB:21:22:14:16.17,20:19:14:16.17,13:14:23:21.20,THB:16:15:23:21.20,17:18:23:21.20,24:23:14:16.17|
BDBM181712 Cc1nc(ccc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:19:20:12:14.15,18:17:12:14.15,11:12:21:19.18,THB:14:13:21:19.18,15:16:21:19.18,22:21:12:14.15|
BDBM181715 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1[C@H]2CC[C@@H]1CN(C2)c1ccc(cn1)[N+]#[C-] |r,THB:13:14:20.19.21:17.16|
BDBM181727 C[C@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12|
BDBM181728 C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,THB:14:15:23:18.20.19|
BDBM181743 OC(CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1)c1ccc2C(=O)OCc2c1C(F)(F)F
BDBM181744 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r|
BDBM181745 Cc1cc(ncc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
BDBM181746 Cc1nc(ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r|
BDBM181747 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM181748 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM181749 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM167404 C[C@H]1Cc2cc(CCN3CCN(CCc4ccc5C(=O)O[C@@H](C)Cc5c4)CC3)ccc2C(=O)O1 |r|
BDBM167405 Cc1c2COC(=O)c2ccc1CCN1CCN(CCc2ccc(C#N)c(F)c2Cl)CC1
BDBM167406 COc1cc(F)c(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1C#N
BDBM167407 CC(CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1ccc2C(=O)OCc2c1C
BDBM155928 COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM195012 CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3C3CC3)CC2)C1=O |t:1|
BDBM194980 CC1CC2(CC3CCC(C2)N3C[C@H](O)c2ccc3C(=O)OCc3c2C)C(=O)N1C1=CC(=O)OC1 |r,wD:12.14,t:33,TLB:2:3:6.7:10,11:10:6.7:9.4.3,(5.93,1.35,;5.06,.08,;3.52,.03,;3.09,-1.45,;1.39,-1.37,;.23,-.26,;.75,1.19,;1.13,-.04,;.51,-1.74,;1.69,-2.65,;-1.46,-1.13,;-2.79,-.36,;-4.13,-1.13,;-4.13,-2.67,;-5.46,-.36,;-5.46,1.18,;-6.79,1.95,;-8.13,1.18,;-9.59,1.66,;-10.36,2.99,;-10.5,.41,;-9.59,-.83,;-8.13,-.36,;-6.79,-1.13,;-6.79,-2.67,;4.36,-2.32,;3.23,1.13,;5.58,-1.37,;6.79,.09,;7.7,1.34,;9.16,.86,;10.5,1.63,;9.16,-.68,;7.7,-1.16,)|
BDBM195011 CCc1c2COC(=O)c2ccc1C(O)CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |c:27|
BDBM195017 CC1=C(COC1)N1CCC2(CCN(CC2)C(CO)Cc2ccc3C(=O)OCc3c2C)C1=O |t:1|
BDBM181711 COc1cc(ncc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:20:21:13:15.16,19:18:13:15.16,12:13:22:20.19,THB:15:14:22:20.19,16:17:22:20.19,23:22:13:15.16|
BDBM181730 COc1cc(ncc1[N+]#[C-])C(O)CN1C2COCC1CN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r,THB:21:20:13:15.17.16|
BDBM162872 Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
BDBM195013 CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3Cl)CC2)C1=O |t:1|
BDBM195014 CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3F)CC2)C1=O |t:1|
BDBM195018 CC1=C(COC1=O)N1CCC2(CCN(CC2)C(C)(C)C(O)c2ccc3C(=O)OCc3c2C)C1=O |t:1|
BDBM194981 CC1CC2(CC3CCC(C2)N3C[C@@H](O)c2ccc3C(=O)OCc3c2C)C(=O)N1C1=CC(=O)OC1 |r,wU:12.14,t:33,TLB:2:3:6.7:10,11:10:6.7:9.4.3,(5.93,1.35,;5.06,.08,;3.52,.03,;3.09,-1.45,;1.39,-1.37,;.23,-.26,;.75,1.19,;1.13,-.04,;.51,-1.74,;1.69,-2.65,;-1.46,-1.13,;-2.79,-.36,;-4.13,-1.13,;-4.13,-2.67,;-5.46,-.36,;-5.46,1.18,;-6.79,1.95,;-8.13,1.18,;-9.59,1.66,;-10.36,2.99,;-10.5,.41,;-9.59,-.83,;-8.13,-.36,;-6.79,-1.13,;-6.79,-2.67,;4.36,-2.32,;3.23,1.13,;5.58,-1.37,;6.79,.09,;7.7,1.34,;9.16,.86,;10.5,1.63,;9.16,-.68,;7.7,-1.16,)|
BDBM50116798 CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116830 [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1
BDBM50116831 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(c(cn2)C#N)C(F)(F)F)CC1 |r|
BDBM50116840 Cc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50121344 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r|
BDBM50121345 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r|
BDBM50121346 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(nn1)C#N |r|
BDBM50121348 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1cnc(cn1)C#N |r|
BDBM50121349 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ncc(cn1)C#N |r|
BDBM50121355 Cc1cc(cnc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
BDBM50121358 Cc1c2COC(=O)c2ccc1[C@@H](N)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r|
BDBM50121360 Cc1cc(cnc1N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2)C#N |r|
BDBM50121361 Cc1cc(ncc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
BDBM50121363 Cc1c2COC(=O)c2ccc1CCN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1
BDBM196078 CC(C(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)c1cnc(nc1)-n1cnnn1 |r|
BDBM195032 C[C@@H]([C@@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,c:27|
BDBM195033 CCC1CC2(CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:31|
BDBM196064 Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1
BDBM196103 Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1
BDBM196105 Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1
BDBM195912 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196058 Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1
BDBM194947 CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194948 CO[C@@H](CN1CCC2(C[C@H](C)N(C3=CC(=O)OC3)C2=O)CC1)c1ccc2C(=O)OCc2c1C |r,t:12|
BDBM194949 O=C1OCC(=C1)N1CCC2(CCN(CCc3ccc4C(=O)OCc4c3)CC2)C1=O |c:4|
BDBM194951 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23|
BDBM194952 CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:30|
BDBM194953 C[C@H]1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:30|
BDBM194954 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM50116827 COc1cc(CCN2CCN(CC(F)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
BDBM194955 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM194956 CC1=C(COC1=O)N1CCCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM194957 CO[C@@H](CN1CCC2(CCN(C2)C2=CC(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |r,t:13|
BDBM194958 CO[C@@H](CN1CCC2(CCN(C2=O)C2=CC(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,t:14|
BDBM194959 CO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
BDBM194960 CO[C@@H](CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |r,t:14|
BDBM194961 CO[C@@H](CN1CCC2(CN(C(=O)C2)C2=C(C)C(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
BDBM194962 CCC1=C(COC1=O)N1CCC2(CCN(C[C@H](OC)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:2|
BDBM194963 CO[C@@H](CN1CC2CCC(C1)CC1(CCN(C3=CC(=O)OC3)C1=O)C2)c1ccc2C(=O)OCc2c1C |r,t:17,TLB:22:12:7.8:5.10.4,THB:3:4:7.8:11.24.12|
BDBM194964 CC1=C(COC1=O)N1CCC2(CC3CCC(CN(C[C@H](O)c4ccc5C(=O)OCc5c4C)C3)C2)C1=O |r,t:1,TLB:34:10:13.14:32.16.17,18:17:13.14:33.11.10,THB:9:10:13.14:32.16.17|
BDBM194965 CO[C@@H](CN1C2CCC1CC1(CCN(C1=O)C1=C(C)C(=O)OC1)C2)c1ccc2C(=O)OCc2c1C |r,c:18,THB:11:10:6.7:4|
BDBM194966 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23|
BDBM194967 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(F)C(=O)OC2)CC1 |r,c:26|
BDBM194968 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:24|
BDBM194969 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)C2=CC(=O)OC2)CC1 |r,t:26|
BDBM194970 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26|
BDBM194971 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2O)C1=O |r,t:1|
BDBM194972 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2F)C1=O |r,t:1|
BDBM194973 CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1 |r,c:30|
BDBM194974 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(C3CC3)C(=O)OC2)CC1 |r,c:26|
BDBM194976 CC1CN(C(=O)C11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C1=C(C)C(=O)OC1 |r,c:30|
BDBM194977 CC1=C(COC1=O)N1CC(=O)C2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM194978 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3cc4COC(=O)c4cc3C)CC2)C1=O |r,t:1|
BDBM194979 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3cc4COC(=O)c4cc3C)CC2)C1=O |r,t:1|
BDBM50121359 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cc2)C#N)CC1 |r|
BDBM50121362 Cc1nc(ccc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
BDBM194982 CC1=C(COC1=O)N1C=CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:9,t:1|
BDBM194983 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)C=CN(C1=CC(=O)OC1)C2=O |r,c:23,t:26|
BDBM194984 CN1CC2CC3(CCN(C3=O)C3=C(C)C(=O)OC3)CC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,c:12,TLB:0:1:21:18.4.5,9:5:21:2.1.20,THB:6:5:21:2.1.20,22:21:2.1.20:18.4.5|
BDBM194985 CN1CC2CC3(CCN(C3=O)C3=C(C)C(=O)OC3)CC(C1)N2C[C@@H](O)c1ccc2C(=O)OCc2c1C |r,c:12,TLB:0:1:21:18.4.5,9:5:21:2.1.20,THB:6:5:21:2.1.20,22:21:2.1.20:18.4.5|
BDBM194986 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](F)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM194987 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](F)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
BDBM194988 CO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
BDBM194989 CCO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |r,c:15|
BDBM194990 CO[C@@H](CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1)c1ccc2C(=O)OCc2c1C |r,t:11|
BDBM194991 O=C1OCC(=C1)N1CCC2(CCN(CC3OCCc4c5COC(=O)c5ccc34)CC2)C1=O |c:4|
BDBM194992 C[C@H]([C@@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,c:27|
BDBM194993 CC1=C(COC1=O)N1CCC2(CCN(CC(NC3CC3)c3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194994 CC1=C(COC1=O)N1CCC2(CCN(CC(NCC(F)F)c3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194995 CC1=C(COC1=O)N1CCC2(CCN(CC(NC3CCC3)c3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194996 CC1=C(COC1=O)N1CCC2(CCN(CC(N3CCC3)c3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194997 COCCNC(CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |c:17|
BDBM194998 CC1=C(COC1=O)N1CCC2(CCN(CC(NCC[N+]#[C-])c3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
BDBM194999 CNC(CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C |c:14|
BDBM195004 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)C(=O)N(C1=CC(=O)OC1)c1ccccc21 |r,t:26|
BDBM195005 CCC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:31|
BDBM195006 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC(C3CC3)N(C3=CC(=O)OC3)C2=O)CC1 |r,t:27|
BDBM195007 CC1=C(COC1=O)N1C(CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O)C1CC1 |r,t:1|
BDBM195008 COCC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:3|
BDBM195009 CC1=CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:1,30|
BDBM195010 CC1=CN(C(=O)C11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C1=C(C)C(=O)OC1 |r,c:30,t:1|
BDBM195015 CC1=C(COC1=O)N1CCC2(CC3COCC(C2)N3C[C@H](O)c2ccc3C(=O)OCc3c2C)C1=O |r,t:1,TLB:9:10:18:13.15.14,19:18:13.15.14:17.11.10,THB:33:10:18:13.15.14|
