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3867 SMILES Strings for 5-hydroxytryptamine receptor 2A

Compound NameSMILES String
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM30853 NCCc1c[nH]c2ccc(F)cc12
BDBM82181 COc1cccc(C(O)C2CCN(CCn3c(=S)[nH]c4ccccc4c3=O)CC2)c1OC
BDBM82182 COc1c(OCCF)cccc1C(O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
BDBM82183 COc1c(OCCF)cccc1\C(=N\OCCN(C)C)C1CCN(CCc2ccc(F)cc2)CC1
BDBM9019 COc1ccc2[nH]cc(CCNC(C)=O)c2c1
BDBM8582 [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
BDBM50443101 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
BDBM10758 NCCc1ccccc1
BDBM21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21392 NCCc1c[nH]c2ccc(cc12)C(N)=O
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
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|
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM28583 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
BDBM28582 COc1cc(CC(C)N)c(OC)cc1I
BDBM35248 O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1
BDBM35249 CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35251 CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM30704 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
BDBM35246 O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM35250 CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
BDBM50333541 CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50333542 CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc2ccccc2c1
BDBM50333543 CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM50333548 CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM35247 O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
BDBM50333551 CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM50333553 CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM35930 CNCC(c1ccccc1)c1ccccc1
BDBM35931 CN(C)CC(c1ccccc1)c1ccccc1
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM30701 CNCCc1c[nH]c2ccccc12
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
BDBM50334401 Fc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
BDBM50334402 C1CN(C1)c1c2CCNCCc2nc2ccnn12
BDBM50334403 O=C1Cc2cc(OC3CN(C3)c3c4CCNCCc4nc4ccnn34)ccc2N1
BDBM50334404 C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccc1
BDBM50334405 Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
BDBM50334406 Fc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
BDBM50334407 C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccn1
BDBM50334408 CCNc1c2CCNCCc2nc2ccnn12
BDBM50334409 COc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
BDBM50334410 COc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
BDBM50334411 COc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
BDBM50334412 CN(C(C)=O)c1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
BDBM50334413 C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1cccnc1
BDBM50334415 C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccncc1
BDBM50334416 C1CCN(C1)c1c2CCNCCc2nc2ccnn12
BDBM50334417 C1CCN(CC1)c1c2CCNCCc2nc2ccnn12
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM35244 CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM22870 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM30707 COc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM35928 CN(C)CCCC1c2ccccc2Cc2ccccc12
BDBM35929 NCC(c1ccccc1)c1ccccc1
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM35240 NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35241 CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35245 O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1
BDBM35936 CNCCCC(c1ccccc1)c1ccccc1
BDBM35937 CN(C)CCCC(c1ccccc1)c1ccccc1
BDBM35243 CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35242 CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35252 CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35933 CNCCC(c1ccccc1)c1ccccc1
BDBM50334455 Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
BDBM50334456 CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
BDBM35253 O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM50097223 NCC1c2ccccc2-c2ccccc12
BDBM35934 CN(C)CCC(c1ccccc1)c1ccccc1
BDBM35935 NCCCC(c1ccccc1)c1ccccc1
BDBM35232 CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM35932 NCCC(c1ccccc1)c1ccccc1
BDBM35231 CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
BDBM50155520 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50097644 C(NCc1ccccc1)C1c2ccccc2Cc2ccccc12
BDBM50028980 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ccccc12 |t:8|
BDBM35921 CNCC1c2ccccc2Cc2ccccc12
BDBM50171671 COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(CC4)c4nsc5ccccc45)c23)c1
BDBM50171672 CC1Cc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2NC1=O
BDBM50171659 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12
BDBM50171660 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
BDBM35922 CN(C)CC1c2ccccc2Cc2ccccc12
BDBM50108705 Fc1ccc(cc1)C(=O)CN1CCC(CC1)S(=O)(=O)c1ccccc1
BDBM50108706 NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
BDBM50064783 COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064784 COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064785 COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064786 CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
BDBM50064787 CNC(=O)c1ccc2[C@@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
BDBM50130269 CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34 |c:23|
BDBM50130270 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50091077 NCCc1ccc(CCCc2ccccc2)cc1
BDBM50171668 CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
BDBM50171669 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171673 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
BDBM50171674 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12
BDBM50171675 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12
BDBM50171676 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12
BDBM50171677 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cccc12
BDBM50171683 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171273 CN(C)Cc1cn(C)c2cccc(O)c12
BDBM50171274 CN(C)CCc1c(C)[nH]c2cccc(O)c12
BDBM50125148 Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50106482 CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
BDBM50095038 CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)[N+]([O-])=O
BDBM50095039 CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50095040 CCN(CC)CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50095041 CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
BDBM50095042 C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50095043 CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
BDBM50095044 CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1F
BDBM50108689 Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
BDBM50014219 COc1ccc2[nH]cc(CC(C)N)c2c1
BDBM50095045 CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50095046 CCN(C)CCc1c([nH]c2ccccc12)-c1ccco1
BDBM50095047 C[C@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50095048 C1CC2CC(CC1N2)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:8:4:7:0.1|
BDBM50095049 C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50095050 C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50024205 Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50024206 CN(C)CCc1c[nH]c2ccc(O)cc12
BDBM50000492 COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
BDBM35927 CNCCCC1c2ccccc2Cc2ccccc12
BDBM50108698 Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2C3)c(F)c1
BDBM50108699 Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
BDBM50108700 COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1
BDBM50108701 Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
BDBM50014406 Cc1[nH]c2ccc(O)cc2c1CCN
BDBM50108653 COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
BDBM50108654 COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
BDBM50108659 COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50005118 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
BDBM50081081 Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
BDBM50099281 O=C1NCCN1CCN1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099282 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccoc1
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50035179 COc1ccc2cccc(CCNC(C)=O)c2c1
BDBM50024204 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
BDBM35923 NCCC1c2ccccc2Cc2ccccc12
BDBM35924 CNCCC1c2ccccc2Cc2ccccc12
BDBM50026045 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
BDBM50024210 NCCc1c[nH]c2ccccc12
BDBM50145564 C1CCc2c(CC1)c1cccc3CNCCn2c13
BDBM50145565 C1Cn2c3CCCCCCc3c3cccc(CN1)c23
BDBM50145566 Cc1cc2CNCCn3c4CCCCc4c(c1)c23
BDBM50145567 Cc1cc2CNCCn3c4CCCc4c(c1)c23
BDBM50145568 C1Cc2c(C1)c1cccc3CNCCn2c13
BDBM50073691 Cc1ccc2[nH]cc(CCN)c2c1
BDBM50150057 CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
BDBM50090528 CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
BDBM50099259 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccsc1
BDBM50099260 F[C@@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099261 COC(=O)c1[nH]c2cc(F)ccc2c1C1CNCC[C@H]1F
BDBM50099262 C1CNCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099263 CN1CCCCC1c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099264 CN1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099265 F[C@@H]1CCNCC1c1c([nH]c2c(F)cccc12)-c1ccccc1
BDBM50099266 F[C@@H]1CCNCC1c1c([nH]c2ccc(Cl)cc12)-c1ccccc1
BDBM50099267 C(Cc1ccccc1)N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099268 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C1CCCCC1
BDBM50099269 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc(F)cc1
BDBM50099270 F[C@@H]1CCNCC1c1c([nH]c2c(Cl)cccc12)-c1ccccc1
BDBM50099271 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccc2ccccc12
BDBM50099273 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1
BDBM50111523 NCC1CC2c3ccccc3C1c1ccccc21 |TLB:9:10:12.17:2.3,13:12:10.5:2.3,THB:1:2:10.5:12.17,(8.57,-3.6,;6.87,-4.28,;6.57,-5.83,;5.98,-6.61,;6.66,-8.59,;5.03,-9.2,;3.34,-9.89,;1.92,-9.4,;2.19,-8.22,;3.86,-7.54,;5.29,-8.02,;6.99,-7.35,;8.41,-7.84,;10.09,-7.17,;11.51,-7.65,;11.24,-8.83,;9.57,-9.51,;8.14,-9.01,)|
BDBM50111524 N1C2C1C1c3ccccc3C2c2ccccc12 |TLB:15:16:2.1:4.9,5:4:2.1:11.16,THB:0:2:4.9:11.16,0:1:4.9:11.16,(13.37,-10.09,;10.87,-11.51,;11.39,-10.6,;11.39,-11.98,;9.66,-12.67,;8.2,-12.17,;6.5,-12.87,;6.22,-14.06,;7.67,-14.56,;9.39,-13.87,;11.05,-13.25,;12.57,-13.66,;14.02,-14.18,;15.73,-13.48,;16,-12.28,;14.55,-11.8,;12.84,-12.48,)|
BDBM50111528 NCCc1ccccc1Cc1ccccc1
BDBM50111529 NCc1c2ccccc2cc2ccccc12
BDBM50111530 NCC1Cc2ccccc2-c2ccccc12
BDBM50099257 F[C@@H]1CCNCC1c1c([nH]c2cc(Cl)ccc12)-c1ccccc1
BDBM50099258 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc2ccccc2c1
BDBM35925 CN(C)CCC1c2ccccc2Cc2ccccc12
BDBM35926 NCCCC1c2ccccc2Cc2ccccc12
BDBM50108696 NC(=O)c1cccc(c1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
BDBM50108697 Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2O3)c(F)c1
BDBM50108703 O=S(=O)(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50108704 Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
BDBM50099254 F[C@@H]1CCNCC1c1c([nH]c2ccc(F)cc12)-c1ccccc1
BDBM50099255 Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1
BDBM50099256 F[C@@H]1CCNCC1c1c[nH]c2cc(F)ccc12
BDBM50145559 C[C@@H]1Cn2c3CCCCc3c3cccc(CN1)c23
BDBM50145562 CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
BDBM50142448 CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
BDBM50142450 COc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
BDBM50242927 CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
BDBM50125149 CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125150 Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCCN2c13
BDBM50125151 Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13
BDBM50125152 Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCCN2c13
BDBM50125163 Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13
BDBM50125164 Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
BDBM50125165 CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125166 Fc1ccc(C(=O)CCCN2CC[C@H]3[C@@H](C2)c2cccc4SCCCN3c24)c(NC=O)c1
BDBM50125167 Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125168 Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
BDBM50125169 Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13
BDBM50125175 Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCCN2c13
BDBM50125176 Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCN2c13
BDBM50125177 CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125178 Nc1ccc(F)cc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50005256 COc1cc(CC(C)N)cc(OC)c1OC
BDBM50005257 COc1cc(CC(C)N)c(OC)cc1Br
BDBM50125179 Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCCN2c13
BDBM50125180 Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3OCCN2c13
BDBM50125260 Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
BDBM50130286 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
BDBM50171235 Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
BDBM50171236 COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
BDBM50099280 C1COC(CN1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50111525 NCC12CC(c3ccccc13)c1ccccc21 |TLB:15:16:10.5:3,9:10:16.11:3|
BDBM50111526 CC1(CN)c2ccccc2Cc2ccccc12
BDBM50111527 C1NCc2cccc3Cc4ccccc4C1c23
BDBM50111531 NCC1CCCc2ccccc12
BDBM50111532 NC1CC2c3ccccc3C1c1ccccc21 |TLB:0:1:11.16:9.4,8:9:11.16:1.2,12:11:9.4:1.2,(13.37,-10.09,;11.39,-10.6,;10.64,-11.69,;11.05,-13.25,;12.57,-13.66,;14.02,-14.18,;15.73,-13.48,;16,-12.28,;14.55,-11.8,;12.84,-12.48,;11.39,-11.98,;9.66,-12.67,;8.2,-12.17,;6.5,-12.87,;6.22,-14.06,;7.67,-14.56,;9.39,-13.87,)|
BDBM50111533 CC1(C)c2ccccc2C(CN)c2ccccc12
BDBM50111534 CC(N)C1c2ccccc2Cc2ccccc12
BDBM50111535 NCC12CCC(c3ccccc13)c1ccccc21 |TLB:16:17:11.6:3.4,10:11:17.12:3.4,(13.29,-10.03,;11.57,-10.72,;11.32,-11.9,;10.9,-10.36,;10.3,-11.14,;10.99,-13.17,;12.49,-13.58,;13.93,-14.09,;15.63,-13.4,;15.9,-12.2,;14.46,-11.72,;12.76,-12.41,;9.33,-13.78,;7.63,-14.47,;6.18,-13.98,;6.46,-12.79,;8.15,-12.09,;9.6,-12.59,)|
BDBM50005835 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50130278 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
BDBM50130279 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
BDBM50171259 CN(C)CCc1c[nH]c2cc(O)ccc12
BDBM50171260 CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1
BDBM50171261 CN(C)CCc1cn(C)c2cccc(O)c12
BDBM50171262 CCCCn1cc(CCN(C)C)c2c(O)cccc12
BDBM50171263 CCCCn1cc(CCN(C)C)c2c(OP(O)(O)=O)cccc12
BDBM50171264 CN(C)CCc1c[nH]c2cccc(F)c12
BDBM50171265 Oc1cccc2[nH]cc(CCN3CCCC3)c12
BDBM50171266 CN(C)CCc1cn(C)c2cccc(OP(O)(O)=O)c12
BDBM50171269 CN(C)CCc1c[nH]c2cccc(OP(O)(O)=O)c12
BDBM50171270 CN(C)CCCc1c[nH]c2cccc(O)c12
BDBM50026868 CN(C)CCc1c[nH]c2ccccc12
BDBM50003036 CN(C)CCc1c[nH]c2ccc3OCCCc3c12
BDBM50003037 Cn1cc(CCN)c2c3CCCOc3ccc12
BDBM50003039 NCCc1c[nH]c2ccc3OCCCc3c12
BDBM50131083 NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc12
BDBM50131085 NCC1c2ccccc2Cc2cc(Br)ccc12
BDBM50131086 COc1ccc2C(CN)c3ccccc3Cc2c1
BDBM50205888 CC1(CC1)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205889 COc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205890 CC[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
BDBM50205891 CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
BDBM50205892 FC(F)(F)c1cc(Cl)cc2[C@@H]3CNCCN3C(=O)c12
BDBM50205893 COc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
BDBM50205894 CC(C)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205895 FC(F)(F)Oc1cccc2C3CNCCN3C(=O)c12
BDBM50071959 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
BDBM50205883 C[C@@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
BDBM50205884 O=C1N2CCNCC2c2ccccc12
BDBM50205885 COc1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
BDBM50205886 Cc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
BDBM50099274 C(N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099275 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C(=O)Nc1ccccc1
BDBM50099276 F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccnc1
BDBM50099277 CN1CCN(C)C(C1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099278 O[C@@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1
BDBM50099279 F[C@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1
BDBM50171271 CC(Cc1c[nH]c2cccc(O)c12)N(C)C
BDBM50171272 CN(C)Cc1c[nH]c2cccc(O)c12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50014407 C1CN(CCN1)c1ccc2ccccc2n1
BDBM50130071 NC(=O)c1c2CCNCCn2c2ccccc12
BDBM50130072 C1Cc2[nH]c3ccccc3c2CCN1
BDBM50130073 CCOc1ccc(cc1)-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130074 CCOc1cccc(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130075 CCOc1ccccc1-c1ccc2N3CCNCCC3Cc2c1
BDBM50130076 N#Cc1c2CCNCCn2c2ccccc12
BDBM50130077 NC(=O)C(=O)c1c2CCNCCn2c2ccccc12
BDBM50130078 CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130079 Fc1ccc(cc1)-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130080 Cc1ccccc1-c1cccc2CC3CCNCCN3c12
BDBM50130081 C1Cn2c3CCNCCc3c3cccc(O1)c23
BDBM50130082 CN1CCc2cc3ccccc3n2CC1
BDBM50130083 O=Cc1c2CCNCCn2c2ccccc12
BDBM50130084 Clc1c2CCNCCn2c2ccccc12
BDBM50130085 CCOc1ccccc1-c1cc(Cl)cc2cc3CCNCCn3c12
BDBM50130086 Clc1ccc(Cl)c(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50074913 CN(C)CCc1c[nH]c2ccsc12
BDBM50205887 C[C@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
BDBM50061255 Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
BDBM35920 NCC1c2ccccc2Cc2ccccc12
BDBM50038667 COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br
BDBM50038668 CCNCCc1c[nH]c2ccc(OC)cc12
BDBM50038669 COc1cc(CCN(C)C)c(OC)cc1Br
BDBM50038670 CCNCCc1cc(OC)c(Br)cc1OC
BDBM50038671 COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br
BDBM50038672 COc1cc(CCNCc2ccccc2)c(OC)cc1Br
BDBM50038673 COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)cc1
BDBM50038674 COc1cc(CCNCCCc2ccccc2)c(OC)cc1Br
BDBM50038675 COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
BDBM50038676 COc1cc(CCNCc2ccc(F)cc2)c(OC)cc1Br
BDBM50038677 COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1
BDBM50038678 CNCCc1cc(OC)c(Br)cc1OC
BDBM50038679 COc1ccc2[nH]cc(CCNCc3ccccc3)c2c1
BDBM50038680 COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1
BDBM50038681 COc1cc(CCN2CCCCC2)c(OC)cc1Br
BDBM50038682 COc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1
BDBM50038683 COc1cc(CCNCCCCc2ccccc2)c(OC)cc1Br
BDBM50038684 COc1ccc2[nH]cc(CCNCc3ccc(I)cc3)c2c1
BDBM50038685 COc1ccc2[nH]cc(CCNCc3ccc(cc3)[N+]([O-])=O)c2c1
BDBM50038686 COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br
BDBM50074914 CN(C)CCc1c[nH]c2sccc12
BDBM50171661 CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
BDBM50171662 CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171663 O=C1CC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1
BDBM50171664 CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171665 CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171666 O=C1CCc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1
BDBM50171667 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
BDBM50171670 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3ns(=O)c4ccccc34)cc(F)cc12
BDBM50190208 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|
BDBM50038689 COc1ccc2[nH]cc(CCNCCCc3ccccc3)c2c1
BDBM50038690 COc1ccc2[nH]cc(CCN3CCCCC3)c2c1
BDBM50038691 CNCCc1c[nH]c2ccc(OC)cc12
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50131090 CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50144845 C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
BDBM50144846 CSc1cc2N(C[C@H](C)N)CCc2cc1F
BDBM50171682 CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12
BDBM50031942 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50246276 CNC(C)c1ccccc1Oc1ccc(C)cc1
BDBM50246277 CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
BDBM50060429 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50205881 C[C@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
BDBM50205882 CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50060425 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
BDBM50205856 FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C1CC1
BDBM50205857 FC(F)(F)c1cccc2[C@H]3CNCCN3C(=O)c12
BDBM50050467 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
BDBM50160806 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@@H](O)CCCc2n1
BDBM50160807 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
BDBM50160808 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@@H](O)CCc2n1
BDBM50160809 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@H](O)CCCc2n1
BDBM50160810 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@H](O)CCc2n1
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50152303 O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
BDBM50087024 CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
BDBM50184584 FC(F)(F)c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
BDBM50184585 Clc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
BDBM50184586 FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
BDBM50184587 C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50205879 CC(C)Oc1cccc2C3CNCCN3C(=O)c12
BDBM50205880 CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50246232 CN(C)Cc1ccccc1Oc1ccc(F)c(F)c1
BDBM50246233 CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1
BDBM50130261 Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
BDBM50246181 CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246230 CN(C)Cc1ccccc1Oc1ccc(C)cc1
BDBM50246231 CN(C)Cc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
BDBM50246429 CNCc1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246427 CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
BDBM50246428 CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50130443 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
BDBM50038663 COc1ccc2[nH]cc(CCNCc3ccc(C)cc3)c2c1
BDBM50038664 COc1ccc2[nH]cc(CCNCc3ccc(F)cc3)c2c1
BDBM50038665 COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br
BDBM50068818 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50119374 COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1
BDBM50119377 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50119378 COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1
BDBM50205901 Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
BDBM50190186 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
BDBM50169258 C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N
BDBM50205902 OCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50146360 CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
BDBM50205897 COc1cccc2C3CNCCN3C(=O)c12
BDBM50205898 CCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205899 C[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
BDBM50205900 COc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
BDBM50073444 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
BDBM50028124 COc1ccc2c(CCN)c[nH]c2c1
BDBM50004337 Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
BDBM34142 CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
BDBM50156978 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(=O)(=O)N(C)C
BDBM50254790 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50244213 CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
BDBM50051562 COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
BDBM50142455 Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)c(F)c1
BDBM50142459 COc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1
BDBM50108303 Clc1cccc2cc3CNCCn3c12
BDBM50108311 COc1ccc2cc3CNCCn3c2c1
BDBM50108312 CC(N)Cn1ccc2ccc3ccccc3c12
BDBM50108313 COc1ccc2n(CCN(C)C)ccc2c1
BDBM50108314 COc1c2CNCCn2c2ccc(Cl)cc12
BDBM50108315 Clc1ccc2cc3CNCCn3c2c1
BDBM50108316 COc1ccc2n3CCNCc3cc2c1
BDBM50108319 CC(CN)n1ccc2ccc3ccccc3c12
BDBM50108320 COc1ccc2ccn(CCN(C)C)c2c1
BDBM50108317 CN(C)CCn1ccc2cc(F)c(F)cc12
BDBM50108318 COc1cccc2cc3CNCCn3c12
BDBM50105101 Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105102 CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105103 Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105104 CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50038688 COc1ccc2[nH]cc(CCNCc3ccc(N)cc3)c2c1
BDBM50038687 COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1
BDBM50190193 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|
BDBM50190203 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
BDBM50169259 C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
BDBM50169261 C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
BDBM50169262 Cc1c2N3CCNC[C@@H]3Cc2ccc1Cl
BDBM50169263 C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
BDBM50169264 C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
BDBM50169265 Clc1ccc2CC3CNCCN3c2c1
BDBM50169266 C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
BDBM50169267 Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
BDBM50169268 C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
BDBM50169269 C[C@@H]1CNC[C@@H]2Cc3ccc(C)c(C)c3N12
BDBM50185474 OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
BDBM50005251 COc1ccc(OC)c(CC(C)N)c1
BDBM50005253 COc1cc(OC)c(OC)cc1CC(C)N
BDBM50108686 OC(CCc1ccccc1)CN1CCC2(CC1)CCc1cc(F)ccc1O2
BDBM50108690 Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50185473 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50176274 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
BDBM50176275 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
BDBM50176276 COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
BDBM50146341 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1OCc1ccccc21
BDBM50146353 C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
BDBM50146354 OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
BDBM50146355 CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50146356 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50038666 COc1cc(CCNCc2ccc(Cl)cc2)c(OC)cc1Br
BDBM50169270 C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12
BDBM50169271 C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
BDBM50171681 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
BDBM50014990 COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1
BDBM50014994 COc1cc(C#N)c(OC)cc1CC(C)N
BDBM50257395 NC[C@H]1C[C@@H]1c1cccc(c1)C(F)(F)F |r|
BDBM50257396 COc1cccc(c1)[C@H]1C[C@@H]1CN |r|
BDBM50257397 NC[C@H]1C[C@@H]1c1cccc(O)c1 |r|
BDBM50257398 NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
BDBM50257399 NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 |r|
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50017721 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
BDBM50144836 CCSc1ccc2CCN(C[C@H](C)N)c2c1
BDBM50144837 C[C@H](N)CN1CCc2ccc(Cl)cc12
BDBM50144838 C[C@H](N)CN1CCc2cc(F)c(I)cc12
BDBM50144839 CCSc1cc2N(C[C@H](C)N)CCc2cc1F
BDBM50144840 C[C@H](N)CN1CCc2ccc(Br)cc12
BDBM50144841 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
BDBM50144842 C[C@H](N)CN1CCc2ccc3OCCc3c12
BDBM50144843 C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
BDBM50144844 C[C@H](N)CN1CCc2ccc3OCCCc3c12
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50090647 C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50068612 CC(N)Cc1c2ccoc2c(Br)c2ccoc12
BDBM50176264 C[C@H](N)Cn1ccc2ccc3cccnc3c12
BDBM50176265 C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
BDBM50256781 NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl |r|
BDBM50256782 Cc1cc(ccc1F)[C@H]1C[C@@H]1CN |r|
BDBM50256783 Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN |r|
BDBM50256779 NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