BDBM195016 COC1CN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CCC11CCN(C2=C(C)C(=O)OC2)C1=O |r,c:28|
BDBM195022 C[C@@H]1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:30|
BDBM195023 CO[C@H](CN1CCC2(CCN(C2=O)C2=CC(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,t:14|
BDBM195024 CO[C@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
BDBM195025 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)CC2F)C1=O |r,t:1|
BDBM195026 CC1CC2(CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1 |r,c:30|
BDBM195027 CC1CN(C(=O)C11CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1)C1=C(C)C(=O)OC1 |r,c:30|
BDBM195030 C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,c:27|
BDBM195031 C[C@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,c:27|
BDBM50116829 COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
BDBM50116832 COc1cc(nc(C)c1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116833 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2ncc(cc2Cl)C#N)CC1 |r|
BDBM50116838 Cc1cc(cnc1C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C#N |r|
BDBM50116841 COc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116843 COc1cc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116848 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(cn2)C#N)CC1 |r|
BDBM195968 Cc1cc2C(=O)OCc2cc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195969 Cc1c(cncc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM195970 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1 |r|
BDBM195971 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1 |r|
BDBM195972 Cc1nc(ccc1CC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195973 Cc1nc(ccc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196067 Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1cnc(nc1)-n1cnnn1
BDBM196068 Cc1cc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C)c([N+]#[C-])c1F |r|
BDBM196069 Cc1cc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C)c([N+]#[C-])c1F |r|
BDBM195974 CC(C(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)c1ccc(nc1C)-n1cnnn1 |r|
BDBM195975 O=C(Cc1cnc(cn1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM195976 Fc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195977 Fc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195978 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1 |r|
BDBM195979 Cc1cc(cnc1CC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196070 O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM196071 Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196072 Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196073 O=C(Cc1ccc(cn1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM196074 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM196075 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
BDBM196076 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C2CC2)c1[N+]#[C-] |r|
BDBM195980 Cc1cc(cnc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195981 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cn2)-n2cnnn2)c(F)c1[N+]#[C-] |r|
BDBM195982 Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(F)c1[N+]#[C-] |r|
BDBM195983 Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(F)c1[N+]#[C-] |r|
BDBM195984 Cc1nc(ccc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1F)-n1cnnn1 |r|
BDBM195985 Cc1c(cccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM196077 C[C@@H]1Cc2cc(ccc2C(=O)O1)C1CN2CCN(CC2(C)CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196080 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196081 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM196082 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CS1(=O)=O)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195986 Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM195987 Cc1nc(ccc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1cccc([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195988 Cc1nc(ccc1CC(=O)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195989 Cc1nc(ccc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195990 COc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1C)-n1cnnn1 |r|
BDBM195991 Cc1nc(ccc1CC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1Cl)-n1cnnn1 |r|
BDBM196083 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C(F)(F)c1cnc(nc1)-n1cnnn1 |r|
BDBM196084 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196085 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196086 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM196087 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196088 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM195992 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(n1)-n1cnnn1 |r|
BDBM195993 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(n1)-n1cnnn1 |r|
BDBM195994 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccnc(c1)-n1cnnn1 |r|
BDBM195995 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccnc(c1)-n1cnnn1 |r|
BDBM195996 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cncc(c1)-n1cnnn1 |r|
BDBM195997 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196089 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196090 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM196091 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196092 Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196093 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Nc1ccc(nc1)-n1cnnn1 |r|
BDBM196094 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Nc1ccc(nc1)-n1cnnn1 |r|
BDBM195998 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1cccc(c1)-n1cnnn1 |r|
BDBM195999 Cc1c(cccc1-n1cnnn1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196000 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@]1(C)CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196001 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@]1(C)CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196002 Fc1cc(cc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196003 Fc1cc(cc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196095 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Nc1ccc(cn1)-n1cnnn1 |r|
BDBM196096 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Nc1ccc(cn1)-n1cnnn1 |r|
BDBM196097 Cc1cc(ncc1NC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C)-n1cnnn1 |r|
BDBM196098 Cc1cc(ncc1NC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c(C#N)c1C)-n1cnnn1 |r|
BDBM196099 Cc1cc(ncc1NC(=O)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C)-n1cnnn1 |r|
BDBM195909 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM195910 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195911 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM196004 Fc1cc(cc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196005 Fc1cc(cc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196006 COc1cc(cc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196007 COc1cc(cc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196008 COc1cc(cc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196009 COc1cc(cc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196101 Cc1nc(ccc1CC(=O)N1CCN2C[C@@H](OCC2C1)c1ccc2C(=O)OCCc2c1)-n1cnnn1 |r|
BDBM196106 Fc1ccc(C2CN3CCN(CC3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(F)c1[N+]#[C-]
BDBM195913 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM195914 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM195915 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(F)c1[N+]#[C-] |r|
BDBM195916 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM195917 Cc1c(cccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM196010 Fc1cc(cc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196011 Cc1c(cccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM196012 Cc1c(cccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-] |r|
BDBM196013 Cc1nc(ncc1CC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196014 Cc1nc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196015 Cc1nc(ncc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196109 Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1
BDBM196110 Cc1c(cccc1C1CN2CCN(CC2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1)C#N
BDBM196111 C[C@@H]1Cc2cc(ccc2C(=O)O1)C1CN2CCN(CC2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196112 C[C@H]1Cc2cc(ccc2C(=O)O1)C1CN2CCN(CC2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196113 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(CC2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195918 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195919 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195920 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195921 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195922 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
BDBM195923 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
BDBM195924 O=C(Cc1ccc(cn1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
BDBM196016 Cc1nc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196017 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196018 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1 |r|
BDBM196019 COc1cc(cnc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196020 Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2cnc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM196021 Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)Cc2cnc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM195925 O=C(Cc1ccc(cn1)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
BDBM195926 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195927 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195928 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195929 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195930 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196022 Cc1nc(CC(=O)N2CCN3C[C@@H](OC[C@@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ccc1-n1cnnn1 |r|
BDBM196023 Cc1nc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ccc1-n1cnnn1 |r|
BDBM196024 Cc1cc(CC(=O)N2CCN3C[C@H](OC[C@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ncc1-n1cnnn1 |r|
BDBM196025 Cc1cc(CC(=O)N2CCN3C[C@@H](OC[C@@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ncc1-n1cnnn1 |r|
BDBM196026 Cc1nc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ccc1-n1cnnn1 |r|