BDBM50256780 NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r|
BDBM50233471 CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50162952 CN1CCN(CC1)C1=Cc2ccccc2Cn2cccc12 |t:8|
BDBM50246182 CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246183 CN(C)Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246184 CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246185 CN(C)Cc1cc(CC(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246186 CSc1ccc(Oc2ccccc2CN(C)C)cc1
BDBM50205788 Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)cc1
BDBM50205789 Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
BDBM50205790 Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)c(F)c1
BDBM50205791 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)cc1
BDBM50205792 Fc1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccncc2)nc1
BDBM50205793 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(F)c1
BDBM50205794 COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
BDBM50205795 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
BDBM50205796 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(c1)C#N
BDBM50205797 Fc1ccc(CCc2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
BDBM50113339 [O-][N+](=O)c1ccc(cc1)C(=O)C1CCN(CCc2ccccc2)CC1
BDBM50113340 OC(C1CCN(CCc2cccc(I)c2)CC1)c1ccc(F)cc1
BDBM50179082 C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
BDBM50179083 C[C@H](O)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
BDBM50179084 CCO[C@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
BDBM50179085 C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C#N
BDBM50179086 C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
BDBM50179087 CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
BDBM50194841 CCN(CC)C1=NCCN=C(C1)c1ccccc1F |c:9,t:5|
BDBM50194842 CCC1(CCCC1)NC1=NCCN=C(C1)c1ccccc1F |c:13,t:9|
BDBM50194843 CC(C)(C)NC1=NCCN=C(C1)c1ccccc1Cl |c:9,t:5|
BDBM50194844 CC(C)(C)NC1=NCCN=C(C1)c1cccc(c1)C(F)(F)F |c:9,t:5|
BDBM50194845 CCC(CC)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1F |c:12,t:8|
BDBM50194846 Cc1ccccc1C1=NCCN=C(C1)NC(C)(C)C |c:12,t:8|
BDBM50194847 CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1 |w:7.7,c:11|
BDBM50086052 COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086053 COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cnccc3C)c2cc1C(F)(F)F
BDBM50086054 COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3C)c2cc1C(F)(F)F
BDBM50086055 CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1
BDBM50113337 OC(C1CCN(CCc2ccc(I)cc2)CC1)c1ccc(F)cc1
BDBM50194848 Cc1ccc(cc1)C1=NCCN=C(C1)N1CCOCC1 |c:12,t:8|
BDBM50194849 COc1ccc(cc1)C1=NCCN=C(C1)NC(C)(C)C |c:13,t:9|
BDBM50194850 CC1(CCCCC1)NC1=NCCN=C(C1)c1ccc(F)cc1 |c:13,t:9|
BDBM50194851 Cc1ccc(cc1)C1=NCCN=C(C1)N1CCNCC1 |c:12,t:8|
BDBM50194852 CC(C)(C)NC1=NCCN=C(C1)c1ccc(F)cc1 |c:9,t:5|
BDBM50194853 CC(C)(Cc1ccccc1)NC1=NCCN=C(C1)c1ccccc1F |c:16,t:12|
BDBM50130097 C1C2CCNCCN2c2ccccc12
BDBM50130095 Cn1c2CCNCCc2c2ccccc12
BDBM50130096 Clc1cc2CC3CCNCCN3c2c(c1)-c1ccccc1Cl
BDBM50194828 Cc1ccc(cc1)C1=NCCN=C(C1)NC(C)(C)Cc1ccccc1 |c:12,t:8|
BDBM50194829 CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F |w:7.7,c:11|
BDBM50194830 CCC(C)(CC)NC1=NCCN=C(C1)c1ccccc1F |c:11,t:7|
BDBM50194831 Cc1ccc(c(C)c1)C1=NCCN=C(C1)NC(C)(C)C |c:13,t:9|
BDBM50194832 CCC(C)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1 |c:11,t:7|
BDBM50113324 Fc1ccc(cc1)C(=O)C1CCN(CCc2ccc(I)cc2)CC1
BDBM50113325 Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
BDBM50113338 Fc1ccc(cc1)C(=O)C1CCN(Cc2ccccc2I)CC1
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50001859 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50130089 Clc1ccccc1-c1cccc2CC3CCNCCN3c12
BDBM50130090 Fc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130091 COc1ccc(Cl)cc1-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130092 Clc1ccc(c(Cl)c1)-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130093 CCOc1ccccc1-c1ccc2CC3CCNCCN3c2c1
BDBM50130094 CCCN1CCc2cc3ccccc3n2CC1
BDBM50130087 C1Cc2cc3ccccc3n2CCN1
BDBM50130088 FC(F)(F)c1ccccc1-c1cccc2CC3CCNCCN3c12
BDBM50171678 CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(C)cc12
BDBM50171679 CC1CC(=O)N(C)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
BDBM50171680 COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
BDBM50185783 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
BDBM50185784 Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
BDBM50185785 Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50108691 Fc1ccc(CCN2CCC3(CC2)CCc2ccc(F)cc2O3)c(F)c1
BDBM50108692 O=S(=O)(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50108693 Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1
BDBM50108694 Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
BDBM50108695 O=C1NCCN1CCN1CCC(CC1)S(=O)(=O)c1ccccc1
BDBM50184588 FC(F)(F)c1cccc(c1)[C@H]1CC[C@H]2CNC[C@@H]12
BDBM50184590 Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
BDBM50184592 FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
BDBM50184596 C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
BDBM50007406 FC(F)(F)c1cccc(c1)N1CCNCC1
BDBM50007407 C1CN(CCN1)c1cccc2ccccc12
BDBM50115071 COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
BDBM50234920 NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
BDBM50209971 CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
BDBM50209974 CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
BDBM50039947 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50021265 O=c1[n-]oc2CC[NH2+]CCc12
BDBM50144835 CSc1ccc2CCN(C[C@H](C)N)c2c1
BDBM50246134 CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
BDBM50246135 CNCc1cc(ccc1Oc1ccc(C)cc1)C(F)(F)F
BDBM50246136 CNCc1cc(F)ccc1Oc1ccccc1
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50205798 Fc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
BDBM50205799 Oc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
BDBM50205800 Fc1cccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c1
BDBM50205801 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(Cl)c1
BDBM50205802 Fc1ccc(CCc2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
BDBM50240797 CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
BDBM50241702 CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:22|
BDBM50175461 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
BDBM50175465 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
BDBM50194835 CC(C)(C)NC1=NCCN=C(C1)c1ccc(cc1)C#N |c:9,t:5|
BDBM50194836 CC(C)(N=C1CC(=NCCN1)c1ccc(F)cc1F)C1CCC1 |w:3.2,c:6|
BDBM50194837 CC(C)(C)NC1=NCCN=C(C1)c1ccccc1 |c:9,t:5|
BDBM50194838 CCN(CC)C1=NCCN=C(C1)c1ccc(C)cc1 |c:9,t:5|
BDBM50194839 Cc1ccc(c(F)c1)C1=NCCN=C(C1)NC(C)(C)C |c:13,t:9|
BDBM50194840 CC(C)(C)CNC1=NCCN=C(C1)c1ccccc1F |c:10,t:6|
BDBM50246282 CNC(C)c1ccccc1Oc1ccc(Cl)cc1
BDBM50205782 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2cccc(F)c2)cc1
BDBM50194834 Cc1ccc(cc1)C1=NCCN=C(C1)NC(C)(C)C |c:12,t:8|
BDBM50246229 CC(N(C)C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246278 CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246279 CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246280 CNCc1ccc(F)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246281 CNC(C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
BDBM50205783 Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)c(F)c1
BDBM50205784 Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)cc1
BDBM50205785 Cc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
BDBM50205786 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)cc1
BDBM50205787 Oc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
BDBM50248910 COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:32,TLB:29:28:20.19:25.24|
BDBM50174002 FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
BDBM50211164 O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
BDBM50211166 COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
BDBM50053691 CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
BDBM50174003 COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
BDBM50256784 Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 |r|
BDBM50256785 Cc1cccc([C@H]2C[C@@H]2CN)c1C |r|
BDBM50256786 Cc1ccc(cc1C)[C@H]1C[C@@H]1CN |r|
BDBM50187381 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50174004 Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
BDBM50174005 FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
BDBM50174007 FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
BDBM50174008 Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
BDBM50174010 Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1Cl
BDBM50174011 FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
BDBM50161617 COc1ccc2CCNCC(C)c2c1
BDBM50161618 CC1CNCCc2cc(OCc3ccccc3)c(Br)cc12
BDBM50161619 COc1cc2CCNCC(C)c2cc1C(F)(F)F
BDBM50161620 COc1cc2CCNCC(C)c2cc1Br
BDBM50161621 CC1CNCCc2c(Cl)cccc12
BDBM50161622 CC1CNCCc2ccc(Br)cc12
BDBM50161623 CCC1CNCCc2cc(OC)c(Br)cc12
BDBM50161624 COc1cc2CCNC[C@@H](C)c2cc1Br
BDBM50161625 CC1CNCCc2ccccc12
BDBM50161626 CC1CNCCc2cc(O)c(Br)cc12
BDBM50161627 CC1CNCCc2ccc(F)cc12
BDBM50161628 CC1CNCCc2ccc(Cl)cc12
BDBM50161629 CC1CNCCc2ccc(Cl)c(Cl)c12
BDBM50161630 CC(C)Oc1cc2CCNCC(C)c2cc1Br
BDBM50161631 CC1CNCCc2cccc(Cl)c12
BDBM50161632 COc1cc2CCNCCc2cc1Br
BDBM50161633 CC1CNCCc2cc(F)c(Cl)cc12
BDBM50161634 C[C@H]1CNCCc2ccc(Cl)c(Cl)c12
BDBM50161635 CCOc1cc2CCNCC(C)c2cc1Br
BDBM50161636 C[C@@H]1CNCCc2ccc(Cl)c(Cl)c12
BDBM50161637 COc1cc2CCNC[C@H](C)c2cc1Br
BDBM50161638 COc1cc2CCNCC(C)c2cc1Cl
BDBM50161639 CC1CNCCc2ccc(Cl)c(F)c12
BDBM50161641 CC1CNCCc2cc(Cl)c(Cl)cc12
BDBM50161642 CC1CNCCc2cc(Cl)ccc12
BDBM50161643 COc1cc2CCNCC(C)c2cc1I
BDBM50161644 COc1ccc2C(C)CNCCc2c1
BDBM50161645 Clc1ccc2CCNCCc2c1
BDBM50161646 C[C@H]1CNCCc2ccc(Cl)cc12 |r|
BDBM50161647 C[C@@H]1CNCCc2ccc(Cl)cc12
BDBM50161648 CC1CNCCc2c(Cl)cc(Cl)cc12
BDBM50161649 CC1CNCCc2ccc(cc12)C(F)(F)F
BDBM50002107 CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
BDBM50003359 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
BDBM50174000 Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
BDBM50174001 Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
BDBM50125160 Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3OCCN2c13
BDBM50125161 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13
BDBM50125162 CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50119872 Nc1nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(N)c1Cc1ccccc1
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50180252 COc1ccc2cnn(C[C@H](C)N)c2c1
BDBM50180253 C[C@H](N)Cn1ncc2ccc(O)c(C)c12
BDBM50180254 C[C@H](N)Cn1ncc2ccc(O)c(I)c12
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50125159 Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125153 CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125154 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13
BDBM50125155 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13
BDBM50125156 Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCN2c13
BDBM50034271 FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002334 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50274082 NCC1c2ccccc2Cc2cc(O)ccc12
BDBM50274137 CCCCCCc1ccc(CCN)cc1
BDBM50014996 COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
BDBM50014997 CCCCCCc1cc(OC)c(CC(C)N)cc1OC
BDBM50014999 COc1cc(Cc2ccccc2)c(OC)cc1CC(C)N
BDBM50015002 COc1cc(CC(C)N)c(OC)cc1O
BDBM50016900 CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
BDBM50016950 COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC
BDBM50159180 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
BDBM50159187 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
BDBM50176266 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
BDBM50176267 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
BDBM50176268 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
BDBM50125157 Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125158 Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50167760 CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50167761 CN(C)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
BDBM50130290 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
BDBM50257235 NC[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50119867 COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
BDBM50119868 COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4C)CC3)nc2N)cc1
BDBM50119869 Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1
BDBM50119870 COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc1
BDBM50119871 COc1cccc(Cc2c(N)nc(SCCN3CCN(Cc4cccc(c4)C(F)(F)F)CC3)nc2N)c1
BDBM50125170 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13
BDBM50125171 Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13
BDBM50125172 O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1
BDBM50125173 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50125174 Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
BDBM50122048 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
BDBM50014210 CC(N)Cc1c[nH]c2ccccc12
BDBM50167753 Cc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
BDBM50167754 CN(C)C[C@H]1C[C@@H]2[C@@H](O1)c1ccccc1Oc1ccccc21
BDBM50167755 CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50167756 Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)C#N)O[C@@H]3c2c1
BDBM50167758 Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCC4=O)O[C@@H]3c2c1
BDBM50167759 COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1
BDBM50278009 C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
BDBM50034200 OC(C1CCN(CCCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM50034203 O=C(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50001775 [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50194854 CC(C)(C)NC1=NCCN=C(C1)c1ccc(F)cc1F |c:9,t:5|
BDBM50194855 CC(C)(C)NC1=NCCN=C(C1)c1ccccc1F |c:9,t:5|
BDBM50132116 Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
BDBM50176271 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
BDBM50176272 C[C@H](N)Cn1ccc2ccc3ncccc3c12
BDBM50176273 C[C@H](N)Cn1ccc2ccc3cnccc3c12
BDBM50172421 CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
BDBM50108307 C1Cn2c(CN1)cc1ccccc21
BDBM50108308 CN(C)CCn1ccc2ccccc12
BDBM50108309 CC(N)Cc1c[nH]c2ccc3ccccc3c12
BDBM50176269 C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
BDBM50176270 C[C@H](N)Cn1ccc2ccc3ccncc3c12
BDBM50108304 Clc1ccc2n3CCNCc3cc2c1
BDBM50108305 C1Cn2c(CN1)nc1ccccc21
BDBM50108306 C[C@H](N)Cn1ccc2cc(F)c(F)cc12
BDBM50108310 Cc1c2CNCCn2c2ccc(Cl)cc12
BDBM50179076 C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N12
BDBM50179077 C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12
BDBM50179078 COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
BDBM50179079 C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C(F)(F)F
BDBM50179080 C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
BDBM50179081 C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12
BDBM50154705 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
BDBM50005249 CCCc1cc(OC)c(CC(C)N)cc1OC
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50179073 C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
BDBM50179074 COc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
BDBM50179075 Clc1ccc2CC3CNCCN3c2n1
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50180255 C[C@H](N)Cn1ncc2ccc(O)c(Cl)c12
BDBM50180256 C[C@@H](N)Cn1ncc2ccc(O)cc12
BDBM50180257 NCCn1ncc2ccc(O)cc12
BDBM50017452 Clc1cncc(n1)N1CCNCC1
BDBM50169838 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50169839 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
BDBM50169840 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
BDBM50169841 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
BDBM50108687 COc1ccc2OC3(CCN(CCN4CCNC4=O)CC3)CCc2c1
BDBM50108688 COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
BDBM50130098 CCN1CCc2cc3ccccc3n2CC1
BDBM50167898 O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
BDBM50059890 COc1c2OCCc2c(CCN)c2CCOc12
BDBM50059891 COc1cc(CCN)cc(OC)c1OC
BDBM50059892 COc1cc(CCN)c2CCOc2c1OC
BDBM50059893 CCOc1c(OC)cc(CCN)cc1OC
BDBM50152314 O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
BDBM50115010 O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1cccc(c1)C#N
BDBM50010594 CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
BDBM50103142 Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
BDBM50005267 COc1cc(CCN)c(OC)cc1Br
BDBM50036756 OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
BDBM50036760 Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
BDBM50005265 COc1cc(CC(C)N)c(OC)cc1C
BDBM50241050 NCCc1c[nH]c2cc(F)ccc12
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50122716 CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
BDBM50119862 COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccc(C)cc4)CC3)nc2N)cc1
BDBM50119863 Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1Cl
BDBM50119864 COc1cc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc(OC)c1OC
BDBM50119865 CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
BDBM50119866 CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
BDBM50119873 Nc1nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc(N)c1Cc1ccccc1O
BDBM50119874 COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1N
BDBM50119875 Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1O
BDBM50095027 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
BDBM50095028 C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
BDBM50014945 CC(N)Cc1c[nH]c2ccc(O)cc12
BDBM50146339 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
BDBM50146340 CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
BDBM50146342 CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
BDBM50146343 Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
BDBM50146344 CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
BDBM50146345 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
BDBM50146346 C(C1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21)N1CCC(CC1)c1ccccc1
BDBM50146347 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
BDBM50146348 CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50146350 CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
BDBM50146351 CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50146352 CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50146357 CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50146358 C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCC(CC1)c1ccccc1
BDBM50146359 Clc1cccc(c1)N1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
BDBM50081701 CN(C)CCc1c[nH]c2cccc(O)c12
BDBM50004327 OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50007559 O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
BDBM50078561 CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50194747 COc1cc(Br)c(OC)c2C[C@@H](CN)c12
BDBM50194748 COc1cc(Br)c2OC[C@H]3CCC[C@@H](CN)c1c23
BDBM50194749 COc1cc(Br)c2OC[C@H]3CCC[C@H](CN)c1c23
BDBM50194750 COc1cc(Br)c(OC)c2C[C@H](CN)c12
BDBM50194751 COc1cc(Br)c(OC)c2CCC(CN)c12
BDBM50194752 COc1cc(Br)c(OC)c2CC(CN)c12
BDBM50172414 CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
BDBM50014988 COc1cc(CC(C)N)c(OC)cc1F
BDBM50014989 COc1cc(c(OC)cc1CC(C)N)C(C)(C)C
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50102325 CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12 |t:8|
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50108707 Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
BDBM50108708 O=S(=O)(C1CCN(CCCc2ccccc2)CC1)c1ccccc1
BDBM50108709 Fc1ccc(CCN2CCC3(CC2)Oc2ccc(F)cc2C=C3)c(F)c1 |c:23|
BDBM50108710 Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)S(=O)(=O)c1ccccc1
BDBM50108711 Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
BDBM50108712 Fc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(ccc2O3)C#N)c(F)c1
BDBM50108713 C(Cc1ccccc1)N1CCC2(CC1)CCc1ccccc1O2
BDBM50108714 Fc1ccc2OC3(CCN(CC3)C3CCc4ccccc4C3)CCc2c1
BDBM50277955 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
BDBM50143087 NCC1CC1c1ccccc1
BDBM50167765 CCOC(=O)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
BDBM50167766 CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
BDBM50167767 CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50167768 CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
BDBM50167769 Nc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
BDBM50167770 Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)-c4ccccc4)O[C@@H]3c2c1
BDBM50167771 Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(CN6CCOCC6)cc45)O[C@@H]3c2c1
BDBM50100425 CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50310096 COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1
BDBM50167763 CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50167764 Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1
BDBM50086066 COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccccc3)c2cc1C(F)(F)F
BDBM50086067 COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
BDBM50086068 COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086069 COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2cc1C(F)(F)F
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50249134 CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
BDBM50261124 FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50261126 COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50245791 CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1
BDBM50245792 CNCc1ccc(Cl)cc1Oc1cccc(Cl)c1
BDBM50245793 CNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1
BDBM50297304 CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1 |c:5|
BDBM50297305 CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
BDBM50260981 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50069041 Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
BDBM50248963 CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2cccc(Cl)c2)C1=O |THB:7:6:10.9:1.2|
BDBM50266829 Clc1cccc(N2CCN(CCCCN3CCCc4ccccc4C3=O)CC2)c1Cl
BDBM50180258 C[C@H](N)Cn1ncc2ccc(O)c(F)c12
BDBM50161214 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50310097 C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12
BDBM50310098 C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1
BDBM50310099 C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50024396 COc1cc(CC(C)N(C)C)c(OC)cc1Br
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50068516 COc1ccc2[nH]cc(C(C)CN)c2c1
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50297306 CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
BDBM50248931 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccn2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50246533 CNC(C)c1ccc(Cl)cc1Oc1ccc(C)c(C)c1
BDBM50246534 CNCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1
BDBM50246535 CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50060417 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
BDBM50060418 CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
BDBM50185782 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
BDBM50185772 Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50185773 Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
BDBM50185774 Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
BDBM50185775 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
BDBM50185776 OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
BDBM50086051 COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086057 COc1cc2CCN(C(=O)Nc3cc(cc(c3)-c3cccnc3)-c3ccccc3)c2cc1C(F)(F)F
BDBM50086058 COc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
BDBM50086059 COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F
BDBM50086060 COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086061 COc1cc2CCN(C(=O)Nc3cccc(c3)-c3ccccn3)c2cc1C(F)(F)F
BDBM50086062 COc1cc2CCN(C(=O)Nc3cc(Br)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50167762 COc1ccc2Oc3ccccc3[C@@H]3C[C@@H](CN(C)C)O[C@@H]3c2c1
BDBM50187673 COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
BDBM50086063 COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
BDBM50086064 COc1ccc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc1-c1cccnc1
BDBM50086065 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
BDBM50086070 COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086071 COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
BDBM50086072 COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086073 COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F
BDBM50086074 COc1cc2CCN(C(=O)Nc3ccc(nc3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50260644 COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50262930 Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
BDBM50257621 Clc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
BDBM50269979 CC[C@@H]1O[C@@](\C=C\C2CC2)(c2c(F)c(F)ccc2NC1=O)C(F)(F)F |r|
BDBM50307811 Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
BDBM50307812 COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C |(3.23,5.95,;3.24,4.41,;1.91,3.64,;.56,4.41,;-.76,3.63,;-.76,2.1,;-2.09,1.32,;-3.42,2.09,;-3.43,3.63,;-4.76,1.32,;-6.09,2.09,;-7.43,1.32,;-8.76,2.09,;-8.76,3.63,;-10.09,4.4,;-7.43,4.4,;-6.1,3.64,;.58,1.33,;1.91,2.1,;3.24,1.33,;3.4,-.2,;2.25,-1.22,;4.9,-.51,;5.67,.82,;4.64,1.96,;4.95,3.47,)|
BDBM50307813 Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
BDBM50248785 CCOC12CCC(C3C1C(=O)N(CCCCN1CCN(CC1)c1ccccc1OC)C3=O)C(=O)C2 |THB:33:32:8.7:5.4|
BDBM50248787 COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CCC3C=C2)OC)CC1 |c:30|
BDBM50248788 COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:32,TLB:29:28:20.19:25.24|
BDBM50231437 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2|
BDBM50231438 O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:11.11|
BDBM50231439 Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231440 O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231441 CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:5.4|
BDBM50231442 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1 |w:3.2|
BDBM50231443 CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50248883 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
BDBM50248884 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccc(F)cc2)C1=O |THB:7:6:10.9:1.2|
BDBM50248885 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(Cc3ccccc3)CC2)C1=O |THB:7:6:10.9:1.2|
BDBM50248886 COc1ccccc1N1CCN(CCCN2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:31,TLB:28:27:19.18:24.23|
BDBM50248820 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50064703 C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
BDBM50064705 COc1cc(Br)c2OC[C@@H]3C[C@@H](N)Cc1c23
BDBM50060437 Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50100420 Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50231444 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1 |w:3.2|
BDBM50231445 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1 |w:3.2|
BDBM50231446 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1 |w:3.2|
BDBM50091438 Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
BDBM50097638 NCCCN1c2ccccc2CCc2ccccc12
BDBM50097640 C[N+](C)(C)CC1c2ccccc2Cc2ccccc12
BDBM50097643 NC1c2ccccc2Cc2ccccc12
BDBM50219102 Cc1cccc(n1)-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219103 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50219104 Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50219105 COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
BDBM50219106 [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219107 COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50185781 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
BDBM50185777 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
BDBM50185778 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
BDBM50185779 Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1 |c:25|
BDBM50185780 Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
BDBM50086056 COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
BDBM50086096 CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
BDBM50131357 Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
BDBM50131359 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50144656 C1CC(CN1)(c1ccccc1)c1ccccc1
BDBM50144657 C1CC2(CN1)c1ccccc1Cc1ccccc21
BDBM50144658 C1CC2(CN1)c1ccccc1CCc1ccccc21
BDBM50144659 C1CNCC2(C1)c1ccccc1Cc1ccccc21
BDBM50257457 NC[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
BDBM50257458 Cc1ccc(cc1)[C@H]1C[C@@H]1CN |r|
BDBM50144660 C1CC(CN1)c1ccccc1
BDBM50144661 C1CC2(CN1)CCCc1ccccc21
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50131351 COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50245796 CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1
BDBM50197829 COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
BDBM50257636 COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
BDBM50064706 COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
BDBM50064708 COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50093777 CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
BDBM50052337 CC(N)Cc1c2CCOc2c(Br)c2CCOc12
BDBM50119386 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
BDBM50119387 COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1
BDBM50119381 COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1
BDBM50119382 COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1
BDBM50119384 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
BDBM50119385 COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
BDBM50119390 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
BDBM50119391 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
BDBM50119392 COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50259226 COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccccc1)c23
BDBM50257461 NC[C@H]1C[C@@H]1c1cccc(F)c1F |r|
BDBM50257462 NC[C@H]1C[C@@H]1c1ccc(F)cc1F |r|
BDBM50257463 NC[C@H]1C[C@@H]1c1c(F)cccc1F |r|
BDBM50257464 NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 |r|
BDBM50265376 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50262929 Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
BDBM50257391 NC[C@H]1C[C@@H]1c1cccc(F)c1 |r|
BDBM50257392 NC[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
BDBM50257393 NC[C@H]1C[C@@H]1c1cccc(Br)c1 |r|
BDBM50257394 Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
BDBM50068509 CC(CN)c1c[nH]c2ccccc12
BDBM50068510 COc1ccc2[nH]cc(C3CC3N)c2c1
BDBM50058225 Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
BDBM50131346 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131347 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50248907 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50248908 COc1ccccc1N1CCN(CCCN2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:29:28:19.18:25.24|
BDBM50248909 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
BDBM50248786 COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(CC(=O)C3C(C)(C)C2)OC(C)=O)CC1 |TLB:26:25:20.19:28.31|
BDBM50231447 CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3|
BDBM50231448 CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4|
BDBM50260540 Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50158032 Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
BDBM50246536 CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1
BDBM50246537 CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1
BDBM50169848 Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
BDBM50130066 FC(F)(F)C(=O)c1c2CCNCCn2c2ccccc12
BDBM50130067 CCOc1ccccc1-c1cccc2CC3CCNCCN3c12
BDBM50130068 C[C@H](N)Cn1ccc2ccc(F)cc12
BDBM50130069 Cc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
BDBM50130070 Cc1c2CCNCCn2c2ccccc12
BDBM50027065 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
BDBM50057128 COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
BDBM50113331 Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
BDBM50113332 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
BDBM50113333 OC(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)[N+]([O-])=O
BDBM50113334 OC(C1CCN(Cc2cccc(I)c2)CC1)c1ccc(F)cc1
BDBM50113335 OC(C1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1
BDBM50113336 Fc1ccc(cc1)C(=O)C1CCN(Cc2ccc(I)cc2)CC1
BDBM50142463 O=C(NCCCN1CCCC(Cc2ccccc2)C1)Nc1cccc(c1)C#N
BDBM50142464 Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
BDBM50142465 Fc1ccccc1CC1CCCN(CCCNC(=O)Nc2cccc(c2)C#N)C1
BDBM50142466 Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50169846 Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50169847 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1
BDBM50205858 CCc1cc2[C@@H]3CNCCN3C(=O)c2cc1OC
BDBM50205859 FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
BDBM50205860 Oc1cccc2C3CNCCN3C(=O)c12
BDBM50205861 FC(F)(F)c1cccc2[C@@H]3CNCCN3C(=O)c12
BDBM50205862 FC(F)(F)c1cc(C=C)cc2[C@@H]3CNCCN3C(=O)c12
BDBM50205863 CC(=O)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205864 FC(F)(F)c1cccc2C3CNCCN3C(=O)c12
BDBM50205865 CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
BDBM50205866 COc1cc2C(=O)N3CCNC[C@H]3c2cc1Cl
BDBM50205867 CSc1cccc2C3CNCCN3C(=O)c12
BDBM50205868 Fc1cccc2C3CNCCN3C(=O)c12
BDBM50205869 FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C#C
BDBM50205870 Clc1cccc2C3CNCCN3C(=O)c12
BDBM50205871 Cc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205872 COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
BDBM50205873 CC1(C)CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
BDBM50205874 O=C1N2CCNCC2c2cccc(C#N)c12
BDBM50194833 CCC(C)(CC)NC1=NCCN=C(C1)c1ccc(C)cc1 |c:11,t:7|
BDBM50246371 COc1ccc(CN(C)C)c(Oc2ccc(Cl)c(Cl)c2)c1
BDBM50246372 CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#N
BDBM50246373 CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC
BDBM50246374 CNCc1cc(C)c(C)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50105105 Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105107 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
BDBM50105109 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105110 O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
BDBM50246430 CNCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1
BDBM50246431 CNCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1
BDBM50246432 CNC(C)c1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
BDBM50246433 CNC(C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50130338 COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
BDBM50256778 NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F |r|
BDBM50245794 CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
BDBM50245795 CNCc1ccc(Cl)cc1Oc1ccc(F)c(c1)C(F)(F)F
BDBM50169842 Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
BDBM50169844 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1
BDBM50169845 Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
BDBM50205875 CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
BDBM50205876 CCOc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
BDBM50205877 C[C@@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
BDBM50205878 CN1CCN2[C@@H](C1)c1cccc(c1C2=O)C(F)(F)F
BDBM50130426 CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50246320 CNCc1cc(OC)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246321 CNCc1cc(F)ccc1Oc1ccc(Cl)cc1
BDBM50246322 CNC(C)c1cc(F)ccc1Oc1ccc(Cl)cc1
BDBM50246375 CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C#N
BDBM50246376 CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(N)=O
BDBM50312766 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
BDBM50178623 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50074171 O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
BDBM50097217 NCC1c2ccccc2C=Cc2ccccc12 |c:10|
BDBM50097219 NCC1c2ccccc2CCc2ccccc12
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
BDBM50088875 Cc1c(CCN)c2cccc3CCCn1c23
BDBM50088876 CNCCc1cn2C(C)CCc3cc(F)cc1c23
BDBM50248851 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(Cc3ccccc3)CC2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50248852 COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:30:29:20.19:26.25|
BDBM50248853 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O |THB:7:6:10.9:1.2|
BDBM50248854 CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccn2)C1=O |THB:7:6:10.9:1.2|
BDBM50261027 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
BDBM50253549 OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50256963 NC[C@H]1C[C@@H]1c1cccc(c1)C#C |r|
BDBM50113327 OC(C1CCN(Cc2ccccc2I)CC1)c1ccc(F)cc1
BDBM50113328 Fc1ccc(cc1)C(=O)C1CCN(Cc2cccc(I)c2)CC1
BDBM50113329 OC(C1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
BDBM50113330 OC(C1CCN(CCc2ccccc2I)CC1)c1ccc(F)cc1
BDBM50274083 CCCCCCc1ccc2C(CN)c3ccc(OC)cc3Cc2c1
BDBM50159109 C1CC1N1CCN(CC1)c1ccc2ccccc2n1
BDBM50159114 O=C(C1CC1)c1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
BDBM50074156 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
BDBM50139353 CN(C)CCSC(C)(C)C
BDBM50074159 C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
BDBM50246234 CNCc1ccccc1Oc1ccc(C)c(C)c1
BDBM50246323 CN(C)Cc1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246324 CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246325 CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1
BDBM50246326 CNCc1cc(OC)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246235 CNCc1ccccc1Oc1ccc(Cl)cc1
BDBM50190062 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
BDBM50315020 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
BDBM50315021 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
BDBM50315022 Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315023 Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315024 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
BDBM50315025 Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315026 Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315027 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
BDBM50162956 CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50162957 CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162958 CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
BDBM50162959 CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162960 CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50162961 CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50312767 COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312768 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM50312769 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50312770 O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
BDBM50312771 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312772 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312773 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
BDBM50312774 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM50312775 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
BDBM50312776 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50312777 COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312778 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
BDBM50312779 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
BDBM50312780 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
BDBM50248933 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2F)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50248934 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2cccc(Cl)c2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50292383 CC[C@@]12CCCN3CC[C@@]4([C@H]13)C(=Nc1ccccc41)C(C2)C(=O)OC |r,c:13|
BDBM50292384 CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C([O-])=O)[C@H]23 |r|
BDBM50292385 CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C(=O)OC)[C@H]23 |r|
BDBM50319413 Cn1nccc1-c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCC1
BDBM50319414 Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCCC1
BDBM50309340 FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
BDBM50309341 Clc1cccc2C(=O)NC3CNCCN3c12
BDBM50309342 O=C1NC2CCNCCN2c2ccccc12
BDBM50309343 Cc1cccc2N3CCNCCC3NC(=O)c12
BDBM50309344 Clc1cccc2N3CCNCCC3NC(=O)c12
BDBM50309345 Cc1ccc2C(=O)NC3CCNCCN3c2c1
BDBM50309346 Clc1cccc2N3CCCNCC3NC(=O)c12
BDBM50319432 COc1cccc(c1)C(=O)Nc1ccc(OCCNCCO)c(c1)-c1ccnn1C
BDBM50319433 COc1cccc(c1)C(=O)Nc1ccc(OCCN)c(c1)-c1ccnn1C
BDBM50277956 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
BDBM50319415 Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCC(F)(F)C1
BDBM50319416 Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1
BDBM50319417 Cn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1
BDBM50319418 Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1
BDBM50319419 Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1 |(-5.98,-34.34,;-5.66,-35.84,;-6.69,-36.99,;-5.92,-38.32,;-4.41,-38,;-3.26,-39.03,;-4.25,-36.47,;-2.92,-35.7,;-1.59,-36.48,;-.25,-35.7,;1.09,-36.47,;2.42,-35.7,;2.42,-34.16,;3.75,-36.47,;3.75,-38,;5.08,-38.77,;6.41,-38,;6.41,-36.45,;7.74,-35.67,;5.07,-35.69,;-.26,-34.15,;-1.59,-33.39,;-2.92,-34.16,;-4.25,-33.39,;-4.25,-31.85,;-5.59,-31.08,;-5.59,-29.54,;-4.25,-28.77,;-4.25,-27.24,;-5.58,-26.46,;-6.92,-27.23,;-6.92,-28.77,)|
BDBM50319420 Cn1nccc1-c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)ccc1OCCN1CCOCC1
BDBM50319421 Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCOCC1
BDBM50319422 Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1
BDBM50319423 COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C
BDBM50319424 Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1
BDBM50319425 Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1 |(-5.14,-22.2,;-4.83,-23.71,;-5.86,-24.85,;-5.09,-26.19,;-3.58,-25.86,;-2.43,-26.89,;-3.42,-24.34,;-2.09,-23.57,;-.75,-24.34,;.58,-23.57,;1.92,-24.34,;3.25,-23.57,;3.25,-22.03,;4.58,-24.33,;4.58,-25.87,;5.91,-26.64,;7.25,-25.87,;7.24,-24.32,;5.9,-23.56,;8.57,-23.54,;9.91,-24.3,;8.56,-22,;9.89,-22.76,;.58,-22.02,;-.76,-21.26,;-2.09,-22.03,;-3.42,-21.26,;-3.42,-19.72,;-4.76,-18.95,;-4.76,-17.41,;-3.42,-16.64,;-3.42,-15.1,;-4.75,-14.33,;-6.09,-15.09,;-7.42,-14.32,;-6.09,-16.64,)|
BDBM50319426 CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2-c2ccnn2C)CC1
BDBM50319427 CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2ccnn2C)CC1
BDBM50319428 CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1 |(-8.55,-30.04,;-9.88,-30.81,;-11.22,-30.03,;-9.89,-32.35,;-8.56,-33.12,;-8.56,-34.66,;-9.9,-35.43,;-9.9,-36.97,;-8.56,-37.74,;-8.56,-39.28,;-7.23,-40.05,;-5.9,-39.28,;-4.56,-40.04,;-4.56,-41.59,;-3.22,-42.36,;-1.89,-41.59,;-1.89,-40.05,;-.56,-42.36,;-.56,-43.89,;.77,-44.66,;2.1,-43.89,;2.1,-42.34,;3.43,-41.56,;.76,-41.58,;-5.9,-42.36,;-7.23,-41.59,;-8.56,-42.36,;-8.72,-43.89,;-7.57,-44.91,;-10.23,-44.21,;-11,-42.88,;-9.97,-41.73,;-10.28,-40.22,;-11.25,-34.66,;-11.24,-33.12,)|
BDBM50319429 COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)C(C)=O)c(c1)-c1ccnn1C
BDBM50319430 COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)C(N)=O)c(c1)-c1ccnn1C
BDBM50319431 COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)S(C)(=O)=O)c(c1)-c1ccnn1C
BDBM50274042 COc1cc(C[C@H](C)N)c(OC)cc1Br |r|
BDBM50274570 Oc1cc2C(CNCCc2c(c1O)-c1ccc2ccccc2c1)c1ccccc1
BDBM50248821 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccn2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50248822 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50248823 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccc(F)cc2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50313278 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313279 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313280 Cc1[nH]c(cc1C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
BDBM50313281 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313282 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313283 Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
BDBM50313284 Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
BDBM50313253 CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313254 Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313255 Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313256 Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313257 Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313258 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
BDBM50313259 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313260 CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313262 CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313263 Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313264 Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313265 Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313266 Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50313267 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
BDBM50313268 CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313269 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313270 CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313271 Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313272 Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313273 Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313274 Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313275 Cc1[nH]c(cc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
BDBM50313276 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313277 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50257336 Cc1ccccc1[C@H]1C[C@@H]1CN |r|
BDBM50257338 COc1ccccc1[C@H]1C[C@@H]1CN |r|
BDBM50257339 NC[C@H]1C[C@@H]1c1ccccc1O |r|
BDBM50313248 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50313249 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1)-c1ccccc1
BDBM50313250 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313251 CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313252 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50313261 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50253616 OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50253619 OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50314613 COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
BDBM50250840 CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
BDBM50250841 CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
BDBM50251611 Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
BDBM50314614 CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
BDBM50314615 C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
BDBM50314616 COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
BDBM50251647 Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
BDBM50251648 O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
BDBM50257331 NC[C@H]1C[C@@H]1c1ccccc1F |r|
BDBM50257332 NC[C@H]1C[C@@H]1c1ccccc1Cl |r|
BDBM50257333 NC[C@H]1C[C@@H]1c1ccccc1Br |r|
BDBM50257335 NCC1CC1c1ccccc1Br
BDBM50250839 CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
BDBM50253826 Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(cc1)C#N |r,t:8|
BDBM50301291 Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
BDBM50301292 Cc1nnc2c3CCNCCc3nc(Cc3ccccc3)n12
BDBM50241836 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
BDBM50306839 COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50317865 CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50248960 COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:30:29:20.19:26.25|
BDBM50263947 FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
BDBM50263369 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CC)c-31 |r|
BDBM50231456 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1 |w:3.2|
BDBM50231457 CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231458 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccccc1 |w:3.2|
BDBM50231459 CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:4.3|
BDBM50231460 CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50262678 CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
BDBM50231449 FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:7.6|
BDBM50231455 Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50129429 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
BDBM50231450 Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:10.10|
BDBM50231451 CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231452 Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231453 NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:1.0|
BDBM50251612 COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
BDBM50251613 Cc1ccc2c(c[nH]c2c1)C(=O)Nc1ccc(Oc2cccnc2C)nc1
BDBM50306821 Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306822 CC(CCN1CCN(CC1)c1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50306823 COc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306840 FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306841 Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306842 Clc1ccc(cc1Cl)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306843 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2ccccc12
BDBM50306844 FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
BDBM50306845 Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
BDBM50306846 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
BDBM50306847 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
BDBM50306848 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CC1
BDBM50306849 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
BDBM50306850 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CC1
BDBM50306851 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1ccc2ccccc2c1
BDBM50306852 COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306853 FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50309333 O=C1NC2CNCCN2c2ccccc12
BDBM50309334 Cc1cccc2N3CCNCC3NC(=O)c12
BDBM50309335 Cc1ccc2N3CCNCC3NC(=O)c2c1
BDBM50309336 Cc1ccc2C(=O)NC3CNCCN3c2c1
BDBM50309337 Cc1cccc2C(=O)NC3CNCCN3c12
BDBM50309338 Clc1cccc2N3CCNCC3NC(=O)c12
BDBM50309339 Clc1ccc2N3CCNCC3NC(=O)c2c1
BDBM50098550 C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
BDBM50098551 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
BDBM50113326 Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
BDBM50130268 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
BDBM50068511 NC1CC1c1c[nH]c2ccccc12
BDBM50068512 N[C@H]1C[C@@H]1c1c[nH]c2ccccc12
BDBM50033437 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
BDBM50262755 NCCc1ccc(Br)cc1
BDBM50277846 CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r|
BDBM50248932 CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
BDBM50091822 Clc1cc2NC(=O)C3CNCCN3c2cc1Cl
BDBM50264948 COc1cccc2Cc3ccccc3C(CN)c12
BDBM50264949 COc1ccc2Cc3ccccc3C(CN)c2c1
BDBM50264950 COc1cccc2C(CN)c3ccccc3Cc12
BDBM50278007 C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
BDBM50202291 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(C)=O)c-31 |r|
BDBM50202292 CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
BDBM50256810 Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F |r|
BDBM50264010 FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
BDBM50246531 CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
BDBM50246532 CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1
BDBM50095051 C(N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
BDBM50095053 C(Cc1ccccc1)N1C2CCC1CC(C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:0:8:14.13.15:10.11,THB:16:14:8:10.11|
BDBM50095054 O=C1NCCN1CCN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50095055 CN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50246476 CNCc1cc(F)ccc1Oc1ccc(cc1)-c1ccccc1
BDBM50246477 CNC(C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246478 CNCc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
BDBM50246479 CNCc1ccc(cc1Oc1ccc(Cl)cc1)C(F)(F)F
BDBM50246480 CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
BDBM50246481 CCc1cc(Oc2ccc(F)cc2CNC)ccc1Cl
BDBM50246482 CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
BDBM50095029 CN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50068513 N[C@@H]1C[C@H]1c1c[nH]c2ccccc12
BDBM50068514 NC1CC1c1c[nH]c2ccc(F)cc12
BDBM50068515 COc1cccc2[nH]cc(C3CC3N)c12
BDBM50095030 COC[C@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50095031 C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
BDBM50095032 C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCC1
BDBM50095033 CCN(C)CCc1c([nH]c2ccccc12)-c1cccs1
BDBM50095034 CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
BDBM50095035 CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50095036 CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50095037 COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
BDBM50088871 NCCc1cn2CCCc3cccc1c23
BDBM50088872 CC1CCc2cc(F)cc3c(CCN)cn1c23
BDBM50088873 NCCc1cn2CCSc3cc(Cl)cc1c23
BDBM50088874 CC1CCc2cc(F)cc3c(CCN)c(C)n1c23
BDBM50162962 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
BDBM50162963 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50162964 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162965 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50190049 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|
BDBM50323964 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
BDBM50323965 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2ccc(C)nc12
BDBM50323966 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccncc1
BDBM50323967 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
BDBM50323968 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Br)c1
BDBM50323969 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
BDBM50323970 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(OC)c1
BDBM50323971 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(OC)c1OC
BDBM50323972 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cc(F)ccc1F
BDBM50323973 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50323974 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
BDBM50302224 Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50274612 CN1CCc2c(cc(O)c(O)c2-c2ccc3ccccc3c2)C(C1)c1cccc(C)c1
BDBM50056445 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
BDBM50300824 NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
BDBM50300825 CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
BDBM50300828 CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
BDBM50300831 NCCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
BDBM50300838 CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
BDBM50301490 Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCCCC1
BDBM50301491 Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCCC1
BDBM50301492 Cc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)cc1
BDBM50301493 COc1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
BDBM50301494 COc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)cc1
BDBM50301495 Cn1nccc1-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCCN1CCCCC1
BDBM50302141 Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
BDBM50302145 C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
BDBM50248961 CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
BDBM50248962 CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2F)C1=O |THB:7:6:10.9:1.2|
BDBM50139351 CN(C)CCSc1cccc(n1)C1CCCCC1
BDBM50139352 CN(C)CCSc1nc(cs1)C(C)(C)C