BDBM196027 Cc1nc(CC(=O)N2CCN3C[C@H](OC[C@H]3C2)c2ccc(F)c([N+]#[C-])c2C)ccc1-n1cnnn1 |r|
BDBM195931 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195932 Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195933 Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195934 COc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195935 COc1cc(ccc1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195936 COc1cc(ccc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196028 Cc1cc(CC(=O)N2CCN3C[C@H](OC[C@H]3C2)c2ccc(F)c([N+]#[C-])c2C)cnc1-n1cnnn1 |r|
BDBM196029 Cc1cc(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c([N+]#[C-])c2C)cnc1-n1cnnn1 |r|
BDBM196030 COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2cnc(nc2)-n2cnnn2)c(C)c1[N+]#[C-] |r|
BDBM196031 Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2cnc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM196032 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2cnc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM196033 Cc1nc(ncc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1Cl)-n1cnnn1 |r|
BDBM195937 Cc1cc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)-n1cnnn1 |r|
BDBM195938 Cc1cc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195939 Cc1cc(ncc1CC(=O)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1)-n1cnnn1 |r|
BDBM195940 COc1cc(ccc1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(cc1C)-n1cnnn1 |r|
BDBM195941 Clc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195942 Clc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196034 COc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196035 COc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196036 Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196037 Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196038 COc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM196039 COc1cc(ccc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM195943 Brc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195944 COc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C)c1[N+]#[C-] |r|
BDBM195945 COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C)c1[N+]#[C-] |r|
BDBM195946 Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM195947 Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cn2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM195948 Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cn2)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
BDBM196040 O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM196041 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(c(F)c1)-n1cnnn1 |r|
BDBM196042 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(c(F)c1)-n1cnnn1 |r|
BDBM196043 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(c(F)c1)-n1cnnn1 |r|
BDBM196044 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(c(F)c1)-n1cnnn1 |r|
BDBM196045 Cc1nc(nc(C)c1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195949 Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(cn2)-n2cnnn2)c(F)c1[N+]#[C-] |r|
BDBM195950 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM195951 COc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195952 COc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195953 Cc1cc(ncc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM195954 Cc1cc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196046 Cc1nc(nc(C)c1CC(=O)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196047 Cc1nc(nc(C)c1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196048 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ncc(cc1Cl)-n1cnnn1 |r|
BDBM196049 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ncc(cc1Cl)-n1cnnn1 |r|
BDBM196050 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nn1)-n1cnnn1 |r|
BDBM196051 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nn1)-n1cnnn1 |r|
BDBM50116795 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(cn2)C#N)CC1 |r|
BDBM50116796 Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116797 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(C3CC3)c(cn2)C#N)CC1 |r|
BDBM50116799 [2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116800 COc1cc(ncc1C#N)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
BDBM50116801 COc1cc(ncc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
BDBM50116820 COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
BDBM195955 COc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195956 COc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195957 COc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195958 COc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195959 Cc1c(ccc(Cl)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195960 Cc1c(ccc(Cl)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196052 CCc1cc(ncc1CC(=O)N1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1 |r|
BDBM196053 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1C(F)(F)F)-n1cnnn1 |r|
BDBM196054 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1C(F)(F)F)-n1cnnn1 |r|
BDBM196055 Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(n1)-n1cnnn1 |r|
BDBM196056 Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(n1)-n1cnnn1 |r|
BDBM196057 Cc1nnnn1-c1ccc(CC(=O)N2CCN3C[C@H](OC[C@@H]3C2)c2ccc(F)c([N+]#[C-])c2C)nc1 |r|
BDBM50116821 COc1cc(ccc1C#N)C(C)(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
BDBM50116822 COc1cc(ccc1C#N)C(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
BDBM50116823 COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
BDBM50116824 CCOC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C
BDBM50116825 COC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C
BDBM50116826 COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
BDBM50116828 COc1cc(CCN2CCN(CC(C)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
BDBM195961 Fc1cc(ccc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195962 Fc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195963 Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195964 Cc1c(csc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM195965 Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195966 Cc1c(csc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
BDBM195967 Cc1cc2C(=O)OCc2cc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196060 Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)Cc1cnc(nc1)-n1cnnn1
BDBM196061 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196062 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
BDBM196063 COc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1 |r|
BDBM50175025 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C1=O |r,t:1|
BDBM50175026 C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:32|
BDBM50175027 C[C@@H]1CC2(CCN(C[C@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:32|
BDBM50175028 C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:32|
BDBM50175030 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C1=O |r,t:1|
BDBM50175031 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4Cn5nnnc5-c4c3)C[C@H]2F)C1=O |r,t:1|
BDBM50175032 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4Cn5nnnc5-c4c3)C[C@@H]2F)C1=O |r,t:1|
BDBM50175033 CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3cc-4c(Cn5nnnc-45)cc3Cl)CC2)C1=O |r,t:1|
BDBM254091 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CC2CN(CC(O)c3ccc(cn3)C#N)C2C1 |r|
BDBM50163371 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
BDBM254093 COc1cc(ncc1C#N)C(O)CN1CC2CN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)C2C1 |r|
BDBM50175024 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3cc-4c(Cn5nnnc-45)cc3C)CC2)C1=O |r,t:1|
BDBM50175029 C[C@H]1CC2(CCN(C[C@H](O)c3ccc4Cn5nnnc5-c4c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:32|
BDBM50163353 Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
BDBM50175034 CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3cc-4c(Cn5nnnc-45)cc3Cl)CC2)C1=O |r,t:1|
BDBM50163359 CC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
BDBM50163360 Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
BDBM50163366 O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
BDBM254069 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(C1)CCCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2 |r|
BDBM254070 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
BDBM254071 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCN(CC2C1)C(=O)c1ccc(cn1)C#N |r|
BDBM254072 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C2C1 |r|
BDBM254073 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC11CCCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM254074 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C2)C1 |r|
BDBM254075 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC(O)c3ccc(cn3)C#N)CC12 |r|
BDBM254076 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC12)S(=O)(=O)c1ccc(cc1)C#N |r|
BDBM254077 O[C@@H](CN1CC2CCN(C2C1)S(=O)(=O)c1ccc(cc1)[N+]#[C-])c1ccc2C(=O)OCc2c1 |r|
BDBM254078 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN2C[C@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM254079 CC1CC2CN(CC(O)c3ccc(cn3)C#N)CC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM254080 CC1CC2CN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM254081 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C2)C(=O)c2ccc(nc2)-n2cnnn2)C1 |r|
BDBM254082 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(C1)CCCN(C2)C(=O)c1ccc(nc1)-n1cnnn1 |r|
BDBM254083 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCN(CC2C1)C(=O)c1ccc(nc1)-n1cnnn1 |r|
BDBM254084 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC12)C(=O)c1ccc(cn1)-n1cnnn1 |r|
BDBM254085 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC12)C(=O)c1ccc(nc1)-n1cnnn1 |r|
BDBM254086 Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCC11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM254087 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN2S(=O)(=O)c2ccc(cc2)-n2cnnn2)C1 |r|
BDBM254088 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC12)S(=O)(=O)c1ccc(cc1)-n1cnnn1 |r|
BDBM254089 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C2)C(=O)c2ccc(nc2)S(C)(=O)=O)C1 |r|
BDBM254090 Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CN(CC(O)c3ccc(cn3)C#N)C2C1 |r|
BDBM254092 COc1cc(ncc1C#N)C(O)CN1CC2CN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C2C1 |r|
BDBM254094 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CC2CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)C2C1 |r|