BDBM50270453 Nc1nc(c(s1)[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1)-c1ccc(F)cc1 |r|
BDBM50324861 CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324862 CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324863 CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324865 CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
BDBM50324866 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
BDBM50324867 CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324868 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
BDBM50324870 CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50323975 CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(C)c1C
BDBM50323976 CN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)n(C)c1C
BDBM50323977 CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323978 Cc1[nH]c(c(C)c1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
BDBM50323979 Cc1c(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n(C)c1-c1ccccc1
BDBM50323980 CCCn1c(C)c(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)c1-c1ccccc1
BDBM50323981 Cc1[nH]c(c(C)c1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
BDBM50324540 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1
BDBM50324541 COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)|
BDBM50324542 Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324543 COc1ccc(NC(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C |(-7.16,5.97,;-7.15,4.43,;-5.82,3.66,;-4.5,4.43,;-3.16,3.67,;-3.15,2.12,;-1.82,1.35,;-.48,2.12,;-.49,3.66,;.85,1.35,;2.17,2.13,;3.51,1.35,;3.51,-.19,;4.84,-.96,;6.17,-.19,;7.5,-.97,;8.82,-.21,;10.15,-.97,;10.15,-2.52,;11.48,-3.29,;8.82,-3.29,;7.49,-2.51,;2.17,-.96,;.84,-.19,;-4.49,1.35,;-5.82,2.12,;-7.16,1.35,;-7.09,-.18,;-5.81,-1.03,;-8.54,-.72,;-9.49,.49,;-8.64,1.77,;-9.17,3.22,)|
BDBM50324544 Fc1ccc(CCN2CCN(CC2)C(=O)Nc2[nH]ncc2Br)cc1
BDBM50324545 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2)CC1
BDBM50324546 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2)CC1
BDBM50324547 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2F)CC1
BDBM50324548 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2cccc(F)c2)CC1
BDBM50324549 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(Cl)cc2)CC1
BDBM50324550 COc1ccc(CCN2CCN(CC2)C(=O)c2nn(C)cc2Br)cc1
BDBM50324551 Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50324552 Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)C(=O)c1nn(C)cc1Br
BDBM50324553 Cn1cc(Br)c(n1)C(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
BDBM50324554 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324555 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2F)CC1
BDBM50324556 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccccc2F)CC1
BDBM50324557 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(cc2)C(F)(F)F)CC1
BDBM50324558 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(OC(F)(F)F)cc2)CC1
BDBM50324559 Cn1cc(Br)c(n1)C(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
BDBM50324560 CO\N=C(\CN1CCN(CC1)C(=O)c1nn(C)cc1Br)c1ccc(F)cc1
BDBM50324561 Cn1ccc(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324562 Cc1c(Br)c(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324563 Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br
BDBM50324564 Cc1cc([nH]n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324565 Cc1cc(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324566 Cc1cc(nn1C(C)(C)C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324567 CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324568 Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl
BDBM50323982 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccc(Cl)cc1
BDBM50323983 Cc1c(cc(-c2ccc(Cl)cc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50324569 Cn1cc(c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1)C(F)(F)F
BDBM50324570 Cn1cc(I)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50324571 Cc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
BDBM50301486 Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
BDBM50301487 Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCCN1CCCCC1
BDBM50301488 Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1
BDBM50301489 Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1
BDBM50323984 CCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50323985 CCCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50323986 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccc(Cl)cc1
BDBM50323987 Cc1c(cc(-c2ccc(Cl)cc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323988 CCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323989 CCCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323990 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccn1
BDBM50323991 Cc1c(cc(-c2ccccn2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323992 CCCn1c(C)c(cc1-c1ccccn1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323993 Cc1c(cc(-c2cccnc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323994 CCCn1c(C)c(cc1-c1cccnc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323995 Cc1c(cc(-c2ccncc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323996 CCCn1c(C)c(cc1-c1ccncc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50323997 Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
BDBM50323998 Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50323999 Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50324000 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(C)(C)C
BDBM50324001 Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50324886 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50262881 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50302151 C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
BDBM50302160 FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
BDBM50323958 Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50323959 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50323960 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1Cl
BDBM50323961 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccccc1Br
BDBM50323962 COc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(C)c3C)CC2)c1OC
BDBM50323963 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
BDBM50304800 Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
BDBM50304801 C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
BDBM50304802 Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
BDBM50304803 Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
BDBM50304804 Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
BDBM50325667 O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
BDBM50325668 CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
BDBM50325669 CCCCNC(=O)N1OCC2COc3ccccc3C12
BDBM50325670 Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
BDBM50304805 Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
BDBM50304806 Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
BDBM50304807 C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
BDBM50302212 Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r|
BDBM50302213 Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
BDBM50302217 Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1
BDBM50304820 C1CCc2nc(ccc2C1)N1CCNCC1
BDBM50325659 Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
BDBM50325660 CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
BDBM50325661 CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
BDBM50325662 Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
BDBM50325663 CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
BDBM50325664 O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
BDBM50325665 CC(C)NC(=O)N1OCC2COc3ccccc3C12
BDBM50325666 CCCNC(=O)N1OCC2COc3ccccc3C12
BDBM52429 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
BDBM50301770 C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
BDBM50301772 C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
BDBM50323401 COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
BDBM50323402 COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
BDBM50228645 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
BDBM50228646 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
BDBM50301501 CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C
BDBM50301502 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(28.77,-15.18,;28.73,-16.71,;29.96,-17.65,;29.45,-19.1,;27.91,-19.07,;26.98,-20.29,;27.47,-17.59,;26.02,-17.07,;24.69,-17.84,;23.36,-17.07,;22.03,-17.85,;20.69,-17.08,;20.69,-15.54,;19.36,-17.85,;18.03,-17.08,;18.02,-15.53,;16.69,-14.77,;15.36,-15.54,;14.02,-14.77,;15.35,-17.08,;16.69,-17.85,;16.69,-19.39,;23.35,-15.54,;24.68,-14.76,;26.02,-15.53,;27.35,-14.76,;27.35,-13.22,;28.68,-12.44,;30.02,-13.21,;30.19,-14.73,;31.69,-15.05,;32.46,-13.71,;31.42,-12.57,)|
BDBM50301503 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(4.41,-24.98,;4.38,-26.52,;5.61,-27.45,;5.1,-28.91,;3.56,-28.87,;2.62,-30.1,;3.12,-27.4,;1.67,-26.88,;.34,-27.65,;-1,-26.88,;-2.33,-27.65,;-3.66,-26.88,;-3.67,-25.35,;-5,-27.66,;-6.33,-26.89,;-6.34,-25.34,;-7.67,-24.58,;-9,-25.35,;-10.33,-24.58,;-9,-26.89,;-7.67,-27.66,;-7.67,-29.2,;-1.01,-25.35,;.32,-24.57,;1.66,-25.34,;3,-24.56,;2.99,-23.03,;4.32,-22.25,;5.66,-23.02,;5.83,-24.54,;7.34,-24.85,;8.1,-23.52,;7.07,-22.38,)|
BDBM50301504 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)|
BDBM50301505 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(O)cc2)ccc1OCCN1CCCC1 |(4.26,-34.54,;4.23,-36.08,;5.46,-37.01,;4.95,-38.46,;3.41,-38.43,;2.47,-39.65,;2.97,-36.95,;1.52,-36.43,;.19,-37.2,;-1.15,-36.43,;-2.48,-37.21,;-3.81,-36.44,;-3.81,-34.9,;-5.14,-37.21,;-6.48,-36.44,;-7.82,-37.21,;-9.15,-36.44,;-9.15,-34.9,;-10.48,-34.13,;-7.82,-34.13,;-6.49,-34.89,;-1.15,-34.9,;.17,-34.12,;1.52,-34.89,;2.85,-34.12,;2.84,-32.58,;4.18,-31.8,;5.51,-32.57,;5.68,-34.09,;7.19,-34.41,;7.96,-33.07,;6.92,-31.93,)|
BDBM50301508 Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1
BDBM50228647 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
BDBM50228648 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
BDBM50228649 Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
BDBM50274138 NCC(c1ccccc1)c1ccc(Br)cc1
BDBM50274139 CCCCCCc1ccc(cc1)C(CN)c1ccccc1
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133230 C[C@@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133231 COc1cc(C[C@@H](C)N)c(OC)cc1I
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50139356 CN(C)CCSc1nc(cs1)-c1ccncc1
BDBM50139357 CN(C)CCSc1nc(cs1)-c1ccccc1
BDBM50219108 [O-][n+]1ccccc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219109 CC(=O)OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:4.23|
BDBM50219110 OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
BDBM50219111 OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
BDBM50219112 Clc1cccc(N2CCN(C[C@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50219113 COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50219114 Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219116 OC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
BDBM50219117 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
BDBM50278564 C(OC1CCNCC1)c1ccc2ccccc2c1
BDBM50277957 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r|
BDBM50139360 CN(C)CCSc1nc2ccccc2s1
BDBM50139361 CN(C)CCSc1cccc(Br)n1
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50301474 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCCN1CCOCC1
BDBM50301475 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCSCC1
BDBM50301476 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1
BDBM50301477 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCNCC1
BDBM50301478 CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
BDBM50301479 CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
BDBM50301480 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1
BDBM50301481 COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
BDBM50301482 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1
BDBM50301483 COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1
BDBM50301484 CC1CCCCN1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
BDBM50301485 C[C@H]1CCC[C@@H](C)N1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C |r|
BDBM50301496 Cn1nccc1-c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCCC1
BDBM50301497 CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
BDBM50301498 Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCCC1
BDBM50301499 Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
BDBM50301500 Cn1nccc1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCCCC1
BDBM50301506 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 |(27.36,-35.94,;27.33,-37.48,;28.56,-38.41,;28.05,-39.87,;26.51,-39.83,;25.57,-41.06,;26.07,-38.36,;24.62,-37.84,;23.29,-38.61,;21.95,-37.84,;20.62,-38.61,;19.29,-37.85,;19.29,-36.31,;17.96,-38.62,;16.62,-37.85,;16.61,-36.3,;15.28,-35.54,;13.95,-36.31,;12.62,-35.54,;13.95,-37.85,;15.28,-38.62,;15.28,-40.16,;21.95,-36.31,;23.27,-35.53,;24.62,-36.3,;25.95,-35.53,;25.94,-33.99,;27.28,-33.21,;28.61,-33.97,;29.37,-35.3,;30.89,-35.31,;31.67,-33.99,;30.9,-32.66,;29.37,-32.65,)|
BDBM50301507 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1 |(4.32,-45.59,;4.29,-47.13,;5.52,-48.06,;5.01,-49.52,;3.47,-49.48,;2.54,-50.7,;3.03,-48,;1.58,-47.49,;.25,-48.26,;-1.08,-47.49,;-2.42,-48.26,;-3.75,-47.49,;-3.75,-45.95,;-5.08,-48.26,;-6.42,-47.49,;-7.75,-48.27,;-9.09,-47.5,;-10.42,-48.26,;-9.09,-45.95,;-7.76,-45.18,;-7.76,-43.64,;-6.42,-45.94,;-1.09,-45.95,;.24,-45.18,;1.58,-45.94,;2.91,-45.17,;2.91,-43.63,;4.24,-42.86,;5.57,-43.62,;6.33,-44.95,;7.86,-44.95,;8.63,-43.63,;7.87,-42.3,;6.33,-42.29,)|
BDBM50301509 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)|
BDBM50301510 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(29.87,3.61,;29.84,2.07,;31.07,1.14,;30.56,-.32,;29.02,-.28,;28.09,-1.51,;28.58,1.19,;27.13,1.71,;25.8,.94,;24.47,1.71,;23.13,.94,;21.8,1.7,;21.8,3.24,;20.47,.93,;19.13,1.7,;17.8,.93,;16.46,1.7,;16.46,3.24,;15.13,4.01,;17.79,4.01,;19.13,3.25,;24.46,3.24,;25.79,4.02,;27.13,3.25,;28.46,4.02,;28.46,5.56,;29.79,6.34,;31.12,5.57,;31.6,4.11,;33.14,4.12,;33.61,5.59,;32.36,6.49,)|
BDBM50301511 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1
BDBM50301512 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(28.26,-6.71,;28.23,-8.25,;29.46,-9.19,;28.95,-10.64,;27.41,-10.6,;26.47,-11.83,;26.97,-9.13,;25.52,-8.61,;24.19,-9.38,;22.86,-8.61,;21.52,-9.38,;20.19,-8.62,;20.19,-7.08,;18.86,-9.39,;17.52,-8.62,;16.18,-9.39,;14.85,-8.62,;14.85,-7.08,;13.52,-6.31,;16.18,-6.31,;17.52,-7.07,;22.85,-7.08,;24.17,-6.3,;25.52,-7.07,;26.85,-6.3,;26.84,-4.76,;28.18,-3.98,;29.51,-4.75,;29.51,-6.29,;30.84,-7.05,;32.17,-6.28,;32.17,-4.74,;30.83,-3.97,)|
BDBM50301513 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(4.23,-16.28,;4.2,-17.82,;5.43,-18.75,;4.92,-20.21,;3.38,-20.17,;2.44,-21.39,;2.94,-18.69,;1.49,-18.18,;.16,-18.95,;-1.18,-18.18,;-2.51,-18.95,;-3.84,-18.18,;-3.85,-16.64,;-5.18,-18.95,;-6.51,-18.19,;-7.85,-18.96,;-9.18,-18.19,;-9.18,-16.64,;-10.51,-15.87,;-7.85,-15.87,;-6.52,-16.64,;-1.18,-16.64,;.14,-15.87,;1.49,-16.64,;2.82,-15.86,;2.81,-14.32,;4.14,-13.55,;5.48,-14.31,;5.48,-15.85,;6.81,-16.62,;8.14,-15.85,;8.14,-14.31,;6.8,-13.53,)|
BDBM50257963 Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
BDBM50301514 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1
BDBM50301515 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)|
BDBM50301516 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(29.57,-25.86,;29.54,-27.4,;30.77,-28.33,;30.26,-29.79,;28.72,-29.75,;27.78,-30.98,;28.28,-28.28,;26.83,-27.76,;25.5,-28.53,;24.16,-27.76,;22.83,-28.53,;21.5,-27.77,;21.49,-26.23,;20.16,-28.54,;18.83,-27.77,;17.49,-28.54,;16.16,-27.77,;16.16,-26.23,;14.83,-25.46,;17.49,-25.46,;18.82,-26.22,;24.16,-26.23,;25.48,-25.45,;26.83,-26.22,;28.16,-25.45,;28.15,-23.91,;29.48,-23.13,;30.82,-23.9,;30.82,-25.44,;32.15,-26.2,;33.48,-25.43,;33.48,-23.89,;32.14,-23.12,)|
BDBM50301517 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1
BDBM50301518 CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
BDBM50301519 CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50253550 OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50137976 CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
BDBM50129425 Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50129426 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50139354 CN(C)CCSc1cccc(n1)C1(O)CCCCC1
BDBM50139355 CN(C)CCSc1cccc(n1)-c1ccccc1
BDBM50115021 Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1
BDBM50115023 CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
BDBM50306817 Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306818 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
BDBM50306819 COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306820 FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
BDBM50306824 CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50306825 CC(CCN1CCN(CC1)c1ccc(F)cc1)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50306826 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
BDBM50306827 FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
BDBM50263467 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCC)c-31 |r|
BDBM50263468 CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
BDBM50263472 CCCN1CCc2cccc3-c4cc(OC(=O)CCCC(=O)Oc5cccc6C[C@H]7N(CCC)CCc8cccc(c78)-c56)ccc4C[C@@H]1c23 |r|
BDBM50306828 Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
BDBM50306829 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
BDBM50306830 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
BDBM50306831 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CCCCC1
BDBM50306832 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
BDBM50223277 CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1
BDBM50115090 COc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1
BDBM50302140 Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
BDBM50306833 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CCCCC1
BDBM50306834 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1
BDBM50306835 COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306836 FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306837 Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50306838 O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50320370 Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50320371 Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50320372 NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
BDBM50320373 NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
BDBM50320374 NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
BDBM50320375 CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1
BDBM50320376 C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r|
BDBM50320378 Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1
BDBM50327571 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2)CC1
BDBM50327572 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2F)CC1
BDBM50327573 C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1
BDBM50327574 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2F)CC1
BDBM50327575 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
BDBM50327576 Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4F)CC3)c12
BDBM50327577 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
BDBM50327578 Fc1ccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
BDBM50327579 Fc1cccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
BDBM50327580 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327581 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
BDBM50327582 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50327583 Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
BDBM50327584 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327585 Fc1cccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
BDBM50327586 Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327587 Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
BDBM50327588 C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
BDBM50327589 Clc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327590 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12
BDBM50327591 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327592 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2cc3C(=O)NCc3cc2F)CC1
BDBM50327593 Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327594 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327595 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327596 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCc34)cc12
BDBM50327597 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327598 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327599 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2)CC1
BDBM50327600 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327601 Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
BDBM50327602 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50327603 Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
BDBM50327604 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
BDBM50327605 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
BDBM50327606 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
BDBM50327607 Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1
BDBM50327608 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
BDBM50327609 Fc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327610 Fc1cc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
BDBM50327611 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1
BDBM50327612 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
BDBM50327613 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCc34)cc12
BDBM50327614 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50338640 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
BDBM50338641 CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCCN2CCN(CC2)c2ccccc2OC)c-31
BDBM50338642 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
BDBM50327615 Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327616 Clc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327617 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
BDBM50327618 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2cc3C(=O)NCc3cc2F)CC1
BDBM50327619 Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
BDBM50327620 Fc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50327621 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327622 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
BDBM50327623 Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327624 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327625 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4OCCc34)cc12
BDBM50327626 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
BDBM50327627 Fc1ccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
BDBM50327628 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
BDBM50327629 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327630 Clc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327631 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM78940 CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81487 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM81497 CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
BDBM81498 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
BDBM82087 COc1ccc2[nH]cc(CCN)c2c1
BDBM50331286 NCCc1c[nH]c2ccc(Cl)cc12
BDBM50331288 NCCc1c[nH]c2ccc(Br)cc12
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM50330813 CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
BDBM50330814 CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
BDBM81781 Cn1cc(CCN)c2cc(O)ccc12
BDBM81789 CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81873 CCCN1CCCC2Cc3[nH]ncc3CC12
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM50342037 COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCCCC1)C#N
BDBM50342038 COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N
BDBM50329939 CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329940 Cc1nc(cc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329941 Cc1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50329942 CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50329943 COc1c(C)nc(C)nc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50329944 COc1c(C)nc(C)nc1C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329945 COc1c(C)nc(C)nc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329946 Cc1cc(nc(n1)C1CC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329947 CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50329948 CSc1nc(C)cc(n1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329949 Cc1cc(nc(n1)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329950 Cc1cc(nc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329951 CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50329952 Cc1nc(cc(n1)-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50321861 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc23)cn1
BDBM50321862 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
BDBM50321863 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
BDBM50321864 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc23)cn1
BDBM50321865 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc23)cn1
BDBM50321866 Clc1ccc2CCN(C(=O)Nc3cccnc3)c2c1Cl
BDBM50321867 Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1I
BDBM50321868 Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
BDBM50321869 Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
BDBM50321870 Cc1cc2N(CCc2cc1Cl)C(=O)Nc1cccnc1
BDBM50321871 Clc1cc2N(CCc2cc1I)C(=O)Nc1cccnc1
BDBM50321872 Cc1ccc2N(CCc2c1I)C(=O)Nc1cccnc1
BDBM50321873 Cc1ccc2N(CCc2c1Br)C(=O)Nc1cccnc1
BDBM50321874 Clc1ccc2N(CCc2c1Cl)C(=O)Nc1cccnc1
BDBM50321875 Clc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
BDBM50321876 Clc1ccc2CCN(C(=O)Nc3cccnc3)c2c1
BDBM50321877 Clc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
BDBM50321878 O=C(Nc1cccnc1)N1CCc2ccccc12
BDBM50321879 CC(N)Cn1ccc2cc(Br)ccc12
BDBM50321880 CC(N)Cn1ccc2cc(Cl)ccc12
BDBM50190059 COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
BDBM50263469 CCCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
BDBM50263470 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CNC(=O)OCc2ccccc2)c-31 |r|
BDBM50263471 CCCN1CCc2cccc3-c4cc(OC(=O)CCC(=O)Oc5cccc6C[C@H]7N(CCC)CCc8cccc(c78)-c56)ccc4C[C@@H]1c23 |r|
BDBM50321881 CC(N)Cn1ccc2cc(F)ccc12
BDBM50321882 CC(N)Cn1ccc2cc(C)ccc12
BDBM50321883 CCN1C(=N)N(C)\C(=C\c2c[nH]c3cc(F)ccc23)C1=O
BDBM50321884 CCN1C(=N)N(C)\C(=C/c2c[nH]c3ccccc23)C1=O
BDBM50321885 CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
BDBM50321888 CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(F)ccc23)C1=O
BDBM50321889 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc23)cn1
BDBM50321890 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1
BDBM50321891 Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc23)cn1
BDBM50264214 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50299165 CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
BDBM50299166 CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
BDBM50274611 CN1CCc2c(cc(O)c(O)c2-c2cccc(C)c2)C(C1)c1cccc(C)c1
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM84636 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM82184 COc1cccc(C(=O)C2CCN(CCn3c(=S)[nH]c4ccccc4c3=O)CC2)c1OC
BDBM82505 CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
BDBM85034 NC(CNc1ccccc1)=NCCCOc1ccccc1Cl |w:10.11|
BDBM85386 COc1cc(C(C)=O)c(OC)cc1CC(C)N
BDBM85387 COc1cc(CC(C)[N+](C)(C)C)c(OC)cc1Br
BDBM85388 COCCOCCl
BDBM85597 CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r|
BDBM85598 C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r|
BDBM84933 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM85098 [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
BDBM85099 CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
BDBM86427 CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
BDBM86523 CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
BDBM86525 Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
BDBM86526 COc1ccc2CCCc2c1O[C@H]1CCNC1
BDBM86527 CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
BDBM86529 CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |c:4|
BDBM85165 OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
BDBM85166 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
BDBM85672 O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
BDBM50362852 Fc1ccc(cc1)S(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
BDBM50362853 Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362854 Fc1ccc(SCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362855 Fc1ccc(SCCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50362856 Fc1ccc(OCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362857 Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
BDBM50362858 Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
BDBM50362859 C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
BDBM50362860 Fc1ccc(CCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362861 Fc1ccc(SCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362862 Fc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362863 Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362864 Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362865 Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362866 OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362867 OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362868 OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362869 Fc1ccc(SCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
BDBM50362870 Fc1ccc(OCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
BDBM86038 Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
BDBM50365574 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(nc23)C#N)c(F)c1
BDBM50365575 Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3CCCCc23)c(F)c1
BDBM50365576 Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ncccn3n2)c(F)c1
BDBM50365577 Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50365578 Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cccnc23)c(F)c1
BDBM50365579 Fc1ccc(CCN2CCN(CC2)C(=O)c2cnc3ccccn23)c(F)c1
BDBM50365580 Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3CCCCn3n2)c(F)c1
BDBM50365581 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Br)nc23)c(F)c1
BDBM50365582 Fc1ccc(CCN2CCN(CC2)C(=O)c2cn3ccccc3n2)c(F)c1
BDBM50365583 Fc1ccc(CCN2CCN(CC2)C(=O)c2nc3ccccn3c2Br)c(F)c1
BDBM50365584 Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cc(Cl)ccc23)c(F)c1
BDBM50365585 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1
BDBM50365586 Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Br)c(F)c1
BDBM50365587 Fc1ccc(CCN2CCN(CC2)C(=O)c2cc(Br)cn3ccnc23)c(F)c1
BDBM50365588 Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ccccn3n2)c(F)c1
BDBM50365589 Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Cl)c(F)c1
BDBM50365590 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1
BDBM50365591 Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3ccccc23)c(F)c1
BDBM50365592 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3ccnn23)c(F)c1
BDBM50365593 Nc1cccn2cc(nc12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50365594 Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50365595 Nc1cccc2nc(cn12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
BDBM50363893 Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
BDBM50363894 Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363895 Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363896 Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363897 Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
BDBM50363898 Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
BDBM50363899 Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
BDBM50363900 Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
BDBM50363901 OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50363902 OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50363903 OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50364326 COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
BDBM85805 COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
BDBM50361063 CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1
BDBM50361064 CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C)c1
BDBM50361065 CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1F
BDBM50361066 CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1Cl
BDBM50361067 CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1C
BDBM50361068 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(C)c1
BDBM50361069 CN(C1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
BDBM50361070 CN(C1CCN(C)CC1)S(=O)(=O)c1cccc2ccsc12
BDBM50361071 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1
BDBM50361072 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50361073 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(I)cc1
BDBM50361074 CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1
BDBM50361075 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
BDBM50361076 CC(C)c1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM50361077 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM50361078 CCc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM50361079 CCCc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM50361080 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
BDBM50361081 COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM50361082 CCCCOc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM50361083 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
BDBM50361084 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C#N
BDBM50361085 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50361086 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
BDBM50361087 CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(F)c1
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM50343785 FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343786 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50343787 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50343788 FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343789 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
BDBM50343790 COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
BDBM50343791 COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343792 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50343793 FC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343794 FC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343795 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
BDBM50343796 FC(CCNC(=O)c1cc2ccccc2s1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343797 COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
BDBM50343798 COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343799 FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343809 CN(CCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1ccc-2c(Cc3ccccc-23)c1
BDBM50342538 C(c1ccccc1)c1ncc2CCNCCc2n1
BDBM50343259 Clc1cccc(N2CCN(CCCCCc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343260 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343261 Clc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4n3)CC2)c1Cl
BDBM50343262 Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
BDBM50343263 Clc1cccc(N2CCN(CCCCOc3ncc4ccc(=O)[nH]c4n3)CC2)c1Cl
BDBM50343264 Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343265 Fc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343266 Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343267 Cc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343268 Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C
BDBM50343269 Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343270 Fc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343271 FC(F)(F)c1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343272 FC(F)(F)c1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343273 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1
BDBM50343274 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1
BDBM50343275 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCCc34)nc2N1
BDBM50343276 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1
BDBM50343277 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1
BDBM50343278 Fc1ccc2ccccc2c1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343279 Fc1cc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc2c1
BDBM50343280 Fc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc12
BDBM50343281 Fc1cccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343282 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343283 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1
BDBM50343284 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
BDBM84991 Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM85000 [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
BDBM85001 [#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
BDBM85002 [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
BDBM85003 [#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
BDBM85004 [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
BDBM85006 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
BDBM85007 [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM82516 CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
BDBM50353855 COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
BDBM50354585 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
BDBM50354586 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
BDBM50347782 Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
BDBM84738 CCNC(C)Cc1cccc(c1)C(F)(F)F
BDBM84742 CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
BDBM84743 CC(C)CC(N)C1(CCC1)c1ccc(Cl)cc1
BDBM50347133 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12
BDBM82368 CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
BDBM85195 CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
BDBM85097 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
BDBM50352647 COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352648 COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
BDBM50352649 COc1ccc(cc1OC)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352650 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(18.19,-11.72,;18.96,-10.39,;20.5,-10.39,;20.98,-8.93,;22.32,-8.16,;22.32,-6.62,;23.65,-8.93,;24.98,-8.16,;26.32,-8.93,;26.32,-10.47,;27.65,-8.16,;28.98,-8.92,;30.3,-8.14,;31.63,-8.91,;31.64,-10.45,;30.31,-11.22,;28.97,-10.46,;32.97,-11.21,;34.31,-10.43,;35.64,-11.2,;35.65,-12.74,;34.31,-13.51,;34.31,-15.05,;32.98,-12.75,;31.64,-13.52,;19.73,-8.02,;19.73,-6.48,;18.49,-8.93,;17.16,-8.15,;17.16,-6.62,;15.83,-5.84,;14.49,-6.61,;14.49,-8.16,;15.83,-8.93,;15.83,-10.47,)|
BDBM50352651 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F |(-5.7,-19.76,;-4.92,-18.43,;-3.38,-18.43,;-2.9,-16.97,;-1.57,-16.2,;-1.57,-14.66,;-.24,-16.97,;1.1,-16.2,;2.43,-16.97,;2.43,-18.51,;3.76,-16.2,;5.09,-16.96,;6.42,-16.19,;7.75,-16.95,;7.76,-18.49,;6.42,-19.27,;5.08,-18.5,;9.09,-19.26,;10.42,-18.48,;11.76,-19.24,;11.76,-20.78,;10.42,-21.56,;10.42,-23.1,;9.09,-20.79,;7.76,-21.56,;-4.15,-16.06,;-4.16,-14.52,;-5.4,-16.97,;-6.73,-16.2,;-6.72,-14.66,;-8.06,-13.88,;-9.4,-14.65,;-9.4,-16.2,;-8.06,-16.97,;-8.05,-18.51,)|
BDBM50352652 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |(17.63,-21.49,;18.4,-20.16,;19.94,-20.16,;20.42,-18.7,;21.76,-17.93,;21.76,-16.39,;23.09,-18.7,;24.42,-17.93,;25.76,-18.7,;25.76,-20.24,;27.09,-17.93,;28.42,-18.69,;29.74,-17.91,;31.07,-18.68,;31.08,-20.22,;29.75,-20.99,;28.41,-20.23,;32.41,-20.98,;33.75,-20.2,;35.08,-20.97,;35.09,-22.51,;33.75,-23.28,;33.75,-24.82,;32.42,-22.52,;31.08,-23.29,;19.17,-17.79,;19.17,-16.25,;17.93,-18.7,;16.6,-17.92,;16.6,-16.38,;15.27,-15.61,;13.93,-16.38,;13.93,-17.93,;15.27,-18.69,;15.27,-20.23,)|
BDBM50352653 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352654 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352655 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1
BDBM50352656 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352657 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
BDBM50352658 COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
BDBM50352659 COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352660 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
BDBM50352661 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
BDBM50352662 COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352663 COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352664 COc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352665 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F |(13.53,.69,;14.3,2.02,;15.84,2.02,;16.32,3.49,;17.66,4.26,;17.66,5.8,;18.99,3.49,;20.32,4.26,;21.66,3.49,;22.99,4.26,;24.32,3.49,;25.64,4.27,;26.97,3.51,;26.98,1.96,;25.65,1.19,;24.31,1.96,;28.32,1.2,;29.65,1.98,;30.98,1.22,;30.99,-.33,;29.65,-1.1,;29.65,-2.64,;28.32,-.33,;26.99,-1.1,;15.07,4.39,;15.07,5.93,;13.83,3.49,;12.5,4.26,;12.5,5.8,;11.17,6.57,;9.83,5.8,;9.84,4.25,;11.17,3.49,;11.17,1.95,)|
BDBM50352666 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |(-6.05,-10.44,;-5.27,-9.11,;-3.73,-9.11,;-3.25,-7.64,;-1.92,-6.87,;-1.92,-5.33,;-.59,-7.64,;.75,-6.87,;2.08,-7.64,;3.41,-6.87,;4.74,-7.64,;6.07,-6.86,;7.4,-7.62,;7.41,-9.17,;6.07,-9.94,;4.73,-9.17,;8.74,-9.93,;10.07,-9.15,;11.41,-9.91,;11.41,-11.46,;10.07,-12.23,;10.07,-13.77,;8.74,-11.46,;7.41,-12.23,;-4.5,-6.74,;-4.51,-5.2,;-5.75,-7.64,;-7.08,-6.87,;-7.07,-5.33,;-8.41,-4.56,;-9.75,-5.33,;-9.74,-6.88,;-8.41,-7.64,;-8.41,-9.18,)|
BDBM50352667 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352668 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352669 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352670 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
BDBM50352671 CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352672 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352673 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352674 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1Cl |(-4.3,-45.95,;-3.52,-44.62,;-1.98,-44.62,;-1.5,-43.16,;-.17,-42.39,;-.17,-40.85,;1.16,-43.16,;2.5,-42.39,;3.83,-43.16,;5.16,-42.39,;6.49,-43.15,;7.82,-42.37,;9.15,-43.14,;9.16,-44.68,;7.82,-45.45,;6.48,-44.69,;10.49,-45.44,;11.82,-44.66,;13.16,-45.43,;13.16,-46.97,;11.82,-47.74,;11.82,-49.28,;10.49,-46.98,;9.16,-47.75,;-2.75,-42.25,;-2.76,-40.71,;-4,-43.16,;-5.33,-42.38,;-5.32,-40.85,;-6.66,-40.07,;-8,-40.84,;-7.99,-42.39,;-6.66,-43.16,;-6.66,-44.7,)|
BDBM50352675 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(16.51,-45.78,;17.28,-44.45,;18.82,-44.45,;19.3,-42.99,;20.64,-42.22,;20.64,-40.68,;21.97,-42.99,;23.3,-42.22,;24.64,-42.99,;25.97,-42.22,;27.3,-42.98,;28.62,-42.2,;29.95,-42.97,;29.96,-44.51,;28.63,-45.28,;27.29,-44.52,;31.29,-45.27,;32.63,-44.49,;33.96,-45.26,;33.97,-46.8,;32.63,-47.57,;32.63,-49.11,;31.3,-46.81,;29.96,-47.58,;18.05,-42.08,;18.05,-40.54,;16.81,-42.99,;15.48,-42.21,;15.48,-40.67,;14.15,-39.9,;12.81,-40.67,;12.81,-42.22,;14.15,-42.98,;14.15,-44.52,)|
BDBM50352676 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(-8.42,-1.08,;-7.64,.25,;-6.1,.25,;-5.33,1.58,;-3.79,1.58,;-3.31,3.04,;-1.97,3.81,;-1.97,5.35,;-.64,3.04,;.69,3.81,;2.03,3.04,;3.36,3.81,;4.69,3.05,;6.01,3.83,;7.34,3.06,;7.35,1.52,;6.02,.75,;4.68,1.51,;8.68,.76,;10.02,1.54,;11.35,.77,;11.36,-.77,;10.02,-1.54,;10.02,-3.08,;8.69,-.78,;7.35,-1.55,;-4.56,3.95,;-4.56,5.49,;-5.8,3.04,;-7.13,3.82,;-7.13,5.35,;-8.46,6.13,;-9.8,5.36,;-9.8,3.81,;-8.46,3.04,;-8.46,1.5,)|
BDBM50352677 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
BDBM50352678 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1
BDBM50352679 CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352680 CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352681 COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352682 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352683 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352684 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352685 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352686 Cc1c(nc(-c2ccccc2)n1-c1ccc2OCCOc2c1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352687 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
BDBM50352688 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
BDBM50352689 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352690 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352691 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
BDBM50352692 CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352693 CC(C)Cn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352694 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
BDBM50352695 COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(16.81,-19.25,;16.8,-20.79,;15.47,-21.56,;14.13,-20.78,;12.79,-21.55,;12.79,-23.1,;14.13,-23.87,;15.46,-23.1,;16.79,-23.87,;17.27,-25.33,;16.49,-26.66,;18.81,-25.33,;19.29,-23.87,;20.62,-23.1,;20.62,-21.56,;21.95,-23.87,;23.29,-23.1,;24.62,-23.87,;24.62,-25.41,;25.95,-23.1,;27.28,-23.86,;28.61,-23.09,;29.94,-23.85,;29.95,-25.39,;28.61,-26.16,;27.27,-25.4,;31.28,-26.15,;32.61,-25.38,;33.95,-26.14,;33.95,-27.68,;32.61,-28.46,;32.61,-30,;31.28,-27.69,;29.95,-28.46,;18.04,-22.96,;18.03,-21.42,)|
BDBM50352696 COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6.15,-25.82,;-6.16,-27.36,;-7.49,-28.12,;-8.83,-27.35,;-10.17,-28.12,;-10.17,-29.67,;-8.83,-30.43,;-7.5,-29.66,;-6.17,-30.43,;-5.69,-31.9,;-6.47,-33.23,;-4.15,-31.9,;-3.67,-30.43,;-2.34,-29.66,;-2.34,-28.12,;-1.01,-30.43,;.33,-29.66,;1.66,-30.43,;1.66,-31.97,;2.99,-29.66,;4.32,-30.43,;5.65,-29.65,;6.98,-30.41,;6.99,-31.95,;5.65,-32.73,;4.31,-31.96,;8.32,-32.72,;9.65,-31.94,;10.99,-32.7,;10.99,-34.25,;9.65,-35.02,;9.65,-36.56,;8.32,-34.25,;6.99,-35.02,;-4.92,-29.52,;-4.93,-27.98,)|
BDBM50352697 COc1ccc(cc1)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
BDBM50352698 COc1ccc(cc1)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352699 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
BDBM50352700 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
BDBM50352701 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
BDBM50352702 Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1
BDBM50352703 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352704 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352705 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(17.54,-.1,;18.32,1.23,;19.86,1.23,;20.34,2.69,;21.67,3.46,;21.67,5,;23,2.69,;24.34,3.46,;25.67,2.69,;25.67,1.15,;27,3.46,;28.33,2.7,;29.66,3.48,;30.99,2.71,;31,1.17,;29.66,.4,;28.32,1.16,;32.33,.41,;33.66,1.19,;35,.42,;35,-1.12,;33.66,-1.89,;33.66,-3.43,;32.33,-1.13,;31,-1.9,;19.09,3.6,;19.08,5.14,;17.84,2.69,;16.51,3.47,;16.52,5,;15.18,5.78,;13.84,5.01,;13.84,3.46,;15.18,2.69,;15.19,1.15,)|
BDBM50352706 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1cccc(Cl)c1
BDBM50352707 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352708 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
BDBM50352709 CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352710 CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
BDBM50352711 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1
BDBM50352712 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
BDBM50352713 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352714 Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352715 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352716 CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
BDBM50352717 Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
BDBM50352718 Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
BDBM50352719 Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)|
BDBM50352720 Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wU:8.8,(-5.84,-16.71,;-5.06,-15.38,;-3.52,-15.38,;-3.04,-13.92,;-1.71,-13.15,;-1.71,-11.61,;-.38,-13.92,;.96,-13.15,;2.29,-13.92,;2.29,-15.46,;3.62,-13.15,;4.95,-13.92,;6.28,-13.14,;7.61,-13.9,;7.62,-15.44,;6.28,-16.22,;4.94,-15.45,;8.95,-16.21,;10.28,-15.43,;11.62,-16.19,;11.62,-17.73,;10.28,-18.51,;10.28,-20.05,;8.95,-17.74,;7.62,-18.51,;-4.29,-13.01,;-4.3,-11.47,;-5.54,-13.92,;-6.87,-13.15,;-6.86,-11.61,;-8.2,-10.84,;-9.54,-11.6,;-9.53,-13.16,;-8.2,-13.92,;-8.19,-15.46,)|
BDBM50352721 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@@H](O)CN1CCN(CC1)c1cccc(Cl)c1C |r|
BDBM50352722 Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1C |r|
BDBM50352724 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50352725 CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352726 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(F)(F)F |(19.14,-42.83,;19.91,-41.5,;21.45,-41.5,;21.93,-40.04,;23.26,-39.27,;23.26,-37.73,;24.6,-40.04,;25.93,-39.27,;27.27,-40.04,;28.6,-39.27,;29.93,-40.03,;31.25,-39.26,;32.58,-40.02,;32.59,-41.56,;31.26,-42.33,;29.91,-41.57,;33.92,-42.32,;33.93,-43.86,;35.26,-44.63,;36.6,-43.85,;36.59,-42.31,;37.92,-41.53,;35.25,-41.55,;35.25,-40.01,;20.68,-39.13,;20.68,-37.59,;19.44,-40.04,;18.1,-39.27,;18.11,-37.73,;16.78,-36.95,;15.44,-37.72,;15.44,-39.27,;16.78,-40.04,;16.78,-41.58,;15.45,-42.35,;18.11,-42.34,;16.77,-43.11,)|
BDBM50352727 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
BDBM50352728 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
BDBM50352729 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
BDBM50352730 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
BDBM50352731 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
BDBM50352732 CC(C)c1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
BDBM50352733 CCCc1nc(cn1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352734 CC(C)Cn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
BDBM50352735 CC(C)Cn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
BDBM50352736 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
BDBM50352737 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
BDBM50352739 CCc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50352740 CCCc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50352741 CCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50352742 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50352743 Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352744 CCCn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
BDBM50352745 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1C1CCCC1
BDBM50352746 COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(17.91,6.36,;17.91,4.82,;16.57,4.06,;15.24,4.83,;13.9,4.06,;13.9,2.51,;15.24,1.75,;16.56,2.52,;17.9,1.74,;18.37,.28,;17.46,-.96,;19.91,.28,;20.39,1.74,;21.72,2.51,;21.72,4.05,;23.06,1.74,;24.39,2.51,;25.73,1.74,;27.06,2.51,;28.39,1.75,;29.71,2.53,;31.04,1.76,;31.05,.22,;29.72,-.55,;28.37,.21,;32.38,-.54,;32.39,-2.08,;33.72,-2.84,;35.06,-2.07,;35.05,-.53,;36.38,.25,;33.71,.24,;33.71,1.78,;19.14,2.65,;19.14,4.19,)|
BDBM50352747 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1OC |(-8.68,-8.22,;-7.77,-6.98,;-6.24,-7.14,;-5.34,-5.9,;-3.8,-5.9,;-3.32,-4.43,;-1.98,-3.66,;-1.98,-2.12,;-.65,-4.43,;.68,-3.66,;2.02,-4.43,;3.35,-3.66,;4.68,-4.43,;6.01,-3.65,;7.33,-4.41,;7.34,-5.95,;6.01,-6.73,;4.67,-5.96,;8.68,-6.72,;8.68,-8.25,;10.01,-9.02,;11.35,-8.24,;11.34,-6.7,;12.67,-5.93,;10.01,-5.94,;10,-4.4,;-4.57,-3.52,;-4.57,-1.98,;-5.81,-4.43,;-7.14,-3.66,;-8.47,-4.43,;-9.8,-3.66,;-9.81,-2.12,;-8.47,-1.35,;-7.14,-2.12,;-5.8,-1.35,;-5.79,.19,)|
BDBM50352748 COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
BDBM50352749 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
BDBM50352750 COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50352751 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(-6.35,-24.32,;-5.44,-23.08,;-3.9,-23.08,;-3.43,-21.61,;-2.09,-20.84,;-2.09,-19.3,;-.76,-21.61,;.58,-20.84,;1.91,-21.61,;3.24,-20.84,;4.57,-21.61,;5.9,-20.83,;7.23,-21.59,;7.23,-23.13,;5.9,-23.91,;4.56,-23.14,;8.57,-23.9,;8.57,-25.43,;9.9,-26.2,;11.24,-25.43,;11.23,-23.88,;12.57,-23.11,;9.9,-23.12,;9.89,-21.58,;-4.67,-20.7,;-4.68,-19.16,;-5.92,-21.61,;-7.25,-20.84,;-8.58,-21.61,;-9.91,-20.85,;-9.91,-19.3,;-8.58,-18.53,;-7.24,-19.3,;-5.91,-18.54,)|
BDBM50352752 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(15.2,-27.43,;16.1,-26.18,;17.64,-26.34,;18.54,-25.1,;20.08,-25.1,;20.56,-23.64,;21.9,-22.87,;21.9,-21.33,;23.23,-23.64,;24.56,-22.87,;25.9,-23.64,;27.23,-22.87,;28.56,-23.63,;29.88,-22.85,;31.21,-23.62,;31.22,-25.16,;29.89,-25.93,;28.55,-25.16,;32.55,-25.92,;32.56,-27.45,;33.89,-28.22,;35.23,-27.45,;35.22,-25.91,;36.55,-25.13,;33.89,-25.14,;33.88,-23.6,;19.31,-22.73,;19.31,-21.19,;18.07,-23.64,;16.74,-22.86,;15.41,-23.63,;14.07,-22.87,;14.07,-21.32,;15.41,-20.55,;16.74,-21.32,;18.08,-20.56,)|
BDBM50352753 Cc1c(nc(-c2ccccc2)n1-c1ccccc1F)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl |(-4.38,-26.81,;-4.38,-28.35,;-3.13,-29.26,;-3.61,-30.72,;-5.15,-30.72,;-5.92,-32.05,;-7.46,-32.04,;-8.24,-33.37,;-7.47,-34.71,;-5.93,-34.71,;-5.16,-33.38,;-5.62,-29.26,;-6.96,-28.49,;-8.28,-29.26,;-9.62,-28.49,;-9.62,-26.94,;-8.28,-26.17,;-6.95,-26.95,;-5.61,-26.18,;-1.8,-28.49,;-1.8,-26.95,;-.46,-29.26,;.87,-28.49,;2.21,-29.26,;3.54,-28.49,;4.87,-29.25,;6.19,-28.48,;7.52,-29.24,;7.53,-30.78,;6.2,-31.55,;4.85,-30.79,;8.86,-31.54,;8.87,-33.08,;10.2,-33.85,;11.54,-33.07,;11.53,-31.53,;12.86,-30.75,;10.19,-30.77,;10.19,-29.23,)|
BDBM50352754 Cc1cccc(N2CCN(CCCNC(=O)c3cn(c(n3)-c3ccccc3)-c3ccccc3)CC2)c1C
BDBM50352755 COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6,-2.67,;-6,-4.21,;-7.34,-4.97,;-8.67,-4.2,;-10.01,-4.97,;-10.01,-6.52,;-8.67,-7.28,;-7.34,-6.51,;-6.01,-7.29,;-5.54,-8.75,;-6.31,-10.08,;-4,-8.75,;-3.52,-7.29,;-2.18,-6.52,;-2.18,-4.98,;-.85,-7.29,;.48,-6.52,;1.82,-7.29,;3.15,-6.52,;4.48,-7.28,;5.8,-6.5,;7.13,-7.27,;7.14,-8.81,;5.81,-9.58,;4.47,-8.82,;8.47,-9.57,;9.81,-8.79,;11.14,-9.56,;11.15,-11.1,;9.81,-11.87,;9.81,-13.41,;8.48,-11.11,;7.14,-11.88,;-4.77,-6.38,;-4.77,-4.84,)|
BDBM50352756 COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C |(15.99,-4.6,;15.99,-6.14,;14.65,-6.9,;13.32,-6.13,;11.97,-6.9,;11.98,-8.45,;13.32,-9.21,;14.64,-8.44,;15.98,-9.22,;16.45,-10.68,;15.68,-12.01,;17.99,-10.68,;18.47,-9.22,;19.8,-8.45,;19.8,-6.91,;21.14,-9.22,;22.47,-8.45,;23.8,-9.22,;25.14,-8.45,;26.47,-9.21,;27.79,-8.43,;29.12,-9.2,;29.13,-10.74,;27.8,-11.51,;26.45,-10.74,;30.46,-11.5,;31.79,-10.72,;33.13,-11.49,;33.14,-13.03,;31.8,-13.8,;31.8,-15.34,;30.47,-13.03,;29.13,-13.81,;17.22,-8.31,;17.22,-6.77,)|
BDBM50352757 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1OC |(-8.13,-19.75,;-7.35,-18.42,;-5.81,-18.43,;-5.04,-17.09,;-3.5,-17.1,;-3.02,-15.63,;-1.69,-14.86,;-1.69,-13.32,;-.35,-15.63,;.98,-14.86,;2.31,-15.63,;3.65,-14.86,;4.98,-15.63,;6.3,-14.85,;7.63,-15.61,;7.64,-17.15,;6.31,-17.93,;4.96,-17.16,;8.97,-17.92,;10.3,-17.14,;11.64,-17.9,;11.65,-19.44,;10.31,-20.22,;10.31,-21.76,;8.98,-19.45,;7.64,-20.22,;-4.27,-14.72,;-4.27,-13.18,;-5.51,-15.63,;-6.85,-14.86,;-8.17,-15.63,;-9.51,-14.86,;-9.52,-13.31,;-8.17,-12.55,;-6.84,-13.32,;-5.5,-12.55,;-5.5,-11.01,)|