BDBM254095 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2CN(CC(O)c3ccc(cn3)C#N)CC12 |r|
BDBM254096 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2CN(CC12)S(=O)(=O)c1ccc(cc1)C#N |r|
BDBM254097 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2(CCCN2C[C@@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM254098 CC1CC2CN(CC(O)c3ccc(cn3)C#N)CC2N1C[C@@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM254099 CC1CC2CN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)CC2N1C[C@@H](O)c1ccc2C(=O)OCc2c1C |r|
BDBM254100 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCCC2(CCCN(C2)C(=O)c2ccc(nc2)-n2cnnn2)C1 |r|
BDBM254101 Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCC11CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)C1 |r|
BDBM254102 Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2(CCCN2S(=O)(=O)c2ccc(cc2)-n2cnnn2)C1 |r|
BDBM50204284 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204285 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
BDBM50204286 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r|
BDBM50204287 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204280 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r|
BDBM50204281 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50205689 Cc1c2COC(=O)c2ccc1CCN1CCc2nc(oc2C1)-c1ccc2C(=O)OCc2c1
BDBM50205690 Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-c1ccc(cc1F)C#N
BDBM50205691 Cc1cc(ccc1-c1ncc2CN(CCc3ccc4C(=O)OCc4c3C)CCc2n1)C#N
BDBM50205692 [H][C@@]12CC(CN1CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2)c1ccc2C(=O)O[C@H](C)Cc2c1 |r|
BDBM50205693 Cc1c2COC(=O)c2ccc1CCN1CCc2c(C1)cnn2-c1ccc2C(=O)OCc2c1
BDBM50205694 Cc1c2COC(=O)c2ccc1CCN1CCc2c(C1)cnn2-c1ccc(C#N)c(F)c1
BDBM50204274 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204272 [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
BDBM50204273 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204275 [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204276 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204277 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204278 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
BDBM50204279 [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204282 [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
BDBM50204283 [H][C@@]12CN[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C |r|
BDBM290059 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2ccc(cc2C1)-n1cnnn1 |r|
BDBM290076 Cc1c(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1 |r|
BDBM290039 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc2C(=O)OCc2c1 |r|
BDBM290051 Cc1c(ccc(Cl)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290072 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1 |r|
BDBM290047 COc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290027 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290062 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1 |r|
BDBM265485 C[C@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(cn1)-n1cnnn1 |r,wU:6.18,1.0,wD:3.2,c:10,(-.7,-3.78,;-1.47,-2.44,;-.7,-1.11,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;3.92,-1.11,;4.83,-2.36,;6.29,-1.88,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,;4.83,.13,;4.06,1.47,;3.15,.22,;1.61,.22,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,)|
BDBM265488 C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc-2c(Cn3nnnc-23)c1 |r,wU:6.18,wD:3.2,1.0,c:10,(-1.44,-2.43,;-1.84,-.95,;-.75,.14,;.74,-.25,;1.14,-1.74,;2.63,-2.14,;3.71,-1.05,;4.19,-2.52,;5.73,-2.52,;6.21,-1.05,;7.54,-.28,;8.02,1.18,;7.25,2.52,;9.56,1.18,;10.33,2.52,;10.03,-.28,;8.79,-1.19,;4.96,-.15,;5.36,1.34,;3.32,.44,;1.83,.83,;-3.32,-.55,;-3.72,.94,;-5.21,1.34,;-6.3,.25,;-5.9,-1.24,;-7.19,-2.08,;-8.39,-1.11,;-9.93,-1.03,;-10.33,.46,;-9.03,1.3,;-7.84,.33,;-4.41,-1.64,)|
BDBM265491 C[C@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc-2c(Cn3nnnc-23)c1 |r,wU:6.18,1.0,wD:3.2,c:10,(-1.44,-2.43,;-1.84,-.95,;-.75,.14,;.74,-.25,;1.14,-1.74,;2.63,-2.14,;3.71,-1.05,;4.19,-2.52,;5.73,-2.52,;6.21,-1.05,;7.54,-.28,;8.02,1.18,;7.25,2.52,;9.56,1.18,;10.33,2.52,;10.03,-.28,;8.79,-1.19,;4.96,-.15,;5.36,1.34,;3.32,.44,;1.83,.83,;-3.32,-.55,;-3.72,.94,;-5.21,1.34,;-6.3,.25,;-5.9,-1.24,;-7.19,-2.08,;-8.39,-1.11,;-9.93,-1.03,;-10.33,.46,;-9.03,1.3,;-7.84,.33,;-4.41,-1.64,)|
BDBM265494 C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(cn1)-n1cnnn1 |r,wU:6.18,wD:3.2,1.0,c:10,(-1.46,-2.43,;-1.86,-.95,;-.77,.14,;.72,-.25,;1.11,-1.74,;2.6,-2.14,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.54,1.34,;3.29,.44,;1.8,.83,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,)|
BDBM265497 CC1C[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,wD:6.9,t:29,(6.48,-3.18,;5.71,-1.85,;4.17,-1.85,;3.69,-.38,;2.6,-1.47,;1.11,-1.08,;.72,.41,;1.8,1.5,;3.29,1.1,;-.77,.81,;-1.86,-.28,;-3.35,.12,;-3.75,1.61,;-5.23,2.01,;-6.32,.92,;-5.92,-.57,;-4.44,-.97,;-7.81,1.32,;-9.06,.41,;-10.3,1.32,;-9.83,2.78,;-8.29,2.78,;4.94,.52,;4.54,2.01,;6.18,-.38,;7.52,.39,;7.99,1.85,;9.53,1.85,;10.3,3.18,;10.01,.39,;8.76,-.52,)|
BDBM266980 CN(Cc1ccc(cc1)-n1ncnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.47,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;3.92,-1.11,;4.83,-2.36,;6.29,-1.88,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,;4.83,.13,;4.06,1.47,;3.15,.22,;1.61,.22,)|
BDBM266981 C[C@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2ccc(nn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.25,1.0,wD:6.9,c:30,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,.22,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM266982 CN(Cc1ccc(cc1)-n1ncnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:14.15,17.31,c:23,(-1.23,1.63,;-.83,.14,;-1.92,-.95,;-3.41,-.55,;-3.81,.94,;-5.3,1.34,;-6.38,.25,;-5.99,-1.24,;-4.5,-1.64,;-7.87,.65,;-8.78,-.6,;-10.24,-.12,;-10.24,1.42,;-8.78,1.9,;.66,-.25,;1.74,.83,;3.23,.44,;3.63,-1.05,;4.11,-2.52,;5.65,-2.52,;6.12,-1.05,;7.46,-.28,;7.93,1.18,;7.16,2.52,;9.47,1.18,;10.24,2.52,;9.95,-.28,;8.7,-1.19,;4.88,-.15,;4.88,1.39,;2.54,-2.14,;1.05,-1.74,)|
BDBM266983 CN(Cc1ccc-2c(CCc3nnnn-23)c1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.26,wD:16.18,c:29,(-1.29,1.49,;-.89,0,;-1.98,-1.09,;-3.47,-.69,;-3.63,.84,;-5.04,1.47,;-6.28,.57,;-6.12,-.97,;-7.37,-1.87,;-8.77,-1.24,;-8.94,.29,;-10.18,1.19,;-9.71,2.66,;-8.17,2.66,;-7.69,1.19,;-4.71,-1.59,;.59,-.4,;.99,-1.88,;2.48,-2.28,;3.57,-1.19,;4.05,-2.66,;5.59,-2.66,;6.06,-1.19,;4.82,-.29,;4.82,1.25,;7.4,-.42,;7.87,1.04,;7.1,2.38,;9.41,1.04,;10.18,2.38,;9.89,-.42,;8.64,-1.33,;3.17,.3,;1.68,.69,)|
BDBM266984 CN(Cc1ccc(nn1)-n1ncnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.17,1.63,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-3.75,.94,;-5.23,1.34,;-6.32,.25,;-5.92,-1.24,;-4.44,-1.64,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;.72,-.25,;1.11,-1.74,;2.6,-2.14,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.94,1.39,;3.29,.44,;1.8,.83,)|
BDBM265500 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cc(C)c(nn2)-n2cnnn2)C1=O |r,wU:10.33,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-7.01,-2.33,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)|
BDBM265503 C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:1.0,wD:3.24,6.9,t:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265506 C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,wD:6.9,1.0,t:29,(6.48,-3.18,;5.71,-1.85,;4.17,-1.85,;3.69,-.38,;2.6,-1.47,;1.11,-1.08,;.72,.41,;1.8,1.5,;3.29,1.1,;-.77,.81,;-1.86,-.28,;-3.35,.12,;-4.44,-.97,;-5.92,-.57,;-6.32,.92,;-5.23,2.01,;-3.75,1.61,;-7.81,1.32,;-9.06,.41,;-10.3,1.32,;-9.83,2.78,;-8.29,2.78,;4.94,.52,;4.54,2.01,;6.18,-.38,;7.52,.39,;7.99,1.85,;9.53,1.85,;10.3,3.18,;10.01,.39,;8.76,-.52,)|
BDBM265509 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,1.0,wD:6.9,t:29,(6.48,-3.18,;5.71,-1.85,;4.17,-1.85,;3.69,-.38,;2.6,-1.47,;1.11,-1.08,;.72,.41,;1.8,1.5,;3.29,1.1,;-.77,.81,;-1.86,-.28,;-3.35,.12,;-4.44,-.97,;-5.92,-.57,;-6.32,.92,;-5.23,2.01,;-3.75,1.61,;-7.81,1.32,;-9.06,.41,;-10.3,1.32,;-9.83,2.78,;-8.29,2.78,;4.94,.52,;4.54,2.01,;6.18,-.38,;7.52,.38,;7.99,1.85,;9.53,1.85,;10.3,3.18,;10.01,.38,;8.76,-.52,)|
BDBM265511 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.24,1.0,wD:6.9,c:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM266985 CN(Cc1ccc(nn1)-n1ncnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:14.15,17.31,c:23,(-1.17,1.63,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-3.75,.94,;-5.23,1.34,;-6.32,.25,;-5.92,-1.24,;-4.44,-1.64,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;.72,-.25,;1.8,.83,;3.29,.44,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.94,1.39,;2.6,-2.14,;1.11,-1.74,)|
BDBM266986 CN(Cc1ccc(nn1)-n1cnnn1)[C@@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,14.15,wD:14.16,c:24,(-.94,-1.15,;-.94,.39,;-2.27,1.16,;-3.61,.39,;-3.61,-1.15,;-4.94,-1.92,;-6.28,-1.15,;-6.28,.39,;-4.94,1.16,;-7.61,-1.92,;-7.61,-3.46,;-9.07,-3.93,;-9.98,-2.69,;-9.07,-1.44,;.39,1.16,;-.7,2.25,;1.48,2.25,;2.97,1.85,;3.37,.37,;3.84,-1.1,;5.38,-1.1,;5.86,.37,;7.19,1.14,;7.67,2.6,;6.9,3.93,;9.21,2.6,;9.98,3.93,;9.69,1.14,;8.44,.23,;4.61,1.27,;4.61,2.81,;2.28,-.72,;.79,-.33,)|
BDBM266987 CN(Cc1ccc(nn1)-n1cnnn1)[C@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,14.16,wD:14.15,c:24,(-.94,-1.15,;-.94,.39,;-2.27,1.16,;-3.61,.39,;-3.61,-1.15,;-4.94,-1.92,;-6.28,-1.15,;-6.28,.39,;-4.94,1.16,;-7.61,-1.92,;-7.61,-3.46,;-9.07,-3.93,;-9.98,-2.69,;-9.07,-1.44,;.39,1.16,;-.7,2.25,;1.48,2.25,;2.97,1.85,;3.37,.37,;3.84,-1.1,;5.38,-1.1,;5.86,.37,;7.19,1.14,;7.67,2.6,;6.9,3.93,;9.21,2.6,;9.98,3.93,;9.69,1.14,;8.44,.23,;4.61,1.27,;4.61,2.81,;2.28,-.72,;.79,-.33,)|
BDBM266988 CN(Cc1ccc(nc1)-n1ncnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.17,1.63,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;.72,-.25,;1.11,-1.74,;2.6,-2.14,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.94,1.39,;3.29,.44,;1.8,.83,)|
BDBM266989 C[C@@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2ccc(nn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.25,wD:6.9,1.0,c:30,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,.22,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265513 C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.24,wD:6.9,1.0,c:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265516 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2ncnn2)C1=O |r,wU:10.32,13.17,t:1,(7.12,3.5,;7.89,2.17,;7.42,.7,;8.66,-.2,;9.91,.7,;9.43,2.17,;10.2,3.5,;6.08,-.07,;6.08,-1.61,;4.62,-2.08,;3.72,-.84,;2.95,.5,;1.41,.5,;.64,-.84,;1.41,-2.17,;2.95,-2.17,;-.9,-.84,;-1.67,-2.17,;-3.21,-2.17,;-3.98,-.84,;-5.52,-.84,;-6.29,-2.17,;-5.52,-3.5,;-3.98,-3.5,;-7.83,-2.17,;-8.74,-3.42,;-10.2,-2.94,;-10.2,-1.4,;-8.74,-.92,;4.62,.41,;3.85,1.74,)|
BDBM265519 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2ncnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)|
BDBM265522 CC1=C(COC1=O)N1CC[C@]2(CC[C@@](C)(CC2)NCc2ccc(nn2)-n2cnnn2)C1=O |r,wU:13.18,wD:10.10,13.14,t:1,(7.05,1.76,;7.82,.42,;6.92,-.82,;7.82,-2.07,;9.29,-1.59,;9.29,-.05,;10.62,.72,;5.43,-1.22,;4.53,-2.47,;3.06,-1.99,;3.06,-.45,;3.06,1.09,;1.73,1.86,;.39,1.09,;-.38,2.42,;.39,-.45,;1.73,-1.22,;-1.09,.69,;-2.18,1.78,;-3.67,1.38,;-4.07,-.11,;-5.56,-.51,;-6.64,.58,;-6.25,2.07,;-4.76,2.47,;-8.13,.18,;-8.61,-1.28,;-10.15,-1.28,;-10.62,.18,;-9.38,1.09,;4.53,.02,;5.3,1.36,)|
BDBM265524 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2cnnn2)C1=O |r,wD:13.17,10.32,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)|
BDBM266990 C[C@@H]1C[C@]2(CC[C@@H](CC2)N(C)Cc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wD:3.27,1.0,6.9,c:32,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.39,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.13,2.3,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.39,;7.56,.38,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.38,;8.81,-.52,)|
BDBM266991 C[C@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.27,1.0,wD:6.9,c:32,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.39,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.13,2.3,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.39,;7.56,.38,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.38,;8.81,-.52,)|
BDBM266992 CN(Cc1ccc-2c(Cn3nnnc-23)c1F)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wD:19.22,16.18,c:26,(-.66,2.07,;-.66,.53,;-1.99,-.24,;-3.33,.53,;-3.33,2.07,;-4.66,2.84,;-6,2.07,;-6,.53,;-7.46,.06,;-8.37,1.3,;-9.83,1.78,;-9.83,3.32,;-8.37,3.79,;-7.46,2.55,;-4.66,-.24,;-4.66,-1.78,;.67,-.24,;.67,-1.78,;2.01,-2.55,;3.34,-1.78,;3.34,-3.32,;4.8,-3.79,;5.71,-2.55,;7.04,-1.78,;7.52,-.31,;6.75,1.02,;9.06,-.31,;9.83,1.02,;9.54,-1.78,;8.29,-2.68,;4.8,-1.3,;5.57,.03,;3.34,-.24,;2.01,.53,)|
BDBM266993 CN(Cc1cc2Cn3nnnc3-c2cc1C)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.26,wD:16.18,c:29,(-1.13,1.63,;-.73,.14,;-1.82,-.95,;-3.3,-.55,;-4.33,-1.69,;-5.84,-1.37,;-7.09,-2.28,;-8.33,-1.37,;-9.87,-1.37,;-10.35,.09,;-9.1,1,;-7.86,.09,;-6.32,.09,;-5.29,1.24,;-3.78,.92,;-2.75,2.06,;.76,-.25,;1.16,-1.74,;2.65,-2.14,;3.74,-1.05,;4.21,-2.52,;5.75,-2.52,;6.23,-1.05,;4.98,-.15,;4.98,1.39,;7.56,-.28,;8.04,1.18,;7.27,2.52,;9.58,1.18,;10.35,2.52,;10.05,-.28,;8.81,-1.19,;3.34,.44,;1.85,.83,)|
BDBM266994 CN(C[C@H](O)c1ccc2C(=O)OCc2c1C)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.25,16.17,wD:3.3,c:28,(-1.49,.04,;-.72,-1.29,;-2.26,-1.29,;-3.6,-2.06,;-3.6,-3.6,;-4.93,-1.29,;-4.93,.25,;-6.27,1.02,;-7.6,.25,;-9.06,.73,;-9.83,2.06,;-9.97,-.52,;-9.06,-1.77,;-7.6,-1.29,;-6.27,-2.06,;-6.27,-3.6,;.82,-1.29,;1.59,.04,;3.13,.04,;3.9,-1.29,;4.8,-2.54,;6.27,-2.06,;6.27,-.52,;4.8,-.04,;4.03,1.29,;7.6,.25,;7.6,1.79,;6.27,2.56,;9.06,2.27,;9.83,3.6,;9.97,1.02,;9.06,-.23,;3.13,-2.62,;1.59,-2.62,)|
BDBM290117 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM265526 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2cnnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)|
BDBM265529 CC1=C(COC1=O)N1CCC2(CCC(CC2)NCc2ccc-3c(Cn4nnnc-34)c2C)C1=O |t:1,(7.25,2.82,;8.02,1.49,;7.54,.02,;8.79,-.88,;10.03,.02,;9.56,1.49,;10.33,2.82,;6.21,-.75,;5.73,-2.21,;4.19,-2.21,;3.71,-.75,;3.32,.74,;1.83,1.14,;.74,.05,;1.14,-1.44,;2.63,-1.84,;-.75,.45,;-1.84,-.64,;-3.32,-.24,;-3.72,1.24,;-5.21,1.64,;-6.3,.55,;-5.9,-.93,;-7.19,-1.77,;-8.39,-.8,;-9.93,-.72,;-10.33,.76,;-9.03,1.6,;-7.84,.63,;-4.41,-1.33,;-4.01,-2.82,;4.96,.16,;4.96,1.7,)|
BDBM265532 C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1cnc(cc1C)-n1cnnn1 |r,wU:6.18,wD:3.2,1.0,c:10,(-1.46,-2.13,;-1.86,-.64,;-.77,.45,;.72,.05,;1.11,-1.44,;2.6,-1.84,;3.69,-.75,;4.17,-2.21,;5.71,-2.21,;6.18,-.75,;7.52,.02,;7.99,1.49,;7.22,2.82,;9.53,1.49,;10.3,2.82,;10.01,.02,;8.76,-.88,;4.94,.16,;4.54,1.64,;3.29,.74,;1.8,1.14,;-3.35,-.24,;-3.75,1.24,;-5.23,1.64,;-6.32,.55,;-5.92,-.93,;-4.44,-1.33,;-4.04,-2.82,;-7.81,.95,;-9.06,.05,;-10.3,.95,;-9.83,2.42,;-8.29,2.42,)|
BDBM265535 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc3Cn4nnnc4-c3c2)C1=O |r,wU:10.34,wD:13.17,t:1,(5.69,1.69,;7.02,.92,;7.02,-.62,;8.49,-1.1,;9.39,.15,;8.49,1.39,;9.26,2.72,;5.69,-1.39,;5.69,-2.93,;4.22,-3.41,;3.32,-2.16,;2.55,-3.5,;1.01,-3.5,;.24,-2.16,;1.01,-.83,;2.55,-.83,;-1.3,-2.16,;-2.07,-.83,;-3.61,-.83,;-4.38,-2.16,;-5.92,-2.16,;-6.69,-.83,;-8.2,-.51,;-8.36,1.02,;-9.39,2.16,;-8.62,3.5,;-7.11,3.18,;-6.95,1.65,;-5.92,.5,;-4.38,.5,;4.22,-.92,;3.45,.41,)|
BDBM265538 CC1=C(COC1=O)N1CC[C@]2(CC[C@](C)(CC2)NCc2ccc(nn2)-n2cnnn2)C1=O |r,wU:10.33,13.14,wD:13.18,t:1,(6.96,3.66,;7.73,2.32,;7.25,.86,;8.5,-.05,;9.75,.86,;9.27,2.32,;10.04,3.66,;5.92,.09,;5.44,-1.37,;3.9,-1.37,;3.43,.09,;3.03,1.58,;1.54,1.98,;.45,.89,;-.64,1.98,;.85,-.6,;2.34,-1,;-.88,.12,;-2.21,.89,;-3.55,.12,;-3.55,-1.42,;-4.88,-2.19,;-6.21,-1.42,;-6.21,.12,;-4.88,.89,;-7.55,-2.19,;-8.02,-3.66,;-9.56,-3.66,;-10.04,-2.19,;-8.79,-1.29,;4.67,.99,;4.67,2.53,)|
BDBM266995 CN(C[C@H](O)c1ccc2C(=O)OCc2c1C)C1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:3.3,c:28,(-1.61,-2.93,;-1.61,-1.39,;-2.94,-.62,;-4.27,-1.39,;-4.27,-2.93,;-5.61,-.62,;-5.61,.92,;-6.94,1.69,;-8.27,.92,;-9.74,1.39,;-9.74,2.93,;-10.64,.15,;-9.74,-1.1,;-8.27,-.62,;-6.94,-1.39,;-6.94,-2.93,;-.07,-1.39,;1.02,-2.48,;2.51,-2.08,;2.91,-.6,;3.38,-2.06,;4.92,-2.06,;5.4,-.6,;4.15,.31,;4.15,1.85,;6.94,-.6,;7.85,.65,;7.08,1.98,;9.31,.17,;10.64,.94,;9.31,-1.37,;7.85,-1.84,;1.82,.49,;.33,.09,)|
BDBM266996 CN(Cc1ncc(nc1C)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,wD:15.16,c:24,(-1.14,1.63,;-.74,.14,;-1.83,-.95,;-3.32,-.55,;-4.35,-1.69,;-5.86,-1.37,;-6.33,.09,;-5.3,1.24,;-3.8,.92,;-2.77,2.06,;-7.84,.41,;-9.08,-.49,;-10.33,.41,;-9.85,1.88,;-8.31,1.88,;.74,-.25,;1.14,-1.74,;2.63,-2.14,;3.72,-1.05,;4.2,-2.52,;5.74,-2.52,;6.21,-1.05,;7.54,-.28,;8.02,1.18,;7.25,2.52,;9.56,1.18,;10.33,2.52,;10.04,-.28,;8.79,-1.19,;4.97,-.15,;4.97,1.39,;3.32,.44,;1.83,.83,)|
BDBM266997 CN(Cc1cnc(s1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:16.22,wD:13.14,c:25,(-2.25,.58,;-1.85,-.91,;-2.94,-2,;-4.42,-1.6,;-5.67,-2.5,;-6.92,-1.6,;-6.44,-.13,;-4.9,-.13,;-7.21,1.2,;-8.75,1.2,;-9.23,2.66,;-7.98,3.57,;-6.73,2.66,;-.36,-1.31,;.04,-2.79,;1.53,-3.19,;2.61,-2.1,;3.09,-3.57,;4.63,-3.57,;5.11,-2.1,;3.86,-1.2,;3.86,.34,;6.44,-1.33,;6.92,.13,;6.15,1.46,;8.46,.13,;9.23,1.46,;8.93,-1.33,;7.69,-2.24,;2.22,-.62,;.73,-.22,)|
BDBM266998 CN(Cc1cnc(cn1)-n1cnnn1)[C@@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,14.15,wD:14.16,c:24,(-.65,-.52,;-.65,-2.06,;-1.98,-2.83,;-3.32,-2.06,;-3.32,-.52,;-4.65,.25,;-5.99,-.52,;-5.99,-2.06,;-4.65,-2.83,;-7.32,.25,;-8.78,-.22,;-9.69,1.02,;-8.78,2.27,;-7.32,1.79,;.89,-2.06,;.12,-3.39,;1.66,-.72,;3.2,-.72,;3.97,-2.06,;4.87,-3.3,;6.34,-2.83,;6.34,-1.29,;7.67,-.52,;7.2,.95,;5.86,1.72,;8.44,1.85,;8.44,3.39,;9.69,.95,;9.21,-.52,;4.87,-.81,;4.1,.52,;3.2,-3.39,;1.66,-3.39,)|
BDBM265547 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(CCc4nnnn-34)c2)C1=O |r,wU:10.35,wD:13.17,t:1,(7.21,2.52,;7.98,1.18,;7.5,-.28,;8.75,-1.19,;9.99,-.28,;9.52,1.18,;10.29,2.52,;6.17,-1.05,;5.69,-2.52,;4.15,-2.52,;3.68,-1.05,;2.59,-2.14,;1.1,-1.74,;.7,-.25,;1.79,.83,;3.28,.44,;-.79,.14,;-1.88,-.95,;-3.36,-.55,;-3.76,.94,;-5.25,1.34,;-6.34,.25,;-5.94,-1.24,;-7.03,-2.33,;-8.52,-1.93,;-8.91,-.44,;-10.29,.26,;-10.05,1.78,;-8.53,2.02,;-7.83,.65,;-4.45,-1.64,;4.92,-.15,;4.92,1.39,)|
BDBM265550 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cnc-3c(Cn4nnnc-34)c2)C1=O |r,wU:10.34,wD:13.17,t:1,(7.31,2.52,;8.08,1.18,;7.61,-.28,;8.85,-1.19,;10.1,-.28,;9.62,1.18,;10.39,2.52,;6.27,-1.05,;5.8,-2.52,;4.26,-2.52,;3.78,-1.05,;2.69,-2.14,;1.2,-1.74,;.81,-.25,;1.89,.83,;3.38,.44,;-.68,.14,;-1.77,-.95,;-3.26,-.55,;-3.66,.94,;-5.14,1.34,;-6.29,.3,;-5.84,-1.24,;-7.13,-2.08,;-8.37,-1.17,;-9.91,-1.17,;-10.39,.29,;-9.15,1.2,;-7.83,.29,;-4.35,-1.64,;5.03,-.15,;5.03,1.39,)|
BDBM265553 CC1c2cc(CN[C@H]3CC[C@@]4(CCN(C5=C(C)C(=O)OC5)C4=O)CC3)ccc2-c2nnnn12 |r,wU:10.22,wD:7.6,c:14,(-7.47,-3.01,;-7.07,-1.52,;-5.83,-.61,;-4.4,-1.14,;-3.31,-.05,;-1.82,-.45,;-.73,.64,;.76,.24,;1.16,-1.25,;2.64,-1.65,;3.73,-.56,;4.21,-2.02,;5.75,-2.02,;6.22,-.56,;7.56,.21,;8.03,1.68,;7.26,3.01,;9.57,1.68,;10.34,3.01,;10.05,.21,;8.8,-.69,;4.98,.35,;4.98,1.89,;3.33,.93,;1.85,1.33,;-3.7,1.44,;-5.19,1.83,;-6.2,.85,;-7.74,.84,;-9.1,1.74,;-10.34,.83,;-9.86,-.63,;-8.32,-.62,)|
BDBM267000 CN(Cc1cnc(cn1)-n1cnnn1)[C@]1(C)CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,14.16,wD:14.15,c:24,(-.55,.25,;-.55,-1.29,;-1.88,-2.06,;-3.21,-1.29,;-3.21,.25,;-4.55,1.02,;-5.88,.25,;-5.88,-1.29,;-4.55,-2.06,;-7.22,1.02,;-8.68,.55,;-9.59,1.79,;-8.68,3.04,;-7.22,2.56,;.79,-2.06,;-.55,-2.83,;1.56,-.72,;3.1,-.72,;3.87,-2.06,;4.77,-3.3,;6.24,-2.83,;6.24,-1.29,;7.57,-.52,;7.09,.95,;5.76,1.72,;8.34,1.85,;8.34,3.39,;9.59,.95,;9.11,-.52,;4.77,-.81,;4,.52,;3.1,-3.39,;1.56,-3.39,)|
BDBM267001 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)N(CCO)Cc2ccc(nc2)-n2cnnn2)C1=O |r,wU:10.35,wD:13.17,t:1,(7.11,2.2,;7.88,.87,;7.4,-.6,;8.65,-1.5,;9.89,-.6,;9.42,.87,;10.19,2.2,;5.86,-.6,;5.38,-2.06,;3.84,-2.06,;3.37,-.6,;2.97,-2.08,;1.48,-2.48,;.39,-1.39,;.79,.09,;2.28,.49,;-1.09,-1.79,;-2.18,-.7,;-3.67,-1.1,;-4.76,-.01,;-1.49,-3.28,;-2.98,-3.68,;-3.3,-5.18,;-4.77,-5.66,;-5.91,-4.63,;-5.59,-3.12,;-4.13,-2.65,;-7.38,-5.11,;-7.85,-6.57,;-9.39,-6.57,;-9.87,-5.11,;-8.62,-4.2,;4.61,.31,;4.61,1.85,)|
BDBM267002 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)N(CCO)Cc2ccc(nc2)-n2cnnn2)C1=O |r,wU:10.35,13.17,t:1,(7.11,2.2,;7.88,.87,;7.4,-.6,;8.65,-1.5,;9.89,-.6,;9.42,.87,;10.19,2.2,;5.86,-.6,;5.38,-2.06,;3.84,-2.06,;3.37,-.6,;2.28,.49,;.79,.09,;.39,-1.39,;1.48,-2.48,;2.97,-2.08,;-1.09,-1.79,;-2.18,-.7,;-3.67,-1.1,;-4.76,-.01,;-1.49,-3.28,;-2.98,-3.68,;-3.3,-5.18,;-4.77,-5.66,;-5.91,-4.63,;-5.59,-3.12,;-4.13,-2.65,;-7.38,-5.11,;-7.85,-6.57,;-9.39,-6.57,;-9.87,-5.11,;-8.62,-4.2,;4.61,.31,;4.61,1.85,)|