BDBM50352758 CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1OC |(14.87,-21.94,;15.64,-20.61,;17.18,-20.61,;17.96,-19.28,;19.5,-19.28,;19.98,-17.82,;21.31,-17.05,;21.31,-15.51,;22.65,-17.82,;23.98,-17.05,;25.31,-17.82,;26.65,-17.05,;27.98,-17.81,;29.3,-17.03,;30.63,-17.8,;30.64,-19.34,;29.3,-20.11,;27.96,-19.35,;31.97,-20.1,;33.3,-19.32,;34.64,-20.09,;34.64,-21.63,;33.3,-22.4,;33.31,-23.94,;31.97,-21.64,;30.64,-22.41,;18.73,-16.91,;18.73,-15.37,;17.49,-17.82,;16.15,-17.04,;14.82,-17.82,;13.49,-17.05,;13.48,-15.5,;14.83,-14.73,;16.16,-15.51,;17.49,-14.74,;17.5,-13.2,)|
BDBM50352759 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Cl |(19.54,-34.68,;20.32,-33.35,;21.86,-33.35,;22.33,-31.89,;23.67,-31.12,;23.67,-29.58,;25,-31.89,;26.34,-31.12,;27.67,-31.89,;29,-31.12,;30.33,-31.88,;31.66,-31.1,;32.99,-31.87,;32.99,-33.41,;31.66,-34.18,;30.32,-33.42,;34.33,-34.17,;34.33,-35.71,;35.66,-36.47,;37,-35.7,;36.99,-34.16,;38.33,-33.38,;35.66,-33.39,;35.65,-31.85,;21.09,-30.98,;21.08,-29.44,;19.84,-31.89,;18.51,-31.11,;17.18,-31.89,;15.85,-31.12,;15.85,-29.57,;17.18,-28.8,;18.52,-29.58,;19.85,-28.81,)|
BDBM86029 CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
BDBM86032 CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r|
BDBM86057 CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
BDBM86237 CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
BDBM86441 CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
BDBM50348760 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c-31 |r|
BDBM50354492 Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
BDBM50354493 CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
BDBM50354525 Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8|
BDBM86187 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
BDBM85529 COc1ccc2CCCc2c1[C@@H]1CCNC1
BDBM85530 C[C@H](N)Cc1cccc(c1)C(F)(F)F
BDBM85528 CC(N)Cn1ccc2cc(F)c(Cl)cc12
BDBM85531 CCN(CC)C(=O)N[C@@H]1CN(C)[C@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:23|
BDBM85533 FC(F)(F)c1ccc(nc1Cl)N1CCNCC1
BDBM82247 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
BDBM50366495 CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
BDBM85608 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
BDBM85610 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
BDBM85612 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
BDBM85613 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
BDBM82472 CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM50031447 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cccnc1
BDBM50031448 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
BDBM50031449 Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
BDBM50031461 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031462 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031463 O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
BDBM50031464 Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031465 FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50031466 COc1cccc(c1)N1CCN(CCCCNC(=O)c2c[nH]c3ccccc23)CC1
BDBM50031468 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
BDBM50031353 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2cn1
BDBM50031354 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031355 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031356 O=C(NCCCCN1CCN(CC1)c1ccccn1)c1cc2ccccc2cn1
BDBM50031357 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031358 O=C(NCCCCN1CCN(CC1)c1ncccn1)c1cc2ccccc2cn1
BDBM50031359 O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1cc2ccccc2cn1
BDBM50031360 Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031361 Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031362 Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031363 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
BDBM50031366 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
BDBM50031367 COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
BDBM50031368 O=C(NCCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
BDBM50031369 O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
BDBM50031370 Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@H]2CCc3ccccc3N2)CC1 |r|
BDBM50031371 O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccccc2N1 |r|
BDBM50031372 Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCc3ccccc3N2)CC1 |r|
BDBM50031373 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
BDBM50031374 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
BDBM50031375 COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
BDBM50031376 O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
BDBM50031439 O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1ccccc1
BDBM50031441 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccccn1
BDBM50031443 COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031444 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031445 COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031446 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cccc(C)n2)CC1
BDBM50382170 CCN(CC)CCOC(=O)[C@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
BDBM50382171 CCN(CC)CCOC(=O)[C@@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
BDBM50382172 CCN(CC)CCOC(=O)[C@@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
BDBM50382173 CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
BDBM50371996 C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
BDBM50371998 C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
BDBM50383522 C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
BDBM50379107 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
BDBM50378386 CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
BDBM50382445 NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
BDBM50382446 CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50389797 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50382674 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:8|
BDBM50382675 Clc1ccc2Oc3ncccc3C(NCCN3CCOCC3)=Nc2c1 |c:23|
BDBM50382676 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(Cc2ccccc2)CC1 |c:13|
BDBM50382677 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|
BDBM50382678 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|
BDBM50382679 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1 |c:13|
BDBM50382680 CN1CCC(CC1)NC1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:9|
BDBM50382681 Clc1ccc2Oc3ncccc3C(NC3CCN(Cc4ccccc4)CC3)=Nc2c1 |c:29|
BDBM50382682 Clc1ccc2Oc3ncccc3C(NCCN3CCCCC3)=Nc2c1 |c:23|
BDBM50403955 CN(C)CCCCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403956 CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403957 CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403958 O=C1N(CC2CC3N(O2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12
BDBM50403959 Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
BDBM50403960 C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCOCC1
BDBM50403961 CN(C)C(=O)C1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403962 CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403963 CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
BDBM50403964 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50403965 C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCN(CC1)c1ccccc1
BDBM50403966 CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403967 C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1Cc2ccccc2C1
BDBM50403968 CN1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
BDBM50403969 NCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403970 CC(C)N(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(C)C
BDBM50403971 C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
BDBM50403972 C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
BDBM50403973 CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403974 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
BDBM50403975 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
BDBM50403976 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
BDBM50403977 CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
BDBM50403978 CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
BDBM50403979 CN(C)CC1CC2N(O1)c1c(Cl)cccc1Cc1ccccc21
BDBM50403980 COc1ccc2Cc3ccccc3N3OC(CN(C)C)CC3c2c1
BDBM50403981 CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(c21)C(F)(F)F
BDBM50403982 CN(C)CC1CC2N(O1)c1ccccc1Cc1c(Cl)cccc21
BDBM50403983 CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(F)cc21
BDBM50403984 CN(C)CC1CC2N(O1)c1cccc(C)c1Cc1ccccc21
BDBM50403985 CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(F)c21
BDBM50403986 CN(C)CC1CC2N(O1)c1ccccc1Cc1c(F)cccc21
BDBM50403987 CN(C)CC1CC2N(O1)c1cc(ccc1Cc1ccccc21)-c1ccccc1
BDBM50403988 CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(cc21)C(F)(F)F
BDBM50403989 CN(C)CC1CC2N(O1)c1ccccc1Cc1c2cccc1C(F)(F)F
BDBM50403990 CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(C)c21
BDBM50403991 CN(C)CC1CC2N(O1)c1cccc(F)c1Cc1ccccc21
BDBM50403992 CN(C)CC1CC2N(O1)c1ccc(F)cc1Cc1ccccc21
BDBM50384954 C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
BDBM50384955 C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
BDBM50384956 C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
BDBM50384957 Clc1ccc(cc1)N1CCN(CCCC(=O)c2nc3ccccc3s2)CC1
BDBM50384958 O=C(CCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384959 O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384960 O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
BDBM50384961 Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
BDBM50384962 O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
BDBM50384963 O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
BDBM50384964 Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
BDBM50384965 O=C(CCCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
BDBM50384966 O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384967 O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384968 Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
BDBM50384969 Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
BDBM50384970 OC1(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
BDBM50401361 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50401362 COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
BDBM50401363 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401368 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50398711 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
BDBM50398713 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
BDBM50401384 COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50401403 CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM269504 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(nc23)-c2ccccc2)cc1
BDBM269505 FC(CN1CCN(CC1)C(=O)c1cccn2ccnc12)c1ccc(F)cc1
BDBM269506 Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
BDBM50400738 C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
BDBM50400741 C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r|
BDBM50404245 CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
BDBM50400902 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
BDBM50398963 Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1
BDBM50398964 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12
BDBM50398965 CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
BDBM50398966 COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
BDBM50398967 Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
BDBM50398968 Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
BDBM50398969 Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
BDBM50398970 Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1
BDBM50398971 CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
BDBM50398972 Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
BDBM50398973 CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
BDBM50398975 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
BDBM50398976 CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM50398977 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c2ccccc12
BDBM50398978 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc12
BDBM50398979 CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc12
BDBM50398980 CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
BDBM50398981 CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
BDBM50399614 CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
BDBM50399615 CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
BDBM50399616 CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
BDBM50399619 CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
BDBM50399620 CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
BDBM50399621 Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
BDBM50399622 CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
BDBM50399623 CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
BDBM50398983 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
BDBM50398984 CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50398985 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
BDBM50401673 COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
BDBM50401674 COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
BDBM50403163 N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
BDBM50403826 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
BDBM50403827 COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
BDBM50403833 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
BDBM50412441 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50410466 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1Cl
BDBM50410467 COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
BDBM50410468 COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cc(F)cc(F)c2)c1=O
BDBM50410469 COc1ccc(cc1OCCO)N1CCN(C1=O)c1cccc(F)c1
BDBM50410470 COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
BDBM50410471 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(F)c1
BDBM50410472 COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1cccc(F)c1
BDBM50410473 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
BDBM50410474 COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
BDBM50410475 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cc(F)cc(F)c1
BDBM50410476 COc1cc2CCN(C(=O)\C=C\c3ccccc3Cl)c2cc1OCCN1CCCCC1
BDBM50410477 Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1C(F)(F)F
BDBM50410478 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1
BDBM50410479 Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCc2ccccn2)nc1
BDBM50410480 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
BDBM50410481 COc1ccc(cc1OCCN1CCCCC1)-n1cc(O)n(-c2cccc(F)c2)c1=O
BDBM50410482 COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cccc(F)c2)c1=O
BDBM50410483 COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(Cl)c1Cl
BDBM50410484 Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCCN2CCCCC2)nc1
BDBM50410485 COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1cccc(F)c1
BDBM50408700 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
BDBM50408701 CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12
BDBM50408702 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C
BDBM50408703 COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1
BDBM50408704 COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C
BDBM50408705 CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
BDBM50408706 CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C
BDBM50408707 CN1CCN(CC1)c1cccc(NC(=O)c2ccc(Br)c(C)c2)c1
BDBM50412719 CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C
BDBM50412720 COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12
BDBM50412721 CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C
BDBM50412722 Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1
BDBM50412723 Fc1ccc(cc1)C(=O)N1CCN(CC2Cc3occc3C(=O)C2)CC1
BDBM50412724 Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1
BDBM50412725 COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12
BDBM50412726 Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r|
BDBM50412727 Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r|
BDBM50409490 Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1
BDBM50412131 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
BDBM50412132 Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
BDBM50409500 Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1
BDBM50409503 COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
BDBM50409510 Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
BDBM50407975 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50409062 Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1
BDBM50409063 Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1
BDBM50412983 Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
BDBM50412984 Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412985 Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412986 Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
BDBM50412987 COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
BDBM50412988 Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412989 COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
BDBM50377960 CCCCCOc1ccc2C(CN)c3ccccc3Cc2c1
BDBM50003915 CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
BDBM50371214 Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)c(F)c1
BDBM50375897 C1Cc2ccc3occc3c2CCN1
BDBM50375898 COc1ccc2CCNCCc2c1Cl
BDBM50375899 Clc1c2CCNCCc2ccc1C#N
BDBM50375900 Clc1c(Br)ccc2CCNCCc12
BDBM50375901 C1Cc2ccc3ccoc3c2CCN1
BDBM50375902 CNc1ccc2CCNCCc2c1Cl
BDBM50375903 Clc1ccc2CCNCCc2c1Cl
BDBM50375904 Fc1ccc2CCNCCc2c1Cl
BDBM50375905 [O-][N+](=O)c1ccc2CCNCCc2c1Cl
BDBM50375906 CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
BDBM50375919 CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
BDBM50375921 CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
BDBM50395569 Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50395578 Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
BDBM50375936 CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
BDBM50375939 COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
BDBM50375943 Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
BDBM50375952 Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
BDBM50375960 Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
BDBM50395587 Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50371434 NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|
BDBM50371435 NC1=Nc2cccc(Cl)c2CN1 |t:1|
BDBM50375973 Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
BDBM50393649 COc1ccc(cc1)N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
BDBM50375446 CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c23)o1
BDBM50375447 CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c23)o1
BDBM50375448 CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c23)o1
BDBM50375449 C[C@H](N)Cn1ncc2ccc3oc(cc3c12)C(C)C
BDBM50375450 CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
BDBM50375451 C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
BDBM50375452 COc1nn(C[C@H](C)N)c2c1ccc1occc21
BDBM50375453 CCCc1nn(C[C@H](C)N)c2c1ccc1occc21
BDBM50375454 CCc1nn(C[C@H](C)N)c2c1ccc1occc21
BDBM50375455 C[C@H](N)Cn1nc(C)c2ccc3occc3c12
BDBM50375456 C[C@H](N)Cn1ncc2ccc3ocnc3c12
BDBM50375457 C[C@H](N)Cn1ncc2ccc3occc3c12
BDBM50375458 C[C@H](N)Cn1ncc2ccc3sccc3c12
BDBM50375459 C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
BDBM50375460 C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
BDBM50375461 COc1ccc2cnn(C[C@H](C)N)c2c1Cl
BDBM50375462 C[C@H](N)Cn1ncc2ccc(F)cc12
BDBM50375463 C[C@H](N)Cn1ncc2cc(F)ccc12
BDBM50391743 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
BDBM50375464 CC(Oc1ccc(Cl)cc1C)C(O)=O
BDBM50371660 CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
BDBM50371661 Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
BDBM50371662 Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
BDBM50371663 N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
BDBM50371664 CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
BDBM50371665 Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
BDBM50371666 Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CC1
BDBM50371667 CCC(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1 |w:2.2|
BDBM50371668 Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCc12
BDBM50371669 Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
BDBM50371670 Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
BDBM50371671 Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCCNCc12
BDBM50371672 Fc1ccc(cc1)-c1nc(nc2CCNCc12)-c1ccccc1
BDBM50371673 Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCC1
BDBM50371674 COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
BDBM50371675 Cc1nc2CCNCCc2c(n1)-c1ccc(Cl)cc1
BDBM50371676 Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
BDBM50371677 CC(C)Cc1nc2CCNCc2c(n1)-c1ccc(F)cc1
BDBM50371678 Fc1ccc(Cc2nc3CCNCc3c(n2)-c2ccc(F)cc2)cc1
BDBM50371679 Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
BDBM50371680 CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
BDBM50371681 FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
BDBM50371682 Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
BDBM50395206 O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
BDBM50395207 O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
BDBM50414403 Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
BDBM50416668 C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
BDBM50416669 OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12|
BDBM50416670 CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11|
BDBM50416671 CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12|
BDBM50416672 CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14|
BDBM50416673 OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13|
BDBM50416674 OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)|
BDBM50416675 OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)|
BDBM50416676 Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4|
BDBM50416677 Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12|
BDBM50416678 CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11|
BDBM50416679 CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11|
BDBM50416680 CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11|
BDBM50416681 COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6|
BDBM50414840 CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1
BDBM50414841 Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
BDBM50414842 Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
BDBM50414843 CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1
BDBM50414844 CNc1ncc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2n1
BDBM50414845 Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3cnc(nc3C2)-c2ccccc2)CC1
BDBM50414846 Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cnc(nc3C2)-c2ccccc2)CC1
BDBM50414847 CSc1ncc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2n1
BDBM50428523 FC(F)(F)c1cccc2[C@@H]3CNC[C@@H]3NC(=O)c12 |r|
BDBM50428524 Cc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428525 CCc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428526 Cc1cc(cc2[C@H]3CNC[C@@H]3NC(=O)c12)C1CC1 |r|
BDBM50428527 CCc1cc2[C@H]3CNC[C@@H]3NC(=O)c2c(c1)C(F)(F)F |r|
BDBM50428528 CCc1cc2[C@H]3CNC[C@@H]3N(C)C(=O)c2c(c1)C(F)(F)F |r|
BDBM50428529 Clc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
BDBM50428530 Cc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
BDBM50428531 Clc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
BDBM50428532 CC(C)c1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428533 CCc1cc(Cl)c2C(=O)N(C)[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428534 CCCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428535 O=C1N[C@H]2CNC[C@@H]2c2ccccc12 |r|
BDBM50428536 FC(F)(F)c1cccc2[C@@H]3CNC[C@H]3NC(=O)c12 |r|
BDBM50428537 CCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50428538 FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
BDBM50428539 CN1[C@H]2CNC[C@@H]2c2cccc(c2C1=O)C(F)(F)F |r|
BDBM50428540 CCc1ccc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c12 |r|
BDBM50428541 Cc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
BDBM50428542 COc1ccc(-c2cc3[C@@H]4CNCC[C@@H]4N4CCCc(c2)c34)c(c1)C(F)(F)F |r|
BDBM50428543 C1C[C@H]2[C@@H](CN1)c1cccc3SCCCN2c13 |r|
BDBM50428544 Cc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
BDBM50426619 CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1
BDBM50421370 CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
BDBM50421371 O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
BDBM50421372 CCCN(CCC)CC1COc2cccc(OC)c2C1
BDBM50421373 COc1cccc2OCC(CNCCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
BDBM50421374 CCCN(CCC)CC1(COc2cccc(OC)c2C1)N(CCC)CCC
BDBM50421375 CCCN1CCN(Cc2ccccc2)CC11COc2cccc(OC)c2C1
BDBM50421376 CCCN1CCN(CCC)C2(COc3cccc(OC)c3C2)C1
BDBM50421377 CCCN1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC11COc2cccc(OC)c2C1
BDBM50425434 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
BDBM50425435 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc4ccccc4cn3)CC2)c1Cl
BDBM50425436 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
BDBM50425437 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cnc4ccccc4c3)CC2)c1Cl
BDBM50425438 Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
BDBM50425439 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc4cccnc34)CC2)c1Cl
BDBM50425440 Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
BDBM50425441 Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50425442 Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
BDBM50425443 Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50421589 CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
BDBM50421590 CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
BDBM50427564 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r|
BDBM50428890 CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50428891 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 |r|
BDBM50428892 CCOc1noc2CCNCCc12
BDBM50428893 COc1noc2CCNCCc12
BDBM50428894 CCn1oc2CCN(C)CCc2c1=O
BDBM50428895 CN1CCc2on(C)c(=O)c2CC1
BDBM50428896 O=c1c2CCNCCc2on1Cc1ccccc1
BDBM50428897 CCCn1oc2CCNCCc2c1=O
BDBM50428898 CCn1oc2CCNCCc2c1=O
BDBM50428899 Cn1oc2CCNCCc2c1=O
BDBM50428900 CCOc1noc2CCN(C)CCc12
BDBM50428901 COc1noc2CCN(C)CCc12
BDBM50428902 C(Oc1noc2CCNCCc12)c1ccccc1
BDBM50428906 O=c1c2CNCCCc2on1Cc1ccccc1
BDBM50428907 O=c1c2CNCCc2on1Cc1ccccc1
BDBM50428908 CCn1oc2CCNCc2c1=O
BDBM50428909 Cn1oc2CCNCc2c1=O
BDBM50428910 CCOc1noc2CNCCc12
BDBM50428911 CCn1oc2CNCCc2c1=O
BDBM50429046 COc1c(O)ccc2C[C@@H]3N(CCc4cc5CCOc5cc34)Cc12 |r|
BDBM50429052 COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCCOc5cc34)Cc12 |r|
BDBM50426498 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
BDBM106413 CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4occc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.97,-2.28,;10.63,-3.05,;9.3,-2.28,;8.05,-3.19,;6.81,-2.28,;7.28,-.82,;6.51,.52,;4.97,.52,;4.2,-.82,;4.2,1.85,;2.66,1.85,;1.89,.52,;.35,.52,;-.42,1.85,;-1.96,1.85,;-2.73,.52,;-4.27,.52,;-5.04,-.82,;-6.58,-.82,;-7.35,.52,;-6.58,1.85,;-5.04,1.85,;-8.89,.52,;-9.66,1.85,;-11.2,1.85,;-11.97,.52,;-11.2,-.82,;-11.67,-2.28,;-10.43,-3.19,;-9.18,-2.28,;-9.66,-.82,;.35,3.19,;1.89,3.19,;8.82,-.82,)|