BDBM267003 CCCN(C[C@H](O)c1ccc2C(=O)OCc2c1C)[C@H]1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:18.19,5.5,c:30,(-3.3,-5.18,;-2.98,-3.68,;-1.49,-3.28,;-1.09,-1.79,;-2.18,-.7,;-3.67,-1.1,;-4.07,-2.59,;-4.76,-.01,;-4.44,1.49,;-5.58,2.52,;-7.05,2.05,;-8.38,2.82,;-8.54,4.35,;-9.53,1.79,;-8.9,.38,;-7.37,.54,;-6.22,-.49,;-6.55,-1.99,;.39,-1.39,;1.48,-2.48,;2.97,-2.08,;3.37,-.6,;3.84,-2.06,;5.38,-2.06,;5.86,-.6,;4.61,.31,;4.61,1.85,;7.4,-.6,;7.88,.87,;7.11,2.2,;9.42,.87,;10.19,2.2,;9.89,-.6,;8.65,-1.5,;2.28,.49,;.79,.09,)|
BDBM267004 CCN(Cc1ccc-2c(Cn3nnnc-23)c1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.26,wD:16.18,c:29,(-.04,2.62,;-1.13,1.53,;-.73,.04,;-1.82,-1.05,;-3.3,-.65,;-3.78,.82,;-5.29,1.14,;-6.32,-.01,;-5.84,-1.47,;-7.09,-2.38,;-8.33,-1.47,;-9.87,-1.47,;-10.35,-.01,;-9.1,.9,;-7.86,-.01,;-4.33,-1.79,;.76,-.36,;1.16,-1.84,;2.65,-2.24,;3.74,-1.15,;4.21,-2.62,;5.75,-2.62,;6.23,-1.15,;4.98,-.25,;4.98,1.29,;7.56,-.38,;8.04,1.08,;7.27,2.41,;9.58,1.08,;10.35,2.41,;10.05,-.38,;8.81,-1.29,;3.34,.33,;1.85,.73,)|
BDBM265556 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2C)C1=O |r,wU:10.35,wD:13.17,t:1,(7.25,2.82,;8.02,1.49,;7.54,.02,;8.79,-.88,;10.03,.02,;9.56,1.49,;10.33,2.82,;6.21,-.75,;5.73,-2.21,;4.19,-2.21,;3.71,-.75,;2.63,-1.84,;1.14,-1.44,;.74,.05,;1.83,1.14,;3.32,.74,;-.75,.45,;-1.84,-.64,;-3.32,-.24,;-3.72,1.24,;-5.21,1.64,;-6.3,.55,;-5.9,-.93,;-7.19,-1.77,;-8.39,-.8,;-9.93,-.72,;-10.33,.76,;-9.03,1.6,;-7.84,.63,;-4.41,-1.33,;-4.01,-2.82,;4.96,.16,;4.56,1.64,)|
BDBM265559 C[C@@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wD:3.26,6.9,1.0,c:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM265562 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.26,1.0,wD:6.9,c:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM265565 C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:1.0,wD:3.24,6.9,c:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265568 C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:1.0,wD:3.26,6.9,c:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM267005 CCN(Cc1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:15.16,wD:18.20,c:24,(.61,2.31,;-.73,1.54,;-.73,,;-2.06,-.77,;-3.39,,;-4.73,-.77,;-6.06,,;-6.06,1.54,;-4.73,2.31,;-3.39,1.54,;-7.39,2.31,;-8.86,1.83,;-9.76,3.08,;-8.86,4.33,;-7.39,3.85,;.61,-.77,;1.94,,;3.27,-.77,;3.27,-2.31,;3.27,-3.85,;4.74,-4.33,;5.64,-3.08,;6.98,-2.31,;7.45,-.85,;6.68,.49,;8.99,-.85,;9.76,.49,;9.47,-2.31,;8.22,-3.22,;4.74,-1.83,;5.51,-.5,;1.94,-3.08,;.61,-2.31,)|
BDBM267006 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)N(Cc2ncco2)Cc2ccc(nn2)-n2cnnn2)C1=O |r,wU:10.39,wD:13.17,t:1,(6.29,2.67,;7.63,1.9,;7.63,.36,;9.09,-.12,;10,1.13,;9.09,2.37,;9.86,3.7,;6.29,-.41,;6.29,-1.95,;4.83,-2.43,;3.92,-1.18,;3.15,-2.52,;1.61,-2.52,;.84,-1.18,;1.61,.15,;3.15,.15,;-.7,-1.18,;-1.47,.15,;-.7,1.48,;-1.17,2.95,;.07,3.85,;1.32,2.95,;.84,1.48,;-1.47,-2.52,;-3.01,-2.52,;-3.78,-3.85,;-5.32,-3.85,;-6.09,-2.52,;-5.32,-1.18,;-3.78,-1.18,;-7.63,-2.52,;-8.53,-3.76,;-10,-3.29,;-10,-1.75,;-8.53,-1.27,;4.83,.06,;4.06,1.39,)|
BDBM267007 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)N(CCO)Cc2ccc(cn2)-n2cnnn2)C1=O |r,wU:13.17,wD:10.10,t:1,(6.68,.49,;7.45,-.85,;6.98,-2.31,;8.22,-3.22,;9.47,-2.31,;8.99,-.85,;9.76,.49,;5.64,-3.08,;4.74,-4.33,;3.27,-3.85,;3.27,-2.31,;3.27,-.77,;1.94,,;.61,-.77,;.61,-2.31,;1.94,-3.08,;-.73,,;-.73,1.54,;.61,2.31,;1.94,1.54,;-2.06,-.77,;-3.39,,;-4.73,-.77,;-6.06,,;-6.06,1.54,;-4.73,2.31,;-3.39,1.54,;-7.39,2.31,;-8.86,1.83,;-9.76,3.08,;-8.86,4.33,;-7.39,3.85,;4.74,-1.83,;5.51,-.5,)|
BDBM267008 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)N(CCO)Cc2ccc(nn2)-n2cnnn2)C1=O |r,wU:10.35,wD:13.17,t:1,(6.29,2.74,;7.63,1.97,;7.63,.43,;9.09,-.05,;10,1.2,;9.09,2.44,;9.86,3.78,;6.29,-.34,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,.22,;-.7,1.56,;-1.47,2.89,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,)|
BDBM267009 CCN(Cc1ccc(cn1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:15.16,wD:18.20,c:24,(.15,2.31,;-1.18,1.54,;-1.18,,;-2.52,-.77,;-3.85,,;-5.19,-.77,;-6.52,,;-6.52,1.54,;-5.19,2.31,;-3.85,1.54,;-7.85,2.31,;-9.32,1.83,;-10.22,3.08,;-9.32,4.33,;-7.85,3.85,;.15,-.77,;1.48,,;2.82,-.77,;2.82,-2.31,;2.82,-3.85,;4.28,-4.33,;5.19,-3.08,;6.52,-2.31,;7.42,-1.06,;6.65,.27,;8.89,-1.54,;10.22,-.77,;8.89,-3.08,;7.42,-3.56,;4.28,-1.83,;5.05,-.5,;1.48,-3.08,;.15,-2.31,)|
BDBM265571 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2F)C1=O |r,wU:10.35,wD:13.17,t:1,(7.25,2.82,;8.02,1.49,;7.54,.02,;8.79,-.88,;10.03,.02,;9.56,1.49,;10.33,2.82,;6.21,-.75,;5.73,-2.21,;4.19,-2.21,;3.71,-.75,;2.63,-1.84,;1.14,-1.44,;.74,.05,;1.83,1.14,;3.32,.74,;-.75,.45,;-1.84,-.64,;-3.32,-.24,;-3.72,1.24,;-5.21,1.64,;-6.3,.55,;-5.9,-.93,;-7.19,-1.77,;-8.39,-.8,;-9.93,-.72,;-10.33,.76,;-9.03,1.6,;-7.84,.63,;-4.41,-1.33,;-4.01,-2.82,;4.96,.16,;5.36,1.64,)|
BDBM265574 C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.26,wD:6.9,1.0,c:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;7.27,3.18,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM265577 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cc3Cn4nnnc4-c3cc2C)C1=O |r,wD:13.17,10.10,t:1,(6.8,.43,;7.57,-.9,;6.66,-2.15,;7.57,-3.4,;9.03,-2.92,;9.03,-1.38,;10.37,-.61,;5.17,-2.55,;4.27,-3.79,;2.8,-3.32,;2.8,-1.78,;1.47,-2.55,;.14,-1.78,;.14,-.24,;1.47,.53,;2.8,-.24,;-1.2,.53,;-2.53,-.24,;-3.86,.53,;-5.2,-.24,;-6.53,.53,;-8,.06,;-8.9,1.3,;-10.37,1.78,;-10.37,3.32,;-8.9,3.79,;-8,2.55,;-6.53,2.07,;-5.2,2.84,;-3.86,2.07,;-2.53,2.84,;4.27,-1.3,;5.04,.03,)|
BDBM265580 C[C@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1 |r,wU:1.0,wD:3.26,6.9,t:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM265583 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.26,1.0,wD:6.9,t:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM267010 CN(C)C(=O)CN(Cc1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:19.20,wD:22.24,c:28,(-1.18,4.47,;.15,3.7,;1.48,4.47,;.15,2.16,;1.48,1.39,;-1.18,1.39,;-1.18,-.15,;-2.52,-.92,;-3.85,-.15,;-5.19,-.92,;-6.52,-.15,;-6.52,1.39,;-5.19,2.16,;-3.85,1.39,;-7.85,2.16,;-9.32,1.69,;-10.22,2.93,;-9.32,4.18,;-7.85,3.7,;.15,-.92,;1.48,-.15,;2.82,-.92,;2.82,-2.46,;2.82,-4,;4.28,-4.47,;5.19,-3.23,;6.52,-2.46,;7.42,-1.21,;6.65,.12,;8.89,-1.69,;10.22,-.92,;8.89,-3.23,;7.42,-3.7,;4.28,-1.98,;5.05,-.65,;1.48,-3.23,;.15,-2.46,)|
BDBM267011 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)N(CC(N)=O)Cc2ccc(nc2)-n2cnnn2)C1=O |r,wU:13.17,wD:10.10,t:1,(6.65,.27,;7.42,-1.06,;6.52,-2.31,;7.42,-3.56,;8.89,-3.08,;8.89,-1.54,;10.22,-.77,;5.19,-3.08,;4.28,-4.33,;2.82,-3.85,;2.82,-2.31,;2.82,-.77,;1.48,,;.15,-.77,;.15,-2.31,;1.48,-3.08,;-1.18,,;-1.18,1.54,;.15,2.31,;.15,3.85,;1.48,1.54,;-2.52,-.77,;-3.85,,;-5.19,-.77,;-6.52,,;-6.52,1.54,;-5.19,2.31,;-3.85,1.54,;-7.85,2.31,;-9.32,1.83,;-10.22,3.08,;-9.32,4.33,;-7.85,3.85,;4.28,-1.83,;5.05,-.5,)|
BDBM267013 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)N(CC(N)=O)Cc2ccc(nc2)-n2cnnn2)C1=O |r,wD:10.10,13.17,t:1,(6.65,.27,;7.42,-1.06,;6.52,-2.31,;7.42,-3.56,;8.89,-3.08,;8.89,-1.54,;10.22,-.77,;5.19,-3.08,;4.28,-4.33,;2.82,-3.85,;2.82,-2.31,;1.48,-3.08,;.15,-2.31,;.15,-.77,;1.48,,;2.82,-.77,;-1.18,,;-1.18,1.54,;.15,2.31,;.15,3.85,;1.48,1.54,;-2.52,-.77,;-3.85,,;-5.19,-.77,;-6.52,,;-6.52,1.54,;-5.19,2.31,;-3.85,1.54,;-7.85,2.31,;-9.32,1.83,;-10.22,3.08,;-9.32,4.33,;-7.85,3.85,;4.28,-1.83,;5.05,-.5,)|
BDBM267014 CCN(Cc1ccc2C(=O)OCc2c1C)C1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |c:27,(-.52,2.8,;-1.85,2.03,;-1.85,.49,;-3.19,-.28,;-4.52,.49,;-4.52,2.03,;-5.85,2.8,;-7.19,2.03,;-8.65,2.5,;-9.42,3.84,;-9.56,1.26,;-8.65,.01,;-7.19,.49,;-5.85,-.28,;-5.85,-1.82,;-.52,-.28,;-.52,-1.82,;.82,-2.59,;2.15,-1.82,;2.15,-3.36,;3.61,-3.84,;4.52,-2.59,;3.61,-1.35,;4.38,-.01,;5.85,-1.82,;6.76,-.58,;5.99,.76,;8.22,-1.05,;9.56,-.28,;8.22,-2.59,;6.76,-3.07,;2.15,-.28,;.82,.49,)|
BDBM265586 C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.24,wD:6.9,1.0,c:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265589 C[C@@H]1C[C@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2)C(=O)N1C1=CC(=O)OC1 |r,wD:3.26,6.9,1.0,t:31,(6.52,-3.18,;5.75,-1.85,;4.21,-1.85,;3.74,-.38,;2.65,-1.47,;1.16,-1.08,;.76,.41,;1.85,1.5,;3.34,1.1,;-.73,.81,;-1.82,-.28,;-3.3,.12,;-3.78,1.58,;-5.29,1.91,;-6.32,.76,;-5.84,-.7,;-7.09,-1.61,;-8.33,-.7,;-9.87,-.7,;-10.35,.76,;-9.1,1.67,;-7.86,.76,;-4.33,-1.02,;4.98,.52,;4.98,2.06,;6.23,-.38,;7.56,.39,;8.04,1.85,;9.58,1.85,;10.35,3.18,;10.05,.39,;8.81,-.52,)|
BDBM265592 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,1.0,wD:6.9,t:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM265595 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2cnc(s2)-n2cnnn2)C1=O |r,wU:10.31,wD:13.17,t:1,(5.78,2.3,;7.12,1.53,;7.12,-.01,;8.58,-.49,;9.49,.76,;8.58,2,;9.35,3.34,;5.78,-.78,;5.78,-2.32,;4.32,-2.8,;3.41,-1.55,;2.64,-2.89,;1.1,-2.89,;.33,-1.55,;1.1,-.22,;2.64,-.22,;-1.15,-1.15,;-1.93,-2.49,;-3.41,-2.09,;-4.32,-3.34,;-5.78,-2.86,;-5.78,-1.32,;-4.32,-.84,;-7.12,-.55,;-8.58,-1.03,;-9.49,.22,;-8.58,1.47,;-7.12,.99,;4.32,-.31,;3.55,1.03,)|
BDBM265598 CC1=C(COC1=O)N1CC[C@]2(CC[C@@](C)(CC2)NCc2cnc(cn2)-n2cnnn2)C1=O |r,wU:10.33,13.18,wD:13.14,t:1,(5.62,2,;6.95,1.23,;7.43,-.24,;8.97,-.24,;9.44,1.23,;8.2,2.13,;8.2,3.67,;6.66,-1.57,;6.66,-3.11,;5.19,-3.59,;4.29,-2.34,;3.52,-1.01,;1.98,-1.01,;1.21,-2.34,;.44,-3.67,;1.98,-3.67,;3.52,-3.67,;-.28,-1.94,;-1.62,-2.71,;-2.95,-1.94,;-2.95,-.4,;-4.28,.37,;-5.62,-.4,;-5.62,-1.94,;-4.28,-2.71,;-6.95,.37,;-8.2,-.54,;-9.44,.37,;-8.97,1.83,;-7.43,1.83,;5.19,-1.09,;4.42,.24,)|
BDBM290115 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM265601 CC1=C(COC1=O)N1CC[C@]2(CC[C@](C)(CC2)NCc2cnc(cn2)-n2cnnn2)C1=O |r,wU:10.33,13.14,wD:13.18,t:1,(5.62,2,;6.95,1.23,;7.43,-.24,;8.97,-.24,;9.44,1.23,;8.2,2.13,;8.2,3.67,;6.66,-1.57,;6.66,-3.11,;5.19,-3.59,;4.29,-2.34,;3.52,-1.01,;1.98,-1.01,;1.21,-2.34,;.44,-3.67,;1.98,-3.67,;3.52,-3.67,;-.28,-1.94,;-1.62,-2.71,;-2.95,-1.94,;-2.95,-.4,;-4.28,.37,;-5.62,-.4,;-5.62,-1.94,;-4.28,-2.71,;-6.95,.37,;-8.2,-.54,;-9.44,.37,;-8.97,1.83,;-7.43,1.83,;5.19,-1.09,;4.42,.24,)|
BDBM265604 C[C@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(s2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.23,1.0,wD:6.9,t:28,(7.12,-3.09,;5.78,-2.32,;4.32,-2.8,;3.41,-1.55,;2.64,-2.89,;1.1,-2.89,;.33,-1.55,;1.1,-.22,;2.64,-.22,;-1.15,-1.15,;-1.93,-2.49,;-3.41,-2.09,;-4.32,-3.34,;-5.78,-2.86,;-5.78,-1.32,;-4.32,-.84,;-7.12,-.55,;-8.58,-1.03,;-9.49,.22,;-8.58,1.47,;-7.12,.99,;4.32,-.31,;3.55,1.03,;5.78,-.78,;7.12,-.01,;7.12,1.53,;8.58,2,;9.35,3.34,;9.49,.76,;8.58,-.49,)|