BDBM106414 O[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4occc34)CC2)CC1 |r,wU:9.8,4.4,wD:12.12,1.0,(10.78,-2.82,;10.01,-1.48,;10.78,-.15,;10.01,1.18,;8.47,1.18,;7.7,2.52,;6.16,2.52,;5.39,3.85,;5.39,1.18,;3.85,1.18,;3.08,-.15,;1.54,-.15,;.77,1.18,;-.77,1.18,;-1.54,-.15,;-3.08,-.15,;-3.85,-1.48,;-5.39,-1.48,;-6.16,-.15,;-5.39,1.18,;-3.85,1.18,;-7.7,-.15,;-8.47,1.18,;-10.01,1.18,;-10.78,-.15,;-10.01,-1.48,;-10.49,-2.95,;-9.24,-3.85,;-7.99,-2.95,;-8.47,-1.48,;1.54,2.52,;3.08,2.52,;7.7,-.15,;8.47,-1.48,)|
BDBM106412 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106415 CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:5.4,wD:8.8,(9.62,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106416 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106417 OCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.54,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.7,.52,;-3.46,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.46,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106418 OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:5.4,wD:8.8,(9.62,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106419 COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.39,1.85,;-1.15,.52,;-2.7,.52,;-3.46,-.82,;-5,-.82,;-5.78,.52,;-5,1.85,;-3.46,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106420 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4occc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-2.82,;10.01,-2.82,;9.24,-1.48,;10.01,-.15,;9.24,1.18,;7.7,1.18,;6.93,2.52,;5.39,2.52,;4.62,3.85,;4.62,1.18,;3.08,1.18,;2.31,-.15,;.77,-.15,;,1.18,;-1.54,1.18,;-2.31,-.15,;-3.85,-.15,;-4.62,-1.48,;-6.16,-1.48,;-6.93,-.15,;-6.16,1.18,;-4.62,1.18,;-8.47,-.15,;-9.24,1.18,;-10.78,1.18,;-11.55,-.15,;-10.78,-1.48,;-11.26,-2.95,;-10.01,-3.85,;-8.76,-2.95,;-9.24,-1.48,;.77,2.52,;2.31,2.52,;6.93,-.15,;7.7,-1.48,)|
BDBM106421 O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106422 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM106423 CCOCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106424 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)C1CC1 |r,wU:3.2,wD:6.6,(6.26,-.82,;7.03,.52,;6.26,1.85,;4.72,1.85,;3.95,.52,;2.41,.52,;1.64,1.85,;.1,1.85,;-.67,.52,;-2.21,.52,;-2.98,-.82,;-4.52,-.82,;-5.29,.52,;-4.52,1.85,;-2.98,1.85,;-6.83,.52,;-7.6,1.85,;-9.14,1.85,;-9.91,.52,;-9.14,-.82,;-9.61,-2.28,;-8.37,-3.19,;-7.12,-2.28,;-7.6,-.82,;2.41,3.19,;3.95,3.19,;8.57,.52,;9.91,-.25,;9.91,1.29,)|
BDBM106425 CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;6.47,-.25,;9.14,1.29,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)|
BDBM106426 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106427 CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.08,-.82,;7.31,.52,;5.98,-.25,;8.65,1.29,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106428 CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:7.6,wD:10.10,(7.31,-2.15,;8.08,-.82,;9.63,-.82,;7.31,.52,;5.98,-.25,;8.65,1.29,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106429 CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106430 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106431 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-2.82,;10.01,-2.82,;9.24,-1.48,;10.01,-.15,;9.24,1.18,;7.7,1.18,;6.93,2.52,;5.39,2.52,;4.62,3.85,;4.62,1.18,;3.08,1.18,;2.31,-.15,;.77,-.15,;,1.18,;-1.54,1.18,;-2.31,-.15,;-3.85,-.15,;-4.62,-1.48,;-6.16,-1.48,;-6.93,-.15,;-6.16,1.18,;-4.62,1.18,;-8.47,-.15,;-9.24,1.18,;-10.78,1.18,;-11.55,-.15,;-10.78,-1.48,;-11.26,-2.95,;-10.01,-3.85,;-8.76,-2.95,;-9.24,-1.48,;.77,2.52,;2.31,2.52,;6.93,-.15,;7.7,-1.48,)|
BDBM106432 CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.69,-2.62,;10.36,-3.39,;9.02,-2.62,;7.56,-3.1,;6.65,-1.85,;7.56,-.61,;6.79,.73,;5.25,.73,;4.48,-.61,;4.48,2.06,;2.94,2.06,;2.17,.73,;.63,.73,;-.14,2.06,;-1.68,2.06,;-2.45,.73,;-3.99,.73,;-4.76,-.61,;-6.3,-.61,;-7.07,.73,;-6.3,2.06,;-4.76,2.06,;-8.61,.73,;-9.38,2.06,;-10.92,2.06,;-11.69,.73,;-10.92,-.61,;-11.4,-2.07,;-10.15,-2.98,;-8.91,-2.07,;-9.38,-.61,;.63,3.39,;2.17,3.39,;9.02,-1.08,)|
BDBM106433 COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.47,3.19,)|
BDBM106434 O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106435 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM106436 CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)|
BDBM106437 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,2.1,wD:13.13,5.5,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)|
BDBM106438 OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106439 O[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:9.8,4.4,wD:12.12,1.0,(10.78,-2.82,;10.01,-1.48,;10.78,-.15,;10.01,1.18,;8.47,1.18,;7.7,2.52,;6.16,2.52,;5.39,3.85,;5.39,1.18,;3.85,1.18,;3.08,-.15,;1.54,-.15,;.77,1.18,;-.77,1.18,;-1.54,-.15,;-3.08,-.15,;-3.85,-1.48,;-5.39,-1.48,;-6.16,-.15,;-5.39,1.18,;-3.85,1.18,;-7.7,-.15,;-8.47,1.18,;-10.01,1.18,;-10.78,-.15,;-10.01,-1.48,;-10.49,-2.95,;-9.24,-3.85,;-7.99,-2.95,;-8.47,-1.48,;1.54,2.52,;3.08,2.52,;7.7,-.15,;8.47,-1.48,)|
BDBM106440 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)|
BDBM106441 CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;9.14,1.29,;6.47,-.25,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)|
BDBM106442 CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.09,-.82,;7.32,.52,;8.65,1.29,;5.98,-.25,;6.54,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.69,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106443 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106444 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM106445 O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106446 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106447 CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:5.4,wD:8.8,(9.62,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.7,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.92,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.86,1.85,;-9.62,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.7,3.19,;4.23,3.19,)|
BDBM106448 O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106449 COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.46,.52,;1.92,.52,;1.16,1.85,;-.38,1.85,;-1.16,.52,;-2.7,.52,;-3.46,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.46,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.92,3.19,;3.46,3.19,)|
BDBM106450 CS(=O)(=O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(9.73,-2.15,;8.96,-.82,;10.29,-.05,;7.62,-1.59,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM106451 OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.32,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.24,.52,;2.69,.52,;1.93,1.85,;.39,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.24,3.19,)|
BDBM106452 OCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.85,-.82,;8.08,.52,;6.55,.52,;5.77,-.82,;5.77,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5.01,-.82,;-5.77,.52,;-5.01,1.85,;-3.46,1.85,;-7.32,.52,;-8.08,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106453 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCOC1 |r,wU:3.2,wD:6.6,(5.75,-.82,;6.52,.52,;5.75,1.85,;4.21,1.85,;3.44,.52,;1.9,.52,;1.13,1.85,;-.41,1.85,;-1.18,.52,;-2.72,.52,;-3.49,-.82,;-5.03,-.82,;-5.8,.52,;-5.03,1.85,;-3.49,1.85,;-7.34,.52,;-8.12,1.85,;-9.65,1.85,;-10.43,.52,;-9.65,-.82,;-10.13,-2.28,;-8.89,-3.19,;-7.64,-2.28,;-8.12,-.82,;1.9,3.19,;3.44,3.19,;8.06,.52,;8.96,1.76,;10.43,1.29,;10.43,-.25,;8.96,-.73,)|
BDBM106454 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCCO1 |r,wU:3.2,wD:6.6,(5.75,-.82,;6.52,.52,;5.75,1.85,;4.21,1.85,;3.44,.52,;1.9,.52,;1.13,1.85,;-.41,1.85,;-1.18,.52,;-2.72,.52,;-3.49,-.82,;-5.03,-.82,;-5.8,.52,;-5.03,1.85,;-3.49,1.85,;-7.34,.52,;-8.11,1.85,;-9.65,1.85,;-10.42,.52,;-9.65,-.82,;-10.13,-2.28,;-8.88,-3.19,;-7.64,-2.28,;-8.11,-.82,;1.9,3.19,;3.44,3.19,;8.06,.52,;8.96,1.76,;10.42,1.29,;10.42,-.25,;8.96,-.73,)|
BDBM106455 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM106456 Fc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,-.82,;7.7,-.82,;6.93,.52,;7.7,1.85,;9.24,1.85,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM106457 Clc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,-.82,;7.7,-.82,;6.93,.52,;7.7,1.85,;9.24,1.85,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM106458 FC(F)(F)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:13.13,wD:16.17,(12.32,.52,;10.78,.52,;10.78,2.06,;10.78,-1.02,;9.24,.52,;8.47,-.82,;6.93,-.82,;6.16,.52,;6.93,1.85,;8.47,1.85,;4.62,.52,;3.85,-.82,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,)|
BDBM106459 CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;6.47,-.25,;9.14,1.29,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)|
BDBM106460 CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.08,-.82,;7.31,.52,;5.98,-.25,;8.65,1.29,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.7,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106461 Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:11.11,wD:14.15,(10.01,-4,;9.24,-2.67,;7.7,-2.67,;6.93,-1.33,;7.7,,;9.24,,;10.01,-1.33,;6.93,1.33,;5.6,.56,;8.26,2.1,;6.16,2.67,;4.62,2.67,;3.85,1.33,;2.31,1.33,;1.54,2.67,;,2.67,;-.77,1.33,;-2.31,1.33,;-3.08,,;-4.62,,;-5.39,1.33,;-4.62,2.67,;-3.08,2.67,;-6.93,1.33,;-7.7,2.67,;-9.24,2.67,;-10.01,1.33,;-9.24,,;-9.72,-1.46,;-8.47,-2.37,;-7.22,-1.46,;-7.7,,;2.31,4,;3.85,4,)|
BDBM106462 O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.7,wD:10.11,(5.88,-.92,;6.65,.41,;8.19,.41,;8.96,1.75,;10.29,2.52,;8.96,3.29,;5.88,1.75,;4.34,1.75,;3.57,.41,;2.03,.41,;1.26,1.75,;-.28,1.75,;-1.05,.41,;-2.59,.41,;-3.36,-.92,;-4.9,-.92,;-5.67,.41,;-4.9,1.75,;-3.36,1.75,;-7.21,.41,;-7.98,1.75,;-9.52,1.75,;-10.29,.41,;-9.52,-.92,;-10,-2.38,;-8.75,-3.29,;-7.51,-2.38,;-7.98,-.92,;2.03,3.08,;3.57,3.08,)|
BDBM106463 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCC1 |r,wU:3.2,wD:6.6,(5.83,-.82,;6.6,.52,;5.83,1.85,;4.29,1.85,;3.52,.52,;1.98,.52,;1.21,1.85,;-.33,1.85,;-1.1,.52,;-2.64,.52,;-3.41,-.82,;-4.95,-.82,;-5.72,.52,;-4.95,1.85,;-3.41,1.85,;-7.26,.52,;-8.03,1.85,;-9.57,1.85,;-10.34,.52,;-9.57,-.82,;-10.05,-2.28,;-8.8,-3.19,;-7.56,-2.28,;-8.03,-.82,;1.98,3.19,;3.52,3.19,;8.14,.52,;9.24,-.58,;10.34,.52,;9.24,1.62,)|
BDBM106464 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCCOC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,1.85,;10.01,1.85,;10.78,.52,;10.01,-.82,;8.47,-.82,)|
BDBM106465 C[C@]1(O)CC[C@@H](CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:11.11,1.1,wD:14.15,5.8,1.0,(11.45,1.29,;10.11,.52,;11.45,-.25,;9.34,-.82,;7.8,-.82,;7.03,.52,;7.8,1.85,;9.34,1.85,;5.49,.52,;4.72,-.82,;4.72,1.85,;3.18,1.85,;2.41,.52,;.87,.52,;.1,1.85,;-1.44,1.85,;-2.21,.52,;-3.75,.52,;-4.52,-.82,;-6.06,-.82,;-6.83,.52,;-6.06,1.85,;-4.52,1.85,;-8.37,.52,;-9.14,1.85,;-10.68,1.85,;-11.45,.52,;-10.68,-.82,;-11.15,-2.28,;-9.91,-3.19,;-8.66,-2.28,;-9.14,-.82,;.87,3.19,;2.41,3.19,)|
BDBM106466 C[C@@]1(O)CC[C@@H](CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:11.11,1.0,wD:14.15,5.8,1.1,(11.45,1.29,;10.11,.52,;11.45,-.25,;9.34,-.82,;7.8,-.82,;7.03,.52,;7.8,1.85,;9.34,1.85,;5.49,.52,;4.72,-.82,;4.72,1.85,;3.18,1.85,;2.41,.52,;.87,.52,;.1,1.85,;-1.44,1.85,;-2.21,.52,;-3.75,.52,;-4.52,-.82,;-6.06,-.82,;-6.83,.52,;-6.06,1.85,;-4.52,1.85,;-8.37,.52,;-9.14,1.85,;-10.68,1.85,;-11.45,.52,;-10.68,-.82,;-11.15,-2.28,;-9.91,-3.19,;-8.66,-2.28,;-9.14,-.82,;.87,3.19,;2.41,3.19,)|
BDBM106467 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCCCC1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,-.82,;7.7,-.82,;8.47,.52,;7.7,1.85,;6.16,1.85,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)|
BDBM106468 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCOCC1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,-.82,;7.7,-.82,;8.47,.52,;7.7,1.85,;6.16,1.85,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)|
BDBM106469 OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.7,wD:10.11,(9.27,-.82,;8.5,.52,;9.98,.92,;8.89,2.01,;6.96,.52,;6.19,-.82,;6.19,1.85,;4.65,1.85,;3.88,.52,;2.34,.52,;1.57,1.85,;.03,1.85,;-.74,.52,;-2.28,.52,;-3.05,-.82,;-4.59,-.82,;-5.36,.52,;-4.59,1.85,;-3.05,1.85,;-6.9,.52,;-7.67,1.85,;-9.21,1.85,;-9.98,.52,;-9.21,-.82,;-9.69,-2.28,;-8.44,-3.19,;-7.2,-2.28,;-7.67,-.82,;2.34,3.19,;3.88,3.19,)|
BDBM106470 O=C(CC#N)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(6.16,-.82,;6.93,.52,;8.47,.52,;9.24,1.85,;10.01,3.19,;6.16,1.85,;4.62,1.85,;3.85,.52,;2.31,.52,;1.54,1.85,;,1.85,;-.77,.52,;-2.31,.52,;-3.08,-.82,;-4.62,-.82,;-5.39,.52,;-4.62,1.85,;-3.08,1.85,;-6.93,.52,;-7.7,1.85,;-9.24,1.85,;-10.01,.52,;-9.24,-.82,;-9.72,-2.28,;-8.47,-3.19,;-7.22,-2.28,;-7.7,-.82,;2.31,3.19,;3.85,3.19,)|
BDBM106471 FC(F)(F)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(9.73,-2.15,;8.96,-.82,;10.29,-.05,;7.62,-1.59,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM106472 O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,3.2,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106473 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)|
BDBM106474 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CC1 |r,wU:3.2,wD:6.6,(6.26,-.82,;7.03,.52,;6.26,1.85,;4.72,1.85,;3.95,.52,;2.41,.52,;1.64,1.85,;.1,1.85,;-.67,.52,;-2.21,.52,;-2.98,-.82,;-4.52,-.82,;-5.29,.52,;-4.52,1.85,;-2.98,1.85,;-6.83,.52,;-7.6,1.85,;-9.14,1.85,;-9.91,.52,;-9.14,-.82,;-9.61,-2.28,;-8.37,-3.19,;-7.12,-2.28,;-7.6,-.82,;2.41,3.19,;3.95,3.19,;8.57,.52,;9.91,-.25,;9.91,1.29,)|
BDBM106475 O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:9.9,wD:12.13,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM106476 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-4,;10.01,-4,;9.24,-2.67,;10.01,-1.33,;9.24,,;7.7,,;6.93,1.33,;5.39,1.33,;4.62,,;4.62,2.67,;3.08,2.67,;2.31,1.33,;.77,1.33,;,2.67,;-1.54,2.67,;-2.31,1.33,;-3.85,1.33,;-4.62,,;-6.16,,;-6.93,1.33,;-6.16,2.67,;-4.62,2.67,;-8.47,1.33,;-9.24,2.67,;-10.78,2.67,;-11.55,1.33,;-10.78,,;-11.26,-1.46,;-10.01,-2.37,;-8.76,-1.46,;-9.24,,;.77,4,;2.31,4,;6.93,-1.33,;7.7,-2.67,)|
BDBM106477 CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(9.63,-.82,;8.08,-.82,;7.31,-2.15,;7.31,.52,;8.65,1.29,;5.98,-.25,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106478 O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM106479 O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:9.9,3.2,wD:12.13,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM106480 O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:9.9,wD:12.13,3.2,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM106481 CC(C)(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(8.47,2.06,;8.47,.52,;8.47,-1.02,;10.01,.52,;6.93,.52,;6.16,-.82,;6.16,1.85,;4.62,1.85,;3.85,.52,;2.31,.52,;1.54,1.85,;,1.85,;-.77,.52,;-2.31,.52,;-3.08,-.82,;-4.62,-.82,;-5.39,.52,;-4.62,1.85,;-3.08,1.85,;-6.93,.52,;-7.7,1.85,;-9.24,1.85,;-10.01,.52,;-9.24,-.82,;-9.72,-2.28,;-8.47,-3.19,;-7.22,-2.28,;-7.7,-.82,;2.31,3.19,;3.85,3.19,)|
BDBM106482 CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.39,-.82,;8.86,-.82,;8.08,-2.15,;8.08,.52,;6.55,.52,;5.77,-.82,;5.77,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106483 CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.29,-.05,;8.96,-.82,;9.73,-2.15,;7.62,-1.59,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM106484 O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.8,wD:11.12,(5.8,-.82,;6.57,.52,;8.11,.52,;8.88,-.82,;8.48,-2.3,;9.97,-2.7,;10.37,-1.21,;5.8,1.85,;4.26,1.85,;3.49,.52,;1.95,.52,;1.18,1.85,;-.36,1.85,;-1.13,.52,;-2.67,.52,;-3.44,-.82,;-4.98,-.82,;-5.75,.52,;-4.98,1.85,;-3.44,1.85,;-7.29,.52,;-8.06,1.85,;-9.6,1.85,;-10.37,.52,;-9.6,-.82,;-10.07,-2.28,;-8.83,-3.19,;-7.58,-2.28,;-8.06,-.82,;1.95,3.19,;3.49,3.19,)|
BDBM106485 FC1(F)CC1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.8,wD:11.12,(8.51,-1.59,;9.28,-.25,;10.53,-1,;9.28,1.29,;7.95,.52,;6.41,.52,;5.64,-.82,;5.64,1.85,;4.1,1.85,;3.33,.52,;1.79,.52,;1.02,1.85,;-.52,1.85,;-1.29,.52,;-2.83,.52,;-3.6,-.82,;-5.14,-.82,;-5.91,.52,;-5.14,1.85,;-3.6,1.85,;-7.45,.52,;-8.22,1.85,;-9.76,1.85,;-10.53,.52,;-9.76,-.82,;-10.24,-2.28,;-8.99,-3.19,;-7.75,-2.28,;-8.22,-.82,;1.79,3.19,;3.33,3.19,)|
BDBM106486 CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(9.62,-.82,;8.85,.52,;9.62,1.85,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.39,1.85,;-.38,.52,;-1.92,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106487 CCC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(8.85,3.19,;9.62,1.85,;8.85,.52,;9.62,-.82,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.39,1.85,;-.38,.52,;-1.92,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106488 O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.8,wD:11.12,(5.8,-.82,;6.57,.52,;8.11,.52,;8.88,-.82,;8.48,-2.3,;9.97,-2.7,;10.37,-1.21,;5.8,1.85,;4.26,1.85,;3.49,.52,;1.95,.52,;1.18,1.85,;-.36,1.85,;-1.13,.52,;-2.67,.52,;-3.44,-.82,;-4.98,-.82,;-5.75,.52,;-4.98,1.85,;-3.44,1.85,;-7.29,.52,;-8.06,1.85,;-9.6,1.85,;-10.37,.52,;-9.6,-.82,;-10.07,-2.28,;-8.83,-3.19,;-7.58,-2.28,;-8.06,-.82,;1.95,3.19,;3.49,3.19,)|
BDBM106489 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(9.62,-.82,;8.85,.52,;9.62,1.85,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.39,1.85,;-.38,.52,;-1.92,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM106490 FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(5.6,-.05,;6.93,-.82,;8.26,-1.59,;6.16,-2.15,;7.7,.52,;9.24,.52,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106491 CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.39,-.82,;8.86,-.82,;8.08,-2.15,;8.08,.52,;6.55,.52,;5.77,-.82,;5.77,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106492 C\C=C\CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106493 CC#CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(10.78,.52,;9.24,.52,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106494 O=CN[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:3.2,wD:6.6,(6.93,-.82,;7.7,.52,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106495 Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,-3.05,;9.97,-2.28,;9.49,-.82,;7.95,-.82,;7.18,.52,;5.64,.52,;4.87,-.82,;4.87,1.85,;3.33,1.85,;2.56,.52,;1.02,.52,;.25,1.85,;-1.29,1.85,;-2.06,.52,;-3.6,.52,;-4.37,-.82,;-5.91,-.82,;-6.68,.52,;-5.91,1.85,;-4.37,1.85,;-8.22,.52,;-8.99,1.85,;-10.53,1.85,;-11.3,.52,;-10.53,-.82,;-11.01,-2.28,;-9.76,-3.19,;-8.51,-2.28,;-8.99,-.82,;1.02,3.19,;2.56,3.19,;7.47,-2.28,;8.72,-3.19,)|
BDBM106496 Cc1cc(on1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:9.9,wD:12.13,(11.09,-1.02,;9.76,-.25,;8.29,-.73,;7.39,.52,;8.29,1.76,;9.76,1.29,;5.85,.52,;5.08,-.82,;5.08,1.85,;3.54,1.85,;2.77,.52,;1.23,.52,;.46,1.85,;-1.08,1.85,;-1.85,.52,;-3.39,.52,;-4.16,-.82,;-5.7,-.82,;-6.47,.52,;-5.7,1.85,;-4.16,1.85,;-8.01,.52,;-8.78,1.85,;-10.32,1.85,;-11.09,.52,;-10.32,-.82,;-10.8,-2.28,;-9.55,-3.19,;-8.31,-2.28,;-8.78,-.82,;1.23,3.19,;2.77,3.19,)|
BDBM106497 CN(C)C(=O)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.9,wD:13.13,(9.24,-3.33,;10.01,-2,;11.55,-2,;9.24,-.67,;10.01,.67,;7.7,-.67,;6.93,.67,;5.39,.67,;4.62,-.67,;4.62,2,;3.08,2,;2.31,.67,;.77,.67,;,2,;-1.54,2,;-2.31,.67,;-3.85,.67,;-4.62,-.67,;-6.16,-.67,;-6.93,.67,;-6.16,2,;-4.62,2,;-8.47,.67,;-9.24,2,;-10.78,2,;-11.55,.67,;-10.78,-.67,;-11.26,-2.13,;-10.01,-3.04,;-8.76,-2.13,;-9.24,-.67,;.77,3.33,;2.31,3.33,)|
BDBM106498 CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(9.73,-2.15,;8.96,-.82,;7.62,-1.59,;10.29,-.05,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM106499 O[C@H](CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C(F)(F)F |r,wU:6.5,wD:9.9,1.0,(7.31,-2.15,;8.08,-.82,;7.31,.52,;5.77,.52,;5,-.82,;5,1.85,;3.46,1.85,;2.69,.52,;1.15,.52,;.39,1.85,;-1.15,1.85,;-1.92,.52,;-3.46,.52,;-4.23,-.82,;-5.77,-.82,;-6.54,.52,;-5.77,1.85,;-4.23,1.85,;-8.08,.52,;-8.85,1.85,;-10.39,1.85,;-11.16,.52,;-10.39,-.82,;-10.87,-2.28,;-9.62,-3.19,;-8.38,-2.28,;-8.85,-.82,;1.15,3.19,;2.69,3.19,;9.62,-.82,;9.62,.72,;11.16,-.82,;9.62,-2.36,)|
BDBM106500 CC[C@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,2.2,(10.78,.52,;10.01,-.82,;8.47,-.82,;7.7,-2.15,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106501 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)C1 |r,wU:10.9,2.1,wD:13.13,5.5,(11.69,-2.62,;10.36,-3.39,;9.02,-2.62,;7.56,-3.1,;6.65,-1.85,;7.56,-.61,;6.79,.73,;5.25,.73,;4.48,-.61,;4.48,2.06,;2.94,2.06,;2.17,.73,;.63,.73,;-.14,2.06,;-1.68,2.06,;-2.45,.73,;-3.99,.73,;-4.76,-.61,;-6.3,-.61,;-7.07,.73,;-6.3,2.06,;-4.76,2.06,;-8.61,.73,;-9.38,2.06,;-10.92,2.06,;-11.69,.73,;-10.92,-.61,;-11.4,-2.07,;-10.15,-2.98,;-8.9,-2.07,;-9.38,-.61,;.63,3.39,;2.17,3.39,;9.02,-1.08,)|
BDBM106502 O[C@@H]1COC(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)C1 |r,wU:9.8,wD:12.12,1.0,(11.02,-3.39,;9.69,-2.62,;8.23,-3.1,;7.32,-1.85,;8.23,-.61,;7.46,.73,;5.92,.73,;5.15,-.61,;5.15,2.06,;3.61,2.06,;2.84,.73,;1.3,.73,;.53,2.06,;-1.01,2.06,;-1.78,.73,;-3.32,.73,;-4.09,-.61,;-5.63,-.61,;-6.4,.73,;-5.63,2.06,;-4.09,2.06,;-7.94,.73,;-8.71,2.06,;-10.25,2.06,;-11.02,.73,;-10.25,-.61,;-10.73,-2.07,;-9.48,-2.98,;-8.24,-2.07,;-8.71,-.61,;1.3,3.39,;2.84,3.39,;9.69,-1.08,)|
BDBM106503 CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.39,1.85,;-1.15,.52,;-2.7,.52,;-3.46,-.82,;-5,-.82,;-5.78,.52,;-5,1.85,;-3.46,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.46,3.19,)|
BDBM106504 CC(C)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.78,.52,;10.01,-.82,;10.78,-2.15,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106505 CCCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106506 FC(F)(F)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:9.8,wD:12.12,(9.63,.72,;9.63,-.82,;11.17,-.82,;9.63,-2.36,;8.09,-.82,;7.32,.52,;5.78,.52,;5,-.82,;5,1.85,;3.46,1.85,;2.7,.52,;1.16,.52,;.38,1.85,;-1.16,1.85,;-1.92,.52,;-3.46,.52,;-4.24,-.82,;-5.78,-.82,;-6.55,.52,;-5.78,1.85,;-4.24,1.85,;-8.09,.52,;-8.86,1.85,;-10.4,1.85,;-11.17,.52,;-10.4,-.82,;-10.87,-2.28,;-9.63,-3.19,;-8.38,-2.28,;-8.86,-.82,;1.16,3.19,;2.7,3.19,)|
BDBM106507 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3occc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,3.19,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106508 Cc1cc2occc2c(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-10.78,3.19,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;-7.7,.52,;-8.47,1.85,;-6.16,.52,;-5.39,-.82,;-3.85,-.82,;-3.08,.52,;-1.54,.52,;-.77,1.85,;.77,1.85,;1.54,.52,;3.08,.52,;3.85,1.85,;3.08,3.19,;1.54,3.19,;5.39,1.85,;6.16,.52,;5.39,-.82,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,;-3.85,1.85,;-5.39,1.85,)|
BDBM106509 Cc1cc2occc2c(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CC2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-10.78,3.33,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;-7.7,.67,;-8.47,2,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,2,;.77,2,;1.54,.67,;3.08,.67,;3.85,2,;3.08,3.33,;1.54,3.33,;5.39,2,;6.16,.67,;5.39,-.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;-3.85,2,;-5.39,2,)|
BDBM106510 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3occc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,3.19,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106511 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3OCCc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,3.19,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)|
BDBM106512 Cc1cc2OCCc2c(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-10.78,3.19,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;-7.7,.52,;-8.47,1.85,;-6.16,.52,;-5.39,-.82,;-3.85,-.82,;-3.08,.52,;-1.54,.52,;-.77,1.85,;.77,1.85,;1.54,.52,;3.08,.52,;3.85,1.85,;3.08,3.19,;1.54,3.19,;5.39,1.85,;6.16,.52,;5.39,-.82,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,;-3.85,1.85,;-5.39,1.85,)|
BDBM106513 Cc1cc2OCCc2c(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CC2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-10.78,3.33,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;-7.7,.67,;-8.47,2,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,2,;.77,2,;1.54,.67,;3.08,.67,;3.85,2,;3.08,3.33,;1.54,3.33,;5.39,2,;6.16,.67,;5.39,-.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;-3.85,2,;-5.39,2,)|
BDBM106514 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,3.19,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106515 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ncc(C)c3occc23)CC1 |r,wU:4.3,wD:7.7,(10.01,.52,;8.47,.52,;7.7,-.82,;7.7,1.85,;6.16,1.85,;5.39,.52,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,.52,;-3.08,1.85,;-1.54,1.85,;-5.39,.52,;-6.16,1.85,;-7.7,1.85,;-8.47,.52,;-10.01,.52,;-7.7,-.82,;-8.18,-2.28,;-6.93,-3.19,;-5.68,-2.28,;-6.16,-.82,;3.85,3.19,;5.39,3.19,)|
BDBM106516 Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)|
BDBM106517 Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)CC3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.67,;-10.01,.67,;-9.24,2,;-7.7,2,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;,2,;1.54,2,;2.31,.67,;3.85,.67,;4.62,2,;3.85,3.33,;2.31,3.33,;6.16,2,;6.93,.67,;6.16,-.67,;8.47,.67,;9.24,-.67,;8.47,-2,;9.24,-3.33,;10.78,-3.33,;11.55,-2,;10.78,-.67,;-3.08,2,;-4.62,2,;-7.7,-.67,;-7.22,-2.13,;-8.47,-3.04,;-9.72,-2.13,;-9.24,-.67,)|
BDBM106518 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ncc(C)c3occc23)CC1 |r,wU:7.6,wD:10.10,(11.6,-2.32,;10.73,-.82,;9.19,-.82,;8.42,.52,;6.88,.52,;6.11,-.82,;6.11,1.85,;4.57,1.85,;3.8,.52,;2.26,.52,;1.49,1.85,;-.05,1.85,;-.82,.52,;-2.36,.52,;-3.13,-.82,;-4.67,-.82,;-5.44,.52,;-4.67,1.85,;-3.13,1.85,;-6.98,.52,;-7.75,1.85,;-9.29,1.85,;-10.06,.52,;-11.6,.52,;-9.29,-.82,;-9.77,-2.28,;-8.52,-3.19,;-7.27,-2.28,;-7.75,-.82,;2.26,3.19,;3.8,3.19,)|
BDBM106519 CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ncc(C)c3OCCc23)CC1 |r,wU:4.3,wD:7.7,(10.01,.52,;8.47,.52,;7.7,-.82,;7.7,1.85,;6.16,1.85,;5.39,.52,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,.52,;-3.08,1.85,;-1.54,1.85,;-5.39,.52,;-6.16,1.85,;-7.7,1.85,;-8.47,.52,;-10.01,.52,;-7.7,-.82,;-8.18,-2.28,;-6.93,-3.19,;-5.68,-2.28,;-6.16,-.82,;3.85,3.19,;5.39,3.19,)|
BDBM106520 Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2CCOc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)|
BDBM106521 Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)CC3CCOCC3)CC2)c2CCOc12 |r,wU:14.17,wD:11.10,(-11.55,.67,;-10.01,.67,;-9.24,2,;-7.7,2,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;,2,;1.54,2,;2.31,.67,;3.85,.67,;4.62,2,;3.85,3.33,;2.31,3.33,;6.16,2,;6.93,.67,;6.16,-.67,;8.47,.67,;9.24,-.67,;8.47,-2,;9.24,-3.33,;10.78,-3.33,;11.55,-2,;10.78,-.67,;-3.08,2,;-4.62,2,;-7.7,-.67,;-7.22,-2.13,;-8.47,-3.04,;-9.72,-2.13,;-9.24,-.67,)|
BDBM106522 COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ncc(C)c3OCCc23)CC1 |r,wU:7.6,wD:10.10,(11.6,-2.32,;10.73,-.82,;9.19,-.82,;8.42,.52,;6.88,.52,;6.11,-.82,;6.11,1.85,;4.57,1.85,;3.8,.52,;2.26,.52,;1.49,1.85,;-.05,1.85,;-.82,.52,;-2.36,.52,;-3.13,-.82,;-4.67,-.82,;-5.44,.52,;-4.67,1.85,;-3.13,1.85,;-6.98,.52,;-7.75,1.85,;-9.29,1.85,;-10.06,.52,;-11.6,.52,;-9.29,-.82,;-9.77,-2.28,;-8.52,-3.19,;-7.27,-2.28,;-7.75,-.82,;2.26,3.19,;3.8,3.19,)|
BDBM106523 OC(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C(F)(F)F |r,wU:5.4,wD:8.8,(8.96,-.82,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,;8.96,1.85,;9.73,3.19,;7.62,2.62,;10.29,1.08,)|
BDBM106526 CS(=O)(=O)c1ccc(s1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:12.12,wD:15.16,(11.77,-1.79,;10.43,-1.02,;9.66,-2.36,;11.2,.31,;9.1,-.25,;9.1,1.29,;7.64,1.76,;6.73,.52,;7.64,-.73,;5.19,.52,;4.42,-.82,;4.42,1.85,;2.88,1.85,;2.11,.52,;.57,.52,;-.2,1.85,;-1.74,1.85,;-2.51,.52,;-4.05,.52,;-4.82,-.82,;-6.36,-.82,;-7.15,.52,;-6.36,1.85,;-4.82,1.85,;-8.69,.52,;-9.46,1.85,;-11,1.85,;-11.77,.52,;-11,-.82,;-11.47,-2.28,;-10.23,-3.19,;-8.98,-2.28,;-9.46,-.82,;.57,3.19,;2.11,3.19,)|