BDBM265607 C[C@@H]1C[C@@]2(CC[C@@H](CC2)NCc2cnc(s2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.23,wD:6.9,1.0,t:28,(5.61,-4.24,;4.84,-2.9,;3.3,-2.9,;2.82,-1.44,;1.73,-2.53,;.25,-2.13,;-.15,-.64,;.94,.45,;2.42,.05,;-1.64,-.24,;-2.73,-1.33,;-4.22,-.93,;-5.46,-1.84,;-6.71,-.93,;-6.23,.53,;-4.69,.53,;-7,1.87,;-8.54,1.87,;-9.02,3.33,;-7.77,4.24,;-6.53,3.33,;4.07,-.53,;3.67,.96,;5.31,-1.44,;6.65,-.67,;6.65,.87,;8.11,1.35,;8.88,2.68,;9.02,.1,;8.11,-1.14,)|
BDBM265610 O=C1OCC(=C1)N1CC[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C1=O |r,wD:12.16,9.9,c:4,(10.36,-.87,;9.03,-1.64,;9.03,-3.18,;7.56,-3.65,;6.66,-2.41,;7.56,-1.16,;5.17,-2.8,;4.26,-4.05,;2.8,-3.57,;2.8,-2.03,;1.47,-2.8,;.13,-2.03,;.13,-.49,;1.47,.28,;2.8,-.49,;-1.2,.28,;-2.53,-.49,;-3.87,.28,;-3.87,1.82,;-5.2,2.59,;-6.54,1.82,;-6.54,.28,;-5.2,-.49,;-7.87,2.59,;-9.12,1.68,;-10.36,2.59,;-9.89,4.05,;-8.35,4.05,;4.26,-1.56,;5.03,-.22,)|
BDBM265613 O=C1OCC(=C1)N1CC[C@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C1=O |r,wU:12.16,wD:9.9,c:4,(10.36,-.87,;9.03,-1.64,;9.03,-3.18,;7.56,-3.65,;6.66,-2.41,;7.56,-1.16,;5.17,-2.8,;4.26,-4.05,;2.8,-3.57,;2.8,-2.03,;2.8,-.49,;1.47,.28,;.13,-.49,;.13,-2.03,;1.47,-2.8,;-1.2,.28,;-2.53,-.49,;-3.87,.28,;-3.87,1.82,;-5.2,2.59,;-6.54,1.82,;-6.54,.28,;-5.2,-.49,;-7.87,2.59,;-9.12,1.68,;-10.36,2.59,;-9.89,4.05,;-8.35,4.05,;4.26,-1.56,;5.03,-.22,)|
BDBM265616 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2ncnn2)C1=O |r,wU:13.17,wD:10.10,t:1,(6.29,2.74,;7.63,1.97,;7.63,.43,;9.09,-.05,;10,1.2,;9.09,2.44,;9.86,3.78,;6.29,-.34,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,.22,;1.61,.22,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,)|
BDBM265618 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2ncnn2)C1=O |r,wD:13.17,10.10,t:1,(6.29,2.74,;7.63,1.97,;7.63,.43,;9.09,-.05,;10,1.2,;9.09,2.44,;9.86,3.78,;6.29,-.34,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,)|
BDBM265621 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(nc2)-n2ncnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.94,1.39,)|
BDBM265624 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)N[C@H](CO)c2ccc(nc2)-n2cnnn2)C1=O |r,wU:13.17,wD:17.18,10.10,t:1,(6.76,-.5,;7.53,-1.83,;6.62,-3.08,;7.53,-4.33,;8.99,-3.85,;8.99,-2.31,;10.33,-1.54,;5.08,-3.08,;4.18,-4.33,;2.71,-3.85,;2.71,-2.31,;2.71,-.77,;1.38,,;.05,-.77,;.05,-2.31,;1.38,-3.08,;-1.29,,;-2.62,-.77,;-2.62,-2.31,;-1.29,-3.08,;-3.96,,;-5.29,-.77,;-6.62,,;-6.62,1.54,;-5.29,2.31,;-3.96,1.54,;-7.96,2.31,;-9.42,1.83,;-10.33,3.08,;-9.42,4.33,;-7.96,3.85,;4.18,-1.83,;4.95,-.5,)|
BDBM265627 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NC[C@H](O)c2ccc3C(=O)OCc3c2C)C1=O |r,wU:10.34,wD:13.17,18.20,t:1,(7.11,2.2,;7.88,.87,;7.4,-.6,;8.65,-1.5,;9.89,-.6,;9.42,.87,;10.19,2.2,;5.86,-.6,;5.38,-2.06,;3.84,-2.06,;3.37,-.6,;2.97,-2.08,;1.48,-2.48,;.39,-1.39,;.79,.09,;2.28,.49,;-1.15,-1.39,;-2.48,-.62,;-3.81,-1.39,;-3.81,-2.93,;-5.15,-.62,;-5.15,.92,;-6.48,1.69,;-7.82,.92,;-9.28,1.39,;-9.28,2.93,;-10.19,.15,;-9.28,-1.1,;-7.82,-.62,;-6.48,-1.39,;-6.48,-2.93,;4.61,.31,;4.61,1.85,)|
BDBM265629 CC1=C(COC1=O)N1CC[C@]2(CC[C@@H](CC2)NC[C@H](O)c2ccc3C(=O)OCc3c2C)C1=O |r,wU:13.17,10.34,wD:18.20,t:1,(7.11,2.2,;7.88,.87,;7.4,-.6,;8.65,-1.5,;9.89,-.6,;9.42,.87,;10.19,2.2,;5.86,-.6,;5.38,-2.06,;3.84,-2.06,;3.37,-.6,;2.28,.49,;.79,.09,;.39,-1.39,;1.48,-2.48,;2.97,-2.08,;-1.15,-1.39,;-2.48,-.62,;-3.81,-1.39,;-3.81,-2.93,;-5.15,-.62,;-5.15,.92,;-6.48,1.69,;-7.82,.92,;-9.28,1.39,;-9.28,2.93,;-10.19,.15,;-9.28,-1.1,;-7.82,-.62,;-6.48,-1.39,;-6.48,-2.93,;4.61,.31,;4.61,1.85,)|
BDBM265635 CN(Cc1ccc(nn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.25,1.82,;-.85,.33,;-1.94,-.76,;-3.42,-.36,;-4.51,-1.45,;-6,-1.05,;-6.4,.44,;-5.31,1.53,;-3.82,1.13,;-7.89,.83,;-9.13,-.07,;-10.38,.83,;-9.9,2.3,;-8.36,2.3,;.64,-.07,;1.04,-1.56,;2.53,-1.95,;3.61,-.87,;4.09,-2.33,;5.63,-2.33,;6.11,-.87,;7.59,-.47,;8.07,1,;7.3,2.33,;9.61,1,;10.38,2.33,;10.08,-.47,;8.84,-1.37,;4.86,.04,;4.86,1.58,;3.22,.62,;1.73,1.02,)|
BDBM265638 CN(Cc1ccc2C(=O)OCc2c1C)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:14.15,17.23,c:26,(-1.99,1.95,;-1.59,.46,;-2.68,-.63,;-4.16,-.23,;-4.64,1.24,;-6.15,1.56,;-7.18,.41,;-8.72,.41,;-9.49,1.75,;-9.19,-1.05,;-7.95,-1.96,;-6.7,-1.05,;-5.19,-1.37,;-4.72,-2.84,;-.1,.06,;.3,-1.42,;1.79,-1.82,;2.88,-.73,;3.35,-2.2,;4.89,-2.2,;5.37,-.73,;4.12,.17,;4.12,1.71,;6.7,.04,;7.18,1.5,;6.41,2.84,;8.72,1.5,;9.49,2.84,;9.19,.04,;7.95,-.87,;2.48,.76,;.99,1.15,)|
BDBM265640 CN(Cc1ccc2C(=O)OCc2c1C)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:17.19,14.15,c:26,(-1.39,2.03,;-1.39,.49,;-2.73,-.28,;-4.06,.49,;-4.06,2.03,;-5.39,2.8,;-6.73,2.03,;-8.19,2.5,;-8.96,3.84,;-9.1,1.26,;-8.19,.01,;-6.73,.49,;-5.39,-.28,;-5.39,-1.82,;-.06,-.28,;-.06,-1.82,;1.27,-2.59,;2.61,-1.82,;2.61,-3.36,;4.07,-3.84,;4.98,-2.59,;4.07,-1.35,;4.84,-.01,;6.31,-1.82,;6.79,-.36,;6.02,.98,;8.33,-.36,;9.1,.98,;8.8,-1.82,;7.56,-2.73,;2.61,-.28,;1.27,.49,)|
BDBM265643 CN(Cc1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wD:14.15,17.31,c:23,(-1.2,1.63,;-.8,.14,;-1.89,-.95,;-3.38,-.55,;-4.41,-1.69,;-5.92,-1.37,;-6.39,.09,;-5.36,1.24,;-3.86,.92,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,)|
BDBM265646 CN(Cc1ccc(nc1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.2,1.63,;-.8,.14,;-1.89,-.95,;-3.38,-.55,;-4.41,-1.69,;-5.92,-1.37,;-6.39,.09,;-5.36,1.24,;-3.86,.92,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,)|
BDBM265649 CN([C@H](CO)c1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:16.17,19.25,wD:2.1,c:28,(-1.2,1.79,;-.8,.3,;-1.89,-.79,;-1.49,-2.28,;-.01,-2.67,;-3.38,-.39,;-4.41,-1.53,;-5.92,-1.21,;-6.39,.25,;-5.36,1.4,;-3.86,1.08,;-7.9,.57,;-8.81,-.67,;-10.27,-.2,;-10.27,1.34,;-8.81,1.82,;.68,-.1,;1.77,.99,;3.26,.59,;3.66,-.89,;4.13,-2.36,;5.67,-2.36,;6.15,-.89,;4.9,.01,;4.9,1.55,;7.48,-.12,;7.96,1.34,;7.19,2.67,;9.5,1.34,;10.27,2.67,;9.98,-.12,;8.73,-1.03,;2.57,-1.98,;1.08,-1.58,)|
BDBM265655 CN([C@H](CO)c1ccc(nc1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.25,wD:2.1,16.17,c:28,(-1.2,1.79,;-.8,.3,;-1.89,-.79,;-1.49,-2.28,;-.01,-2.67,;-3.38,-.39,;-4.41,-1.53,;-5.92,-1.21,;-6.39,.25,;-5.36,1.4,;-3.86,1.08,;-7.9,.57,;-8.81,-.67,;-10.27,-.2,;-10.27,1.34,;-8.81,1.82,;.68,-.1,;1.08,-1.58,;2.57,-1.98,;3.66,-.89,;4.13,-2.36,;5.67,-2.36,;6.15,-.89,;4.9,.01,;4.9,1.55,;7.48,-.12,;7.96,1.34,;7.19,2.67,;9.5,1.34,;10.27,2.67,;9.98,-.12,;8.73,-1.03,;3.26,.59,;1.77,.99,)|
BDBM265661 CN(Cc1ccc(cn1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wD:14.15,17.31,c:23,(-.99,1.36,;-.6,-.13,;-1.69,-1.22,;-3.17,-.82,;-4.2,-1.97,;-5.71,-1.65,;-6.19,-.18,;-5.15,.96,;-3.65,.64,;-7.69,.14,;-8.6,-1.11,;-10.06,-.63,;-10.06,.91,;-8.6,1.38,;.89,-.53,;1.29,-2.02,;2.78,-2.42,;3.87,-1.33,;4.34,-2.79,;5.88,-2.79,;6.36,-1.33,;7.69,-.56,;7.69,.98,;6.36,1.75,;9.16,1.46,;9.93,2.79,;10.06,.21,;9.16,-1.03,;5.11,-.42,;5.11,1.12,;3.47,.16,;1.98,.56,)|
BDBM265664 CN(Cc1ccc(cn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.14,1.63,;-.74,.14,;-1.83,-.95,;-3.32,-.55,;-4.35,-1.69,;-5.86,-1.37,;-6.33,.09,;-5.3,1.24,;-3.8,.92,;-7.84,.41,;-9.08,-.49,;-10.33,.41,;-9.85,1.88,;-8.31,1.88,;.74,-.25,;1.14,-1.74,;2.63,-2.14,;3.72,-1.05,;4.2,-2.52,;5.74,-2.52,;6.21,-1.05,;7.54,-.28,;8.02,1.18,;7.25,2.52,;9.56,1.18,;10.33,2.52,;10.04,-.28,;8.79,-1.19,;4.97,-.15,;4.97,1.39,;3.32,.44,;1.83,.83,)|
BDBM290116 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM265062 CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.14,2.52,;7.91,1.18,;7.44,-.28,;8.68,-1.19,;9.93,-.28,;9.45,1.18,;10.22,2.52,;6.1,-1.05,;5.63,-2.52,;4.09,-2.52,;3.61,-1.05,;2.52,-2.14,;1.03,-1.74,;.64,-.25,;1.73,.83,;3.21,.44,;-.85,.14,;-1.94,-.95,;-3.43,-.55,;-4.52,-1.64,;-6,-1.24,;-6.4,.25,;-5.31,1.34,;-3.83,.94,;-7.73,.63,;-8.98,-.27,;-10.22,.63,;-9.75,2.1,;-8.21,2.1,;4.86,-.15,;4.86,1.39,)|
BDBM265107 O=Cc1ccc(nc1)-n1cnnn1
BDBM265110 O=Cc1ccc(cn1)-n1cnnn1
BDBM265119 O=Cc1cnc(cn1)-n1cnnn1
BDBM265667 CN(Cc1ccc-2c(Cn3nnnc-23)c1)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:15.17,18.25,c:28,(-1.13,1.63,;-.73,.14,;-1.82,-.95,;-3.3,-.55,;-3.78,.92,;-5.29,1.24,;-6.32,.09,;-5.84,-1.37,;-7.09,-2.28,;-8.33,-1.37,;-9.87,-1.37,;-10.35,.09,;-9.1,1,;-7.86,.09,;-4.33,-1.69,;.76,-.25,;1.16,-1.74,;2.65,-2.14,;3.74,-1.05,;4.21,-2.52,;5.75,-2.52,;6.23,-1.05,;4.98,-.15,;4.98,1.39,;7.56,-.28,;8.04,1.18,;7.27,2.52,;9.58,1.18,;10.35,2.52,;10.05,-.28,;8.81,-1.19,;3.34,.44,;1.85,.83,)|
BDBM265676 CN(Cc1cnc(cn1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wD:14.15,17.31,c:23,(-1.2,1.63,;-.8,.14,;-1.89,-.95,;-3.38,-.55,;-3.86,.92,;-5.36,1.24,;-6.39,.09,;-5.92,-1.37,;-4.41,-1.69,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,)|
BDBM265679 CN(Cc1cnc(cn1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.2,1.63,;-.8,.14,;-1.89,-.95,;-3.38,-.55,;-3.86,.92,;-5.36,1.24,;-6.39,.09,;-5.92,-1.37,;-4.41,-1.69,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,)|
BDBM265682 C[C@@H](N(C)[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1 |r,wD:4.3,7.19,1.0,c:11,(-1.49,-2.43,;-1.89,-.95,;-.8,.14,;-1.2,1.63,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,;-3.38,-.55,;-4.41,-1.69,;-5.92,-1.37,;-6.39,.09,;-5.36,1.24,;-3.86,.92,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,)|
BDBM290104 Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290103 Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM265125 Cc1cc(nnc1C=O)-n1cnnn1
BDBM265131 Cc1nc(cnc1C=O)-n1cnnn1
BDBM265134 Cc1cc(C=O)nnc1-n1cnnn1
BDBM265137 O=Cc1ccc(cc1)-n1cnnn1
BDBM265146 O=Cc1cnc(s1)-n1cnnn1
BDBM265149 C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1 |r,wU:6.18,wD:3.2,1.0,c:10,(-1.46,-2.43,;-1.86,-.95,;-.77,.14,;.72,-.25,;1.11,-1.74,;2.6,-2.14,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.94,1.39,;3.29,.44,;1.8,.83,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,)|
BDBM265152 Cc1c2Cn3nnnc3-c2ccc1C=O
BDBM265155 Fc1c2Cn3nnnc3-c2ccc1C=O
BDBM265191 Cc1cc-2c(Cn3nnnc-23)cc1C=O
BDBM265266 Cc1c2COC(=O)c2ccc1C=O
BDBM266965 C[C@@H](N(C)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1 |r,wU:7.19,wD:4.3,1.0,c:11,(-1.49,-2.43,;-1.89,-.95,;-.8,.14,;-1.2,1.63,;.68,-.25,;1.08,-1.74,;2.57,-2.14,;3.66,-1.05,;4.13,-2.52,;5.67,-2.52,;6.15,-1.05,;7.48,-.28,;7.96,1.18,;7.19,2.52,;9.5,1.18,;10.27,2.52,;9.98,-.28,;8.73,-1.19,;4.9,-.15,;4.9,1.39,;3.26,.44,;1.77,.83,;-3.38,-.55,;-4.41,-1.69,;-5.92,-1.37,;-6.39,.09,;-5.36,1.24,;-3.86,.92,;-7.9,.41,;-8.81,-.83,;-10.27,-.36,;-10.27,1.18,;-8.81,1.66,)|
BDBM266966 C[C@H](N(C)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nc1)-n1cnnn1 |r,wU:7.19,1.0,wD:4.3,c:11,(-1.43,-2.43,;-1.83,-.95,;-.74,.14,;-1.14,1.63,;.74,-.25,;1.14,-1.74,;2.63,-2.14,;3.72,-1.05,;4.2,-2.52,;5.74,-2.52,;6.21,-1.05,;7.54,-.28,;8.02,1.18,;7.25,2.52,;9.56,1.18,;10.33,2.52,;10.04,-.28,;8.79,-1.19,;4.97,-.15,;4.97,1.39,;3.32,.44,;1.83,.83,;-3.32,-.55,;-4.35,-1.69,;-5.86,-1.37,;-6.33,.09,;-5.3,1.24,;-3.8,.92,;-7.84,.41,;-9.08,-.49,;-10.33,.41,;-9.85,1.88,;-8.31,1.88,)|
BDBM266967 CN(Cc1ccc2c(ccc3nnnn23)c1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:19.34,wD:16.18,c:26,(-1.16,1.81,;-.77,.32,;-1.86,-.76,;-3.34,-.37,;-3.97,1.04,;-5.5,1.2,;-6.41,-.04,;-5.78,-1.45,;-6.68,-2.7,;-8.22,-2.54,;-8.84,-1.13,;-10.31,-.65,;-10.31,.89,;-8.84,1.36,;-7.94,.12,;-4.25,-1.61,;.72,-.07,;1.12,-1.56,;2.61,-1.96,;3.7,-.87,;4.17,-2.34,;5.71,-2.34,;6.19,-.87,;7.52,-.1,;8,1.36,;7.23,2.7,;9.54,1.36,;10.31,2.7,;10.01,-.1,;8.77,-1.01,;4.94,.03,;4.94,1.57,;3.3,.62,;1.81,1.01,)|
BDBM266968 CN(Cc1ccc-2c(Cn3nnnc-23)c1C)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wD:16.18,19.26,c:29,(-1.13,1.95,;-.73,.46,;-1.82,-.63,;-3.3,-.23,;-3.78,1.24,;-5.29,1.56,;-6.32,.41,;-5.84,-1.05,;-7.09,-1.96,;-8.33,-1.05,;-9.87,-1.05,;-10.35,.41,;-9.1,1.32,;-7.86,.41,;-4.33,-1.37,;-3.86,-2.84,;.76,.06,;1.16,-1.42,;2.65,-1.82,;3.74,-.73,;4.21,-2.2,;5.75,-2.2,;6.23,-.73,;4.98,.17,;4.98,1.71,;7.56,.04,;8.04,1.5,;7.27,2.84,;9.58,1.5,;10.35,2.84,;10.05,.04,;8.81,-.87,;3.34,.76,;1.85,1.15,)|
BDBM266969 CN(Cc1ccc-2c(Cn3nnnc-23)c1C)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:19.26,wD:16.18,c:29,(-1.13,1.95,;-.73,.46,;-1.82,-.63,;-3.3,-.23,;-3.78,1.24,;-5.29,1.56,;-6.32,.41,;-5.84,-1.05,;-7.09,-1.96,;-8.33,-1.05,;-9.87,-1.05,;-10.35,.41,;-9.1,1.32,;-7.86,.41,;-4.33,-1.37,;-3.86,-2.84,;.76,.06,;1.16,-1.42,;2.65,-1.82,;3.74,-.73,;4.21,-2.2,;5.75,-2.2,;6.23,-.73,;4.98,.17,;4.98,1.71,;7.56,.04,;8.04,1.5,;7.27,2.84,;9.58,1.5,;10.35,2.84,;10.05,.04,;8.81,-.87,;3.34,.76,;1.85,1.15,)|
BDBM290105 O=C(C1CCCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM290118 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM290119 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290120 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM265296 O=Cc1ccc2Cn3nnnc3-c2c1
BDBM265335 C[C@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc(nn1)-n1cnnn1 |r,wU:6.18,1.0,wD:3.2,c:10,(-.7,-3.78,;-1.47,-2.44,;-.7,-1.11,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;3.92,-1.11,;4.83,-2.36,;6.29,-1.88,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,;4.83,.13,;4.06,1.47,;3.15,.22,;1.61,.22,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,)|
BDBM265347 C[C@@H](N[C@H]1CC[C@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc-2c(CCc3nnnn-23)c1 |r,wU:6.6,wD:3.2,1.0,c:10,(-2.54,-2.14,;-2.54,-.6,;-1.21,.17,;.13,-.6,;.13,-2.14,;1.46,-2.91,;2.79,-2.14,;2.79,-3.68,;4.26,-4.15,;5.16,-2.91,;6.65,-2.51,;7.56,-1.26,;6.79,.07,;9.02,-1.74,;10.35,-.97,;9.02,-3.28,;7.56,-3.75,;4.26,-1.66,;5.03,-.33,;2.79,-.6,;1.46,.17,;-3.88,.17,;-3.88,1.71,;-5.21,2.48,;-6.54,1.71,;-6.54,.17,;-7.88,-.6,;-9.21,.17,;-9.21,1.71,;-10.35,2.74,;-9.73,4.15,;-8.2,3.99,;-7.88,2.48,;-5.21,-.6,)|
BDBM265446 C[C@@H](N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc-2c(CCc3nnnn-23)c1 |r,wD:3.2,6.6,1.0,c:10,(-2.54,-2.14,;-2.54,-.6,;-1.21,.17,;.13,-.6,;.13,-2.14,;1.46,-2.91,;2.79,-2.14,;2.79,-3.68,;4.26,-4.15,;5.16,-2.91,;6.65,-2.51,;7.56,-1.26,;6.79,.07,;9.02,-1.74,;10.35,-.97,;9.02,-3.28,;7.56,-3.75,;4.26,-1.66,;5.03,-.33,;2.79,-.6,;1.46,.17,;-3.88,.17,;-3.88,1.71,;-5.21,2.48,;-6.54,1.71,;-6.54,.17,;-7.88,-.6,;-9.21,.17,;-9.21,1.71,;-10.35,2.74,;-9.73,4.15,;-8.2,3.99,;-7.88,2.48,;-5.21,-.6,)|
BDBM265452 CC1C[C@@]2(CC[C@@H](CC2)NCc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,wD:6.9,t:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM266970 C[C@H]1C[C@]2(CC[C@@H](CC2)N(C)Cc2cnc(cn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wU:3.2,1.0,wD:6.9,c:30,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,.22,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM266971 C[C@@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2cnc(cn2)-n2cnnn2)C(=O)N1C1=C(C)C(=O)OC1 |r,wD:6.9,3.2,1.0,c:30,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,.22,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM266972 CN([C@@H](CO)c1ccc(nc1)-n1cnnn1)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:2.1,16.17,wD:19.21,c:28,(-1.26,1.54,;-1.26,,;-2.6,-.77,;-2.6,-2.31,;-1.26,-3.08,;-3.93,,;-5.26,-.77,;-6.6,,;-6.6,1.54,;-5.26,2.31,;-3.93,1.54,;-7.93,2.31,;-9.39,1.83,;-10.3,3.08,;-9.39,4.33,;-7.93,3.85,;.07,-.77,;1.41,,;2.74,-.77,;2.74,-2.31,;2.74,-3.85,;4.2,-4.33,;5.11,-3.08,;4.2,-1.83,;4.97,-.5,;6.6,-2.68,;7.5,-1.44,;6.73,-.1,;8.97,-1.91,;10.3,-1.14,;8.97,-3.45,;7.5,-3.93,;1.41,-3.08,;.07,-2.31,)|
BDBM266973 CN([C@@H](CO)c1ccc(nc1)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:2.1,wD:16.17,19.21,c:28,(-1.26,1.54,;-1.26,,;-2.6,-.77,;-2.6,-2.31,;-1.26,-3.08,;-3.93,,;-5.26,-.77,;-6.6,,;-6.6,1.54,;-5.26,2.31,;-3.93,1.54,;-7.93,2.31,;-9.39,1.83,;-10.3,3.08,;-9.39,4.33,;-7.93,3.85,;.07,-.77,;.07,-2.31,;1.41,-3.08,;2.74,-2.31,;2.74,-3.85,;4.2,-4.33,;5.11,-3.08,;4.2,-1.83,;4.97,-.5,;6.6,-2.68,;7.5,-1.44,;6.73,-.1,;8.97,-1.91,;10.3,-1.14,;8.97,-3.45,;7.5,-3.93,;2.74,-.77,;1.41,,)|
BDBM266974 CN(Cc1ccc(nn1)-n1cnnn1)C1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |t:23,(-1.47,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;3.92,-1.11,;4.83,-2.36,;6.29,-1.88,;6.29,-.34,;7.63,.43,;7.63,1.97,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,;4.83,.13,;4.06,1.47,;3.15,.22,;1.61,.22,)|
BDBM290055 Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290074 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1 |r|
BDBM265455 CC(N[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1cnc(cn1)-n1cnnn1 |r,wU:6.18,wD:3.2,c:10,(-1.46,-2.43,;-1.86,-.95,;-.77,.14,;.72,-.25,;1.11,-1.74,;2.6,-2.14,;3.69,-1.05,;4.17,-2.52,;5.71,-2.52,;6.18,-1.05,;7.52,-.28,;7.99,1.18,;7.22,2.52,;9.53,1.18,;10.3,2.52,;10.01,-.28,;8.76,-1.19,;4.94,-.15,;4.54,1.34,;3.29,.44,;1.8,.83,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,)|
BDBM265458 CC(=O)c1ccc(nn1)-n1cnnn1
BDBM265461 CC(=O)c1cnc(cn1)-n1cnnn1
BDBM265464 CC(=O)c1ccc(cn1)-n1cnnn1
BDBM265467 CC(=O)c1ccc-2c(Cn3nnnc-23)c1
BDBM265473 CC(=O)c1ccc(nc1)-n1cnnn1
BDBM265476 CC(=O)c1nnc(cc1C)-n1cnnn1
BDBM265479 CC(=O)c1ccc(cc1)-n1cnnn1
BDBM265482 CC(=O)c1ccc-2c(CCc3nnnn-23)c1
BDBM266975 C[C@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.25,1.0,wD:6.9,t:30,(6.4,-3,;5.63,-1.66,;4.09,-1.66,;3.61,-.2,;2.53,-1.29,;1.04,-.89,;.64,.6,;1.73,1.69,;3.22,1.29,;-.85,1,;-1.25,2.48,;-1.94,-.09,;-3.42,.31,;-4.51,-.78,;-6,-.38,;-6.4,1.1,;-5.31,2.19,;-3.82,1.79,;-7.89,1.5,;-9.13,.6,;-10.38,1.5,;-9.9,2.97,;-8.36,2.97,;4.86,.71,;4.86,2.25,;6.11,-.2,;7.59,.2,;8.07,1.66,;9.61,1.66,;10.38,3,;10.08,.2,;8.84,-.71,)|
BDBM266976 CN(CCc1ccc2C(=O)OCc2c1)[C@H]1CC[C@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:14.15,wD:17.19,c:26,(-.56,1,;-.56,-.54,;-2.1,-.54,;-2.87,-1.87,;-4.41,-1.87,;-5.18,-.54,;-6.72,-.54,;-7.49,-1.87,;-8.99,-2.19,;-10.14,-1.16,;-9.15,-3.72,;-7.75,-4.35,;-6.72,-3.21,;-5.18,-3.21,;.98,-.54,;1.75,.79,;3.29,.79,;4.06,-.54,;4.97,-1.78,;6.43,-1.31,;6.43,.23,;4.97,.71,;4.2,2.04,;7.77,1,;7.77,2.54,;6.43,3.31,;9.23,3.02,;10,4.35,;10.14,1.77,;9.23,.53,;3.29,-1.87,;1.75,-1.87,)|
BDBM266978 CN(Cc1nnc(cc1C)-n1cnnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:18.32,wD:15.16,c:24,(-.96,1.27,;-.56,-.21,;-1.65,-1.3,;-3.14,-.9,;-3.54,.58,;-5.03,.98,;-6.12,-.11,;-5.72,-1.59,;-4.23,-1.99,;-3.83,-3.48,;-7.6,.29,;-8.51,-.95,;-9.97,-.48,;-9.97,1.06,;-8.51,1.54,;.92,-.61,;1.32,-2.1,;2.81,-2.5,;3.9,-1.41,;4.8,-2.66,;6.27,-2.18,;6.27,-.64,;7.6,.13,;7.6,1.67,;6.27,2.44,;9.07,2.15,;9.84,3.48,;9.97,.9,;9.07,-.35,;4.8,-.16,;4.03,1.17,;3.5,.08,;2.01,.48,)|
BDBM266979 C[C@@H]1C[C@@]2(CC[C@@H](CC2)N(C)Cc2ccc(nn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.25,wD:6.9,1.0,t:30,(7.6,-3.21,;6.27,-2.44,;4.8,-2.92,;3.9,-1.67,;2.81,-2.76,;1.32,-2.37,;.92,-.88,;2.01,.21,;3.5,-.19,;-.56,-.48,;-.96,1.01,;-1.65,-1.57,;-3.14,-1.17,;-4.23,-2.26,;-5.72,-1.86,;-6.12,-.37,;-5.03,.72,;-3.54,.32,;-7.6,.03,;-8.51,-1.22,;-9.97,-.74,;-9.97,.8,;-8.51,1.27,;4.8,-.43,;4.03,.9,;6.27,-.9,;7.6,-.13,;7.6,1.41,;9.07,1.88,;9.84,3.21,;9.97,.64,;9.07,-.61,)|
BDBM290050 Cc1c(ccc(Cl)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290053 Cc1cc(F)c(cc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r|
BDBM290085 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1Cl)-n1cnnn1 |r|
BDBM290052 Cc1c(ccc(Cl)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290099 C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ccc12)-n1cnnn1 |r|
BDBM290106 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290037 O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
BDBM265670 CN(Cc1ccc-2c(Cn3nnnc-23)c1)[C@H]1CC[C@@]2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,wU:18.25,wD:15.17,c:28,(-1.13,1.63,;-.73,.14,;-1.82,-.95,;-3.3,-.55,;-3.78,.92,;-5.29,1.24,;-6.32,.09,;-5.84,-1.37,;-7.09,-2.28,;-8.33,-1.37,;-9.87,-1.37,;-10.35,.09,;-9.1,1,;-7.86,.09,;-4.33,-1.69,;.76,-.25,;1.16,-1.74,;2.65,-2.14,;3.74,-1.05,;4.21,-2.52,;5.75,-2.52,;6.23,-1.05,;4.98,-.15,;4.98,1.39,;7.56,-.28,;8.04,1.18,;7.27,2.52,;9.58,1.18,;10.35,2.52,;10.05,-.28,;8.81,-1.19,;3.34,.44,;1.85,.83,)|
BDBM290064 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
BDBM290087 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1 |r|
BDBM290061 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cccc(c1)-n1cnnn1 |r|
BDBM265541 CC1C[C@@]2(CC[C@@H](CC2)NCc2cnc(cn2)-n2cnnn2)C(=O)N1C1=CC(=O)OC1 |r,wU:3.24,wD:6.9,t:29,(7.63,-2.65,;6.29,-1.88,;4.83,-2.36,;3.92,-1.11,;3.15,-2.44,;1.61,-2.44,;.84,-1.11,;1.61,.22,;3.15,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-1.11,;-5.32,-1.11,;-6.09,-2.44,;-5.32,-3.78,;-3.78,-3.78,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;4.83,.13,;4.06,1.47,;6.29,-.34,;7.63,.43,;7.63,1.97,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,)|
BDBM290088 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)CCc1cccc(c1)-n1cnnn1 |r|
BDBM290057 Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r|
BDBM290108 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290069 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(F)c(cc1F)-n1cnnn1 |r|
BDBM290070 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cc(F)c(cc1F)-n1cnnn1 |r|
BDBM290067 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1c(F)cc(cc1F)-n1cnnn1 |r|
BDBM290109 Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290110 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r|
BDBM290073 Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1 |r|