BDBM106524 COC(CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)OC |r,wU:7.6,wD:10.10,(8.48,-3.33,;7.71,-2,;8.48,-.67,;7.71,.67,;6.17,.67,;5.4,-.67,;5.4,2,;3.86,2,;3.09,.67,;1.55,.67,;.78,2,;-.76,2,;-1.53,.67,;-3.07,.67,;-3.84,-.67,;-5.38,-.67,;-6.17,.67,;-5.38,2,;-3.84,2,;-7.71,.67,;-8.48,2,;-10.02,2,;-10.79,.67,;-10.02,-.67,;-10.49,-2.13,;-9.25,-3.04,;-8,-2.13,;-8.48,-.67,;1.55,3.33,;3.09,3.33,;10.02,-.67,;10.79,.67,)|
BDBM106525 COC(CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)OC |r,wU:8.7,wD:11.11,(11.56,.67,;10.02,.67,;9.25,-.67,;7.71,-.67,;6.94,.67,;5.4,.67,;4.63,-.67,;4.63,2,;3.09,2,;2.32,.67,;.78,.67,;.01,2,;-1.53,2,;-2.3,.67,;-3.84,.67,;-4.61,-.67,;-6.15,-.67,;-6.94,.67,;-6.15,2,;-4.61,2,;-8.48,.67,;-9.25,2,;-10.79,2,;-11.56,.67,;-10.79,-.67,;-11.26,-2.13,;-10.02,-3.04,;-8.77,-2.13,;-9.25,-.67,;.78,3.33,;2.32,3.33,;10.02,-2,;9.25,-3.33,)|
BDBM106527 Cc1ccc(cn1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:10.10,wD:13.14,(11.46,.52,;10.11,.52,;9.34,1.85,;7.8,1.85,;7.03,.52,;7.8,-.82,;9.34,-.82,;5.49,.52,;4.72,-.82,;4.72,1.85,;3.18,1.85,;2.41,.52,;.87,.52,;.1,1.85,;-1.44,1.85,;-2.21,.52,;-3.75,.52,;-4.52,-.82,;-6.06,-.82,;-6.84,.52,;-6.06,1.85,;-4.52,1.85,;-8.38,.52,;-9.15,1.85,;-10.69,1.85,;-11.46,.52,;-10.69,-.82,;-11.17,-2.28,;-9.92,-3.19,;-8.68,-2.28,;-9.15,-.82,;.87,3.19,;2.41,3.19,)|
BDBM106528 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.95,-.82,;4.72,.52,;3.95,1.85,;2.41,1.85,;1.64,.52,;.1,.52,;-.67,1.85,;-2.21,1.85,;-2.98,.52,;-4.52,.52,;-5.29,-.82,;-6.83,-.82,;-7.61,.52,;-6.83,1.85,;-5.29,1.85,;-9.15,.52,;-9.92,1.85,;-11.46,1.85,;-12.23,.52,;-11.46,-.82,;-11.94,-2.28,;-10.69,-3.19,;-9.45,-2.28,;-9.92,-.82,;.1,3.19,;1.64,3.19,;6.26,.52,;7.03,-.82,;8.57,-.82,;9.34,.52,;8.57,1.85,;7.03,1.85,;10.69,.52,;12.23,.52,)|
BDBM106529 CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:16.17,wD:19.21,(13.77,.52,;12.23,.52,;11.46,-.82,;9.92,-.82,;9.15,.52,;9.92,1.85,;11.46,1.85,;7.8,.52,;7.03,-.82,;5.49,-.82,;4.72,.52,;5.49,1.85,;7.03,1.85,;3.18,.52,;2.41,-.82,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,1.85,;-3.75,1.85,;-4.52,.52,;-6.06,.52,;-6.83,-.82,;-8.37,-.82,;-9.15,.52,;-8.37,1.85,;-6.83,1.85,;-10.69,.52,;-11.46,1.85,;-13,1.85,;-13.77,.52,;-13,-.82,;-13.48,-2.28,;-12.23,-3.19,;-10.99,-2.28,;-11.46,-.82,;-1.44,3.19,;.1,3.19,)|
BDBM106530 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(nc1)N1CCOCC1 |r,wU:3.2,wD:6.6,(3.18,-.82,;3.95,.52,;3.18,1.85,;1.64,1.85,;.87,.52,;-.67,.52,;-1.44,1.85,;-2.98,1.85,;-3.75,.52,;-5.29,.52,;-6.06,-.82,;-7.6,-.82,;-8.38,.52,;-7.6,1.85,;-6.06,1.85,;-9.92,.52,;-10.69,1.85,;-12.23,1.85,;-13,.52,;-12.23,-.82,;-12.71,-2.28,;-11.46,-3.19,;-10.22,-2.28,;-10.69,-.82,;-.67,3.19,;.87,3.19,;5.49,.52,;6.26,1.85,;7.8,1.85,;8.57,.52,;7.8,-.82,;6.26,-.82,;9.92,.52,;10.69,-.82,;12.23,-.82,;13,.52,;12.23,1.85,;10.69,1.85,)|
BDBM106531 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)-c1cccnc1 |r,wU:3.2,wD:6.6,(3.18,-.82,;3.95,.52,;3.18,1.85,;1.64,1.85,;.87,.52,;-.67,.52,;-1.44,1.85,;-2.98,1.85,;-3.75,.52,;-5.29,.52,;-6.06,-.82,;-7.6,-.82,;-8.38,.52,;-7.6,1.85,;-6.06,1.85,;-9.92,.52,;-10.69,1.85,;-12.23,1.85,;-13,.52,;-12.23,-.82,;-12.71,-2.28,;-11.46,-3.19,;-10.22,-2.28,;-10.69,-.82,;-.67,3.19,;.87,3.19,;5.49,.52,;6.26,-.82,;7.8,-.82,;8.57,.52,;7.8,1.85,;6.26,1.85,;9.92,.52,;10.69,1.85,;12.23,1.85,;13,.52,;12.23,-.82,;10.69,-.82,)|
BDBM106532 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc2OCOc2c1 |r,wU:3.2,wD:6.6,(4.56,-.82,;5.33,.52,;4.56,1.85,;3.02,1.85,;2.25,.52,;.71,.52,;-.06,1.85,;-1.6,1.85,;-2.37,.52,;-3.91,.52,;-4.68,-.82,;-6.22,-.82,;-7,.52,;-6.22,1.85,;-4.68,1.85,;-8.54,.52,;-9.31,1.85,;-10.85,1.85,;-11.62,.52,;-10.85,-.82,;-11.33,-2.28,;-10.08,-3.19,;-8.84,-2.28,;-9.31,-.82,;.71,3.19,;2.25,3.19,;6.87,.52,;7.64,-.82,;9.18,-.82,;9.95,.52,;11.46,.84,;11.62,2.37,;10.22,3,;9.18,1.85,;7.64,1.85,)|
BDBM106533 O=C(Cc1ccc2OCOc2c1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:13.14,wD:16.18,(4.56,3.85,;5.33,2.52,;6.88,2.52,;7.65,1.18,;6.88,-.15,;7.65,-1.48,;9.19,-1.48,;10.22,-2.63,;11.62,-2,;11.46,-.47,;9.96,-.15,;9.19,1.18,;4.56,1.18,;3.02,1.18,;2.25,-.15,;.71,-.15,;-.06,1.18,;-1.6,1.18,;-2.37,-.15,;-3.91,-.15,;-4.68,-1.48,;-6.22,-1.48,;-7,-.15,;-6.22,1.18,;-4.68,1.18,;-8.54,-.15,;-9.31,1.18,;-10.85,1.18,;-11.62,-.15,;-10.85,-1.48,;-11.33,-2.95,;-10.08,-3.85,;-8.84,-2.95,;-9.31,-1.48,;.71,2.52,;2.25,2.52,)|
BDBM106534 OC1(CCC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.8,wD:11.12,(8.48,-1.02,;8.48,.52,;10.02,.52,;10.02,2.06,;8.48,2.06,;6.94,.52,;6.17,-.82,;6.17,1.85,;4.63,1.85,;3.86,.52,;2.32,.52,;1.55,1.85,;.01,1.85,;-.76,.52,;-2.3,.52,;-3.07,-.82,;-4.61,-.82,;-5.4,.52,;-4.61,1.85,;-3.07,1.85,;-6.94,.52,;-7.71,1.85,;-9.25,1.85,;-10.02,.52,;-9.25,-.82,;-9.72,-2.28,;-8.48,-3.19,;-7.23,-2.28,;-7.71,-.82,;2.32,3.19,;3.86,3.19,)|
BDBM106535 CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(10.02,.52,;8.48,.52,;8.48,-1.02,;8.48,2.06,;6.94,.52,;6.17,-.82,;6.17,1.85,;4.63,1.85,;3.86,.52,;2.32,.52,;1.55,1.85,;.01,1.85,;-.76,.52,;-2.3,.52,;-3.07,-.82,;-4.61,-.82,;-5.4,.52,;-4.61,1.85,;-3.07,1.85,;-6.94,.52,;-7.71,1.85,;-9.25,1.85,;-10.02,.52,;-9.25,-.82,;-9.72,-2.28,;-8.48,-3.19,;-7.23,-2.28,;-7.71,-.82,;2.32,3.19,;3.86,3.19,)|
BDBM106536 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCS(=O)(=O)CC1 |r,wU:3.2,wD:6.6,(2.67,-.82,;3.44,.52,;2.67,1.85,;1.13,1.85,;.36,.52,;-1.18,.52,;-1.95,1.85,;-3.49,1.85,;-4.26,.52,;-5.8,.52,;-6.57,-.82,;-8.11,-.82,;-8.89,.52,;-8.11,1.85,;-6.57,1.85,;-10.43,.52,;-11.2,1.85,;-12.74,1.85,;-13.51,.52,;-12.74,-.82,;-13.22,-2.28,;-11.97,-3.19,;-10.73,-2.28,;-11.2,-.82,;-1.18,3.19,;.36,3.19,;4.67,.52,;5.44,-.82,;6.98,-.82,;7.75,.52,;6.98,1.85,;5.44,1.85,;9.1,.52,;9.87,-.82,;11.41,-.82,;12.18,.52,;13.51,1.29,;13.51,-.25,;11.41,1.85,;9.87,1.85,)|
BDBM106537 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)-n1cccn1 |r,wU:3.2,wD:6.6,(3.54,-.82,;4.31,.52,;3.54,1.85,;2,1.85,;1.23,.52,;-.31,.52,;-1.08,1.85,;-2.62,1.85,;-3.39,.52,;-4.93,.52,;-5.7,-.82,;-7.24,-.82,;-8.03,.52,;-7.24,1.85,;-5.7,1.85,;-9.57,.52,;-10.34,1.85,;-11.88,1.85,;-12.65,.52,;-11.88,-.82,;-12.35,-2.28,;-11.11,-3.19,;-9.86,-2.28,;-10.34,-.82,;-.31,3.19,;1.23,3.19,;5.85,.52,;6.62,-.82,;8.16,-.82,;8.93,.52,;8.16,1.85,;6.62,1.85,;10.28,.52,;11.18,-.73,;12.65,-.25,;12.65,1.29,;11.18,1.76,)|
BDBM106538 Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:15.16,wD:18.20,(12.46,4.24,;11.13,3.47,;10.65,2,;9.11,2,;8.64,3.47,;9.88,4.37,;8.34,.67,;9.11,-.67,;8.34,-2,;6.8,-2,;6.03,-.67,;6.8,.67,;4.49,-.67,;3.72,-2,;3.72,.67,;2.18,.67,;1.41,-.67,;-.13,-.67,;-.9,.67,;-2.44,.67,;-3.21,-.67,;-4.75,-.67,;-5.52,-2,;-7.06,-2,;-7.84,-.67,;-7.06,.67,;-5.52,.67,;-9.38,-.67,;-10.15,.67,;-11.69,.67,;-12.46,-.67,;-11.69,-2,;-12.17,-3.47,;-10.92,-4.37,;-9.68,-3.47,;-10.15,-2,;-.13,2,;1.41,2,)|
BDBM106539 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc2ncccc2c1 |r,wU:3.2,wD:6.6,(4.23,-.82,;5,.52,;4.23,1.85,;2.7,1.85,;1.93,.52,;.39,.52,;-.39,1.85,;-1.93,1.85,;-2.7,.52,;-4.23,.52,;-5,-.82,;-6.54,-.82,;-7.31,.52,;-6.54,1.85,;-5,1.85,;-8.85,.52,;-9.62,1.85,;-11.16,1.85,;-11.93,.52,;-11.16,-.82,;-11.64,-2.28,;-10.39,-3.19,;-9.15,-2.28,;-9.62,-.82,;.39,3.19,;1.93,3.19,;6.54,.52,;7.31,1.85,;8.85,1.85,;9.62,.52,;11.16,.52,;11.93,-.82,;11.16,-2.15,;9.62,-2.15,;8.85,-.82,;7.31,-.82,)|
BDBM106540 O=C(Cc1noc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:13.14,wD:16.18,(4.27,-.82,;5.04,.52,;6.58,.52,;7.35,-.82,;6.87,-2.28,;8.12,-3.19,;9.36,-2.28,;10.87,-2.6,;11.9,-1.46,;11.43,.01,;9.92,.33,;8.89,-.82,;4.27,1.85,;2.73,1.85,;1.96,.52,;.42,.52,;-.35,1.85,;-1.89,1.85,;-2.66,.52,;-4.2,.52,;-4.97,-.82,;-6.51,-.82,;-7.28,.52,;-6.51,1.85,;-4.97,1.85,;-8.82,.52,;-9.59,1.85,;-11.13,1.85,;-11.9,.52,;-11.13,-.82,;-11.61,-2.28,;-10.36,-3.19,;-9.12,-2.28,;-9.59,-.82,;.42,3.19,;1.96,3.19,)|
BDBM106541 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1cnc(cn1)N1CCOCC1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,1.85,;7.7,1.85,;8.47,.52,;7.7,-.82,;6.16,-.82,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)|
BDBM106542 CC(C)(C)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:13.13,wD:16.17,(10.78,2.06,;10.78,.52,;10.78,-1.02,;12.32,.52,;9.24,.52,;8.47,-.82,;6.93,-.82,;6.16,.52,;6.93,1.85,;8.47,1.85,;4.62,.52,;3.85,-.82,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,)|
BDBM106543 Clc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)c(Cl)c1 |r,wU:8.7,wD:11.11,(11.55,.52,;10.01,.52,;9.24,1.85,;7.7,1.85,;6.93,.52,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,;7.7,-.82,;6.93,-2.15,;9.24,-.82,)|
BDBM106544 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)-n1cccc1 |r,wU:3.2,wD:6.6,(3.44,-.82,;4.21,.52,;3.44,1.85,;1.9,1.85,;1.13,.52,;-.41,.52,;-1.18,1.85,;-2.72,1.85,;-3.49,.52,;-5.04,.52,;-5.81,-.82,;-7.35,-.82,;-8.12,.52,;-7.35,1.85,;-5.81,1.85,;-9.66,.52,;-10.43,1.85,;-11.97,1.85,;-12.74,.52,;-11.97,-.82,;-12.44,-2.28,;-11.2,-3.19,;-9.95,-2.28,;-10.43,-.82,;-.41,3.19,;1.13,3.19,;5.75,.52,;6.52,-.82,;8.06,-.82,;8.83,.52,;8.06,1.85,;6.52,1.85,;10.37,.52,;11.27,-.73,;12.74,-.25,;12.74,1.29,;11.27,1.76,)|
BDBM106545 O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)-c1ccccc1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,-.82,;7.7,-.82,;8.47,.52,;7.7,1.85,;6.16,1.85,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)|
BDBM106546 CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,2.2,(8.86,3.19,;9.63,1.85,;8.86,.52,;9.62,-.82,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.24,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.24,3.19,)|
BDBM106547 CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:14.14,wD:17.18,(12.6,-.05,;11.27,-.82,;9.93,-1.59,;12.04,-2.15,;10.5,.52,;8.96,.52,;8.19,-.82,;6.65,-.82,;5.88,.52,;6.65,1.85,;8.19,1.85,;4.34,.52,;3.57,-.82,;3.57,1.85,;2.03,1.85,;1.26,.52,;-.28,.52,;-1.05,1.85,;-2.59,1.85,;-3.36,.52,;-4.9,.52,;-5.67,-.82,;-7.21,-.82,;-7.98,.52,;-7.21,1.85,;-5.67,1.85,;-9.52,.52,;-10.29,1.85,;-11.83,1.85,;-12.6,.52,;-11.83,-.82,;-12.31,-2.28,;-11.06,-3.19,;-9.82,-2.28,;-10.29,-.82,;-.28,3.19,;1.26,3.19,)|
BDBM106548 CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.6,2.2,wD:10.10,(8.86,3.19,;9.63,1.85,;8.86,.52,;9.62,-.82,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.24,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.24,3.19,)|
BDBM106549 O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccccc1 |r,wU:4.3,wD:7.7,(8.26,1.44,;6.93,.67,;5.6,-.1,;6.16,2,;4.62,2,;3.85,.67,;2.31,.67,;1.54,2,;,2,;-.77,.67,;-2.31,.67,;-3.08,-.67,;-4.62,-.67,;-5.39,.67,;-4.62,2,;-3.08,2,;-6.93,.67,;-7.7,2,;-9.24,2,;-10.01,.67,;-9.24,-.67,;-9.72,-2.13,;-8.47,-3.04,;-7.22,-2.13,;-7.7,-.67,;2.31,3.33,;3.85,3.33,;7.7,-.67,;6.93,-2,;7.7,-3.33,;9.24,-3.33,;10.01,-2,;9.24,-.67,)|
BDBM106550 COC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.78,.52,;10.01,-.82,;8.47,-.82,;7.7,-2.15,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106551 CC[C@@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:8.7,2.2,wD:11.11,(10.78,.52,;10.01,-.82,;8.47,-.82,;7.7,-2.15,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM106552 OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)CCC1 |r,wU:6.5,wD:9.9,(7.24,-1.59,;8.57,-.82,;7.8,.52,;6.26,.52,;5.49,-.82,;5.49,1.85,;3.95,1.85,;3.18,.52,;1.64,.52,;.87,1.85,;-.67,1.85,;-1.44,.52,;-2.98,.52,;-3.75,-.82,;-5.29,-.82,;-6.06,.52,;-5.29,1.85,;-3.75,1.85,;-7.6,.52,;-8.37,1.85,;-9.91,1.85,;-10.68,.52,;-9.91,-.82,;-10.38,-2.28,;-9.14,-3.19,;-7.89,-2.28,;-8.37,-.82,;1.64,3.19,;3.18,3.19,;9.91,-.05,;10.68,-1.38,;9.34,-2.15,)|
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50436541 CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C |r,c:28|
BDBM50436542 CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCC(=CC1)C#C |r,c:28|
BDBM107498 CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:4.3,wD:7.7,(9.24,2.52,;7.7,2.52,;6.93,3.85,;6.93,1.18,;5.39,1.18,;4.62,-.15,;3.08,-.15,;2.31,1.18,;.77,1.18,;,-.15,;-1.54,-.15,;-2.31,-1.48,;-3.85,-1.48,;-4.62,-.15,;-3.85,1.18,;-2.31,1.18,;-6.16,-.15,;-6.93,1.18,;-8.47,1.18,;-9.24,-.15,;-8.47,-1.48,;-8.95,-2.95,;-7.7,-3.85,;-6.45,-2.95,;-6.93,-1.48,;3.08,2.52,;4.62,2.52,)|
BDBM107499 COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM107500 O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107501 O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107502 O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,3.2,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107503 O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:9.9,wD:12.13,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM107504 CCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM107505 O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.7,wD:10.11,(5.88,-.82,;6.65,.52,;8.19,.52,;8.96,-.82,;8.96,-2.36,;10.29,-1.59,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM107506 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM107507 FC(F)(F)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.7,wD:11.11,(9.73,-2.15,;8.96,-.82,;7.62,-1.59,;10.29,-.05,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM107508 FC(F)(F)CCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:9.8,wD:12.12,(11.16,1.75,;9.62,1.75,;9.62,3.29,;9.62,.21,;8.09,1.75,;7.32,.41,;5.78,.41,;5.01,-.92,;5.01,1.75,;3.47,1.75,;2.7,.41,;1.16,.41,;.39,1.75,;-1.16,1.75,;-1.93,.41,;-3.47,.41,;-4.24,-.92,;-5.78,-.92,;-6.55,.41,;-5.78,1.75,;-4.24,1.75,;-8.09,.41,;-8.85,1.75,;-10.39,1.75,;-11.16,.41,;-10.39,-.92,;-10.87,-2.38,;-9.62,-3.29,;-8.38,-2.38,;-8.85,-.92,;1.16,3.08,;2.7,3.08,)|
BDBM107509 OC(C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C(F)(F)F |r,wU:5.4,wD:8.8,(8.96,-.82,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,;8.96,1.85,;7.62,2.62,;10.29,1.08,;9.73,3.19,)|
BDBM107510 COCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(10.39,-.82,;8.85,-.82,;8.08,.52,;6.54,.52,;5.77,-.82,;5.77,1.85,;4.23,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.47,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.47,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.47,3.19,)|
BDBM107511 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.85,-.82,;4.62,.52,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,;6.16,.52,;6.93,-.82,;8.47,-.82,;9.24,.52,;8.47,1.85,;6.93,1.85,;10.78,.52,;12.32,.52,)|
BDBM107512 Cc1ccc(cn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,1.85,;7.7,1.85,;6.93,.52,;7.7,-.82,;9.24,-.82,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM107513 O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:9.9,3.2,wD:12.13,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM107514 O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:9.9,wD:12.13,3.2,(5.54,-.82,;6.31,.52,;7.85,.52,;8.62,-.82,;10.16,-.82,;10.63,-2.28,;9.39,-3.19,;8.14,-2.28,;5.54,1.85,;4,1.85,;3.23,.52,;1.69,.52,;.92,1.85,;-.62,1.85,;-1.39,.52,;-2.93,.52,;-3.7,-.82,;-5.24,-.82,;-6.01,.52,;-5.24,1.85,;-3.7,1.85,;-7.55,.52,;-8.32,1.85,;-9.86,1.85,;-10.63,.52,;-9.86,-.82,;-10.34,-2.28,;-9.09,-3.19,;-7.85,-2.28,;-8.32,-.82,;1.69,3.19,;3.23,3.19,)|
BDBM107515 COC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM107516 Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,-3.05,;9.97,-2.28,;9.49,-.82,;7.95,-.82,;7.18,.52,;5.64,.52,;4.87,-.82,;4.87,1.85,;3.33,1.85,;2.56,.52,;1.02,.52,;.25,1.85,;-1.29,1.85,;-2.06,.52,;-3.6,.52,;-4.37,-.82,;-5.91,-.82,;-6.68,.52,;-5.91,1.85,;-4.37,1.85,;-8.22,.52,;-8.99,1.85,;-10.53,1.85,;-11.3,.52,;-10.53,-.82,;-11.01,-2.28,;-9.76,-3.19,;-8.51,-2.28,;-8.99,-.82,;1.02,3.19,;2.56,3.19,;7.47,-2.28,;8.72,-3.19,)|
BDBM107517 O=C(CC#N)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(6.16,-.82,;6.93,.52,;8.47,.52,;9.24,-.82,;10.01,-2.15,;6.16,1.85,;4.62,1.85,;3.85,.52,;2.31,.52,;1.54,1.85,;,1.85,;-.77,.52,;-2.31,.52,;-3.08,-.82,;-4.62,-.82,;-5.39,.52,;-4.62,1.85,;-3.08,1.85,;-6.93,.52,;-7.7,1.85,;-9.24,1.85,;-10.01,.52,;-9.24,-.82,;-9.72,-2.28,;-8.47,-3.19,;-7.22,-2.28,;-7.7,-.82,;2.31,3.19,;3.85,3.19,)|
BDBM107518 OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CCCCC1 |r,wU:6.5,wD:9.9,(6.96,-1.59,;8.29,-.82,;7.52,.52,;5.98,.52,;5.21,-.82,;5.21,1.85,;3.67,1.85,;2.9,.52,;1.36,.52,;.59,1.85,;-.95,1.85,;-1.72,.52,;-3.26,.52,;-4.03,-.82,;-5.57,-.82,;-6.34,.52,;-5.57,1.85,;-4.03,1.85,;-7.88,.52,;-8.65,1.85,;-10.19,1.85,;-10.96,.52,;-10.19,-.82,;-10.67,-2.28,;-9.42,-3.19,;-8.17,-2.28,;-8.65,-.82,;1.36,3.19,;2.9,3.19,;8.29,-2.36,;9.63,-3.13,;10.96,-2.36,;10.96,-.82,;9.63,-.05,)|
BDBM107519 O=C(CC1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107520 CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(9.62,-.82,;8.85,.52,;9.62,1.85,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.38,.52,;-1.92,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM107521 CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,(10.4,-.82,;8.86,-.82,;8.09,-2.15,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)|
BDBM107522 CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)|
BDBM107523 FC1(F)CC1C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.8,wD:11.12,(10.57,-1.02,;9.24,-.25,;8.47,-1.59,;9.24,1.29,;7.91,.52,;6.37,.52,;5.6,-.82,;5.6,1.85,;4.06,1.85,;3.29,.52,;1.75,.52,;.98,1.85,;-.56,1.85,;-1.33,.52,;-2.87,.52,;-3.64,-.82,;-5.18,-.82,;-5.95,.52,;-5.18,1.85,;-3.64,1.85,;-7.49,.52,;-8.26,1.85,;-9.8,1.85,;-10.57,.52,;-9.8,-.82,;-10.28,-2.28,;-9.03,-3.19,;-7.79,-2.28,;-8.26,-.82,;1.75,3.19,;3.29,3.19,)|
BDBM107524 COC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.7,wD:11.11,(10.78,.52,;10.01,-.82,;8.47,-.82,;7.7,-2.15,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM107525 ClC1CC(C1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.8,wD:11.12,(11.1,.52,;9.56,.52,;8.47,1.61,;7.38,.52,;8.47,-.57,;5.84,.52,;5.07,-.82,;5.07,1.85,;3.53,1.85,;2.76,.52,;1.22,.52,;.45,1.85,;-1.09,1.85,;-1.86,.52,;-3.4,.52,;-4.17,-.82,;-5.71,-.82,;-6.48,.52,;-5.71,1.85,;-4.17,1.85,;-8.02,.52,;-8.79,1.85,;-10.33,1.85,;-11.1,.52,;-10.33,-.82,;-10.8,-2.28,;-9.56,-3.19,;-8.31,-2.28,;-8.79,-.82,;1.22,3.19,;2.76,3.19,)|
BDBM107526 O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.8,wD:11.12,(5.8,-.82,;6.57,.52,;8.11,.52,;8.88,-.82,;8.48,-2.3,;9.97,-2.7,;10.37,-1.21,;5.8,1.85,;4.26,1.85,;3.49,.52,;1.95,.52,;1.18,1.85,;-.36,1.85,;-1.13,.52,;-2.67,.52,;-3.44,-.82,;-4.98,-.82,;-5.75,.52,;-4.98,1.85,;-3.44,1.85,;-7.29,.52,;-8.06,1.85,;-9.6,1.85,;-10.37,.52,;-9.6,-.82,;-10.07,-2.28,;-8.83,-3.19,;-7.58,-2.28,;-8.06,-.82,;1.95,3.19,;3.49,3.19,)|
BDBM107527 CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.69,-2.62,;10.36,-3.39,;9.02,-2.62,;7.56,-3.1,;6.65,-1.85,;7.56,-.61,;6.79,.73,;5.25,.73,;4.48,-.61,;4.48,2.06,;2.94,2.06,;2.17,.73,;.63,.73,;-.14,2.06,;-1.68,2.06,;-2.45,.73,;-3.99,.73,;-4.76,-.61,;-6.3,-.61,;-7.07,.73,;-6.3,2.06,;-4.76,2.06,;-8.61,.73,;-9.38,2.06,;-10.92,2.06,;-11.69,.73,;-10.92,-.61,;-11.4,-2.07,;-10.15,-2.98,;-8.9,-2.07,;-9.38,-.61,;.63,3.39,;2.17,3.39,;9.02,-1.08,)|
BDBM107528 OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CCOCC1 |r,wU:6.5,wD:9.9,(6.65,-1.21,;8.14,-.82,;7.37,.52,;5.83,.52,;5.06,-.82,;5.06,1.85,;3.52,1.85,;2.75,.52,;1.21,.52,;.44,1.85,;-1.1,1.85,;-1.87,.52,;-3.41,.52,;-4.18,-.82,;-5.72,-.82,;-6.49,.52,;-5.72,1.85,;-4.18,1.85,;-8.03,.52,;-8.8,1.85,;-10.34,1.85,;-11.11,.52,;-10.34,-.82,;-10.82,-2.28,;-9.57,-3.19,;-8.33,-2.28,;-8.8,-.82,;1.21,3.19,;2.75,3.19,;8.54,-2.3,;10.02,-2.7,;11.11,-1.61,;10.71,-.13,;9.23,.27,)|
BDBM107529 CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,(10.01,.52,;8.47,.52,;8.47,-1.02,;8.47,2.06,;6.93,.52,;6.16,-.82,;6.16,1.85,;4.62,1.85,;3.85,.52,;2.31,.52,;1.54,1.85,;,1.85,;-.77,.52,;-2.31,.52,;-3.08,-.82,;-4.62,-.82,;-5.39,.52,;-4.62,1.85,;-3.08,1.85,;-6.93,.52,;-7.7,1.85,;-9.24,1.85,;-10.01,.52,;-9.24,-.82,;-9.72,-2.28,;-8.47,-3.19,;-7.22,-2.28,;-7.7,-.82,;2.31,3.19,;3.85,3.19,)|
BDBM107530 CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,2.2,wD:10.10,(8.86,3.19,;9.63,1.85,;8.86,.52,;9.63,-.82,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.24,.52,;2.7,.52,;1.93,1.85,;.39,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.7,3.19,;4.24,3.19,)|
BDBM107531 CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,2.2,(8.86,3.19,;9.63,1.85,;8.86,.52,;9.63,-.82,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.24,.52,;2.7,.52,;1.93,1.85,;.39,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.7,3.19,;4.24,3.19,)|
BDBM107532 CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.7,wD:11.11,(9.73,-2.15,;8.96,-.82,;7.62,-1.59,;10.29,-.05,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM107533 Clc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,1.85,;7.7,1.85,;6.93,.52,;7.7,-.82,;9.24,-.82,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM107534 Fc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,-.82,;7.7,-.82,;6.93,.52,;7.7,1.85,;9.24,1.85,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM107535 O[C@@H](C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C(F)(F)F |r,wU:5.4,1.0,wD:8.8,(8.96,-.82,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,;8.96,1.85,;9.73,3.19,;7.62,2.62,;10.29,1.08,)|
BDBM107536 O[C@H](C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C(F)(F)F |r,wU:5.4,wD:8.8,1.0,(8.96,-.82,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,;8.96,1.85,;9.73,3.19,;7.62,2.62,;10.29,1.08,)|
BDBM107537 O=C(C[C@@H]1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,3.2,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107538 O=C(C[C@H]1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107539 O=C(C[C@@H]1CCCOC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,3.2,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107540 O=C(C[C@H]1CCCOC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)|
BDBM107541 CCOCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.7,wD:11.11,(11.55,-2.15,;10.01,-2.15,;9.24,-.82,;7.7,-.82,;6.93,.52,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM107542 OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CCC1 |r,wU:6.5,wD:9.9,(7.24,-1.59,;8.57,-.82,;7.8,.52,;6.26,.52,;5.49,-.82,;5.49,1.85,;3.95,1.85,;3.18,.52,;1.64,.52,;.87,1.85,;-.67,1.85,;-1.44,.52,;-2.98,.52,;-3.75,-.82,;-5.29,-.82,;-6.06,.52,;-5.29,1.85,;-3.75,1.85,;-7.6,.52,;-8.37,1.85,;-9.91,1.85,;-10.68,.52,;-9.91,-.82,;-10.38,-2.28,;-9.14,-3.19,;-7.89,-2.28,;-8.37,-.82,;1.64,3.19,;3.18,3.19,;9.34,-2.15,;10.68,-1.38,;9.91,-.05,)|
BDBM107543 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCCO1 |r,wU:3.2,wD:6.6,(5.75,-.82,;6.52,.52,;5.75,1.85,;4.21,1.85,;3.44,.52,;1.9,.52,;1.13,1.85,;-.41,1.85,;-1.18,.52,;-2.72,.52,;-3.49,-.82,;-5.03,-.82,;-5.8,.52,;-5.03,1.85,;-3.49,1.85,;-7.34,.52,;-8.11,1.85,;-9.65,1.85,;-10.42,.52,;-9.65,-.82,;-10.13,-2.28,;-8.88,-3.19,;-7.64,-2.28,;-8.11,-.82,;1.9,3.19,;3.44,3.19,;8.06,.52,;8.96,1.76,;10.42,1.29,;10.42,-.25,;8.96,-.73,)|
BDBM107544 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCOC1 |r,wU:3.2,wD:6.6,(5.75,-.82,;6.52,.52,;5.75,1.85,;4.21,1.85,;3.44,.52,;1.9,.52,;1.13,1.85,;-.41,1.85,;-1.18,.52,;-2.72,.52,;-3.5,-.82,;-5.04,-.82,;-5.81,.52,;-5.04,1.85,;-3.5,1.85,;-7.35,.52,;-8.12,1.85,;-9.66,1.85,;-10.43,.52,;-9.66,-.82,;-10.13,-2.28,;-8.89,-3.19,;-7.64,-2.28,;-8.12,-.82,;1.9,3.19,;3.44,3.19,;8.06,.52,;8.96,1.76,;10.43,1.29,;10.43,-.25,;8.96,-.73,)|
BDBM107545 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)|
BDBM107546 OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.7,wD:10.11,(8.89,-.97,;8.5,.52,;9.98,.92,;8.89,2.01,;6.96,.52,;6.19,-.82,;6.19,1.85,;4.65,1.85,;3.88,.52,;2.34,.52,;1.57,1.85,;.03,1.85,;-.74,.52,;-2.28,.52,;-3.05,-.82,;-4.59,-.82,;-5.36,.52,;-4.59,1.85,;-3.05,1.85,;-6.9,.52,;-7.67,1.85,;-9.21,1.85,;-9.98,.52,;-9.21,-.82,;-9.69,-2.28,;-8.44,-3.19,;-7.2,-2.28,;-7.67,-.82,;2.34,3.19,;3.88,3.19,)|
BDBM107547 FC(F)(F)C1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(9.09,-2.46,;8.7,-.97,;7.21,-1.37,;10.18,-.57,;8.3,.52,;9.78,.92,;8.7,2.01,;6.76,.52,;5.99,-.82,;5.99,1.85,;4.45,1.85,;3.68,.52,;2.14,.52,;1.37,1.85,;-.17,1.85,;-.94,.52,;-2.48,.52,;-3.25,-.82,;-4.79,-.82,;-5.56,.52,;-4.79,1.85,;-3.25,1.85,;-7.1,.52,;-7.87,1.85,;-9.41,1.85,;-10.18,.52,;-9.41,-.82,;-9.89,-2.28,;-8.64,-3.19,;-7.4,-2.28,;-7.87,-.82,;2.14,3.19,;3.68,3.19,)|
BDBM107548 CCC(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:7.6,wD:10.10,(8.86,3.19,;9.63,1.85,;8.86,.52,;9.63,-.82,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.24,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.7,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.7,1.85,;-6.54,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.24,3.19,)|
BDBM107549 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCS(=O)(=O)C1 |r,wU:3.2,wD:6.6,(5.08,-.82,;5.85,.52,;5.08,1.85,;3.54,1.85,;2.77,.52,;1.23,.52,;.46,1.85,;-1.08,1.85,;-1.85,.52,;-3.39,.52,;-4.16,-.82,;-5.7,-.82,;-6.47,.52,;-5.7,1.85,;-4.16,1.85,;-8.01,.52,;-8.78,1.85,;-10.32,1.85,;-11.09,.52,;-10.32,-.82,;-10.8,-2.28,;-9.55,-3.19,;-8.31,-2.28,;-8.78,-.82,;1.23,3.19,;2.77,3.19,;7.39,.52,;8.29,-.73,;9.76,-.25,;9.76,1.29,;11.09,.52,;10.53,2.62,;8.29,1.76,)|
BDBM107550 O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-1.48,;6.16,-.15,;7.7,-.15,;8.47,1.18,;10.01,1.18,;10.78,2.52,;10.01,3.85,;8.47,3.85,;7.7,2.52,;5.39,1.18,;3.85,1.18,;3.08,-.15,;1.54,-.15,;.77,1.18,;-.77,1.18,;-1.54,-.15,;-3.08,-.15,;-3.85,-1.48,;-5.39,-1.48,;-6.16,-.15,;-5.39,1.18,;-3.85,1.18,;-7.7,-.15,;-8.47,1.18,;-10.01,1.18,;-10.78,-.15,;-10.01,-1.48,;-10.49,-2.95,;-9.24,-3.85,;-7.99,-2.95,;-8.47,-1.48,;1.54,2.52,;3.08,2.52,)|
BDBM107551 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCC1 |r,wU:3.2,wD:6.6,(5.84,-.82,;6.61,.52,;5.84,1.85,;4.3,1.85,;3.53,.52,;1.99,.52,;1.22,1.85,;-.32,1.85,;-1.09,.52,;-2.63,.52,;-3.4,-.82,;-4.94,-.82,;-5.71,.52,;-4.94,1.85,;-3.4,1.85,;-7.25,.52,;-8.02,1.85,;-9.56,1.85,;-10.33,.52,;-9.56,-.82,;-10.04,-2.28,;-8.79,-3.19,;-7.54,-2.28,;-8.02,-.82,;1.99,3.19,;3.53,3.19,;8.15,.52,;9.24,-.57,;10.33,.52,;9.24,1.61,)|
BDBM107552 CS(=O)(=O)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.7,wD:11.11,(9.73,3.19,;8.96,1.85,;7.62,2.62,;10.29,1.08,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)|
BDBM107553 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)N1CCOCC1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,-.82,;7.7,-.82,;8.47,.52,;7.7,1.85,;6.16,1.85,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)|
BDBM107554 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)|
BDBM107555 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccc2OCCOc2c1 |r,wU:3.2,wD:6.6,(4.24,-.82,;5,.52,;4.24,1.85,;2.7,1.85,;1.92,.52,;.38,.52,;-.38,1.85,;-1.92,1.85,;-2.7,.52,;-4.24,.52,;-5,-.82,;-6.54,-.82,;-7.31,.52,;-6.54,1.85,;-5,1.85,;-8.85,.52,;-9.62,1.85,;-11.16,1.85,;-11.93,.52,;-11.16,-.82,;-11.64,-2.28,;-10.39,-3.19,;-9.15,-2.28,;-9.62,-.82,;.38,3.19,;1.92,3.19,;6.54,.52,;7.31,1.85,;8.85,1.85,;9.62,.52,;11.16,.52,;11.93,-.82,;11.16,-2.15,;9.62,-2.15,;8.85,-.82,;7.31,-.82,)|
BDBM107556 O=C(Cc1ccc2OCOc2c1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:13.14,wD:16.18,(4.56,-2.05,;5.33,-.72,;6.87,-.72,;7.64,.61,;6.87,1.95,;7.64,3.28,;9.18,3.28,;10.21,4.42,;11.61,3.8,;11.45,2.27,;9.95,1.95,;9.18,.61,;4.56,.61,;3.02,.61,;2.25,-.72,;.71,-.72,;-.06,.61,;-1.6,.61,;-2.37,-.72,;-3.91,-.72,;-4.68,-2.05,;-6.22,-2.05,;-6.99,-.72,;-6.22,.61,;-4.68,.61,;-8.53,-.72,;-9.3,.61,;-10.84,.61,;-11.61,-.72,;-10.84,-2.05,;-11.32,-3.52,;-10.07,-4.42,;-8.83,-3.52,;-9.3,-2.05,;.71,1.95,;2.25,1.95,)|
BDBM107557 O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1COc2ccccc2C1 |r,wU:3.2,wD:6.6,(4.24,-.82,;5,.52,;4.24,1.85,;2.7,1.85,;1.92,.52,;.38,.52,;-.38,1.85,;-1.92,1.85,;-2.7,.52,;-4.24,.52,;-5,-.82,;-6.54,-.82,;-7.31,.52,;-6.54,1.85,;-5,1.85,;-8.85,.52,;-9.62,1.85,;-11.16,1.85,;-11.93,.52,;-11.16,-.82,;-11.64,-2.28,;-10.39,-3.19,;-9.15,-2.28,;-9.62,-.82,;.38,3.19,;1.92,3.19,;6.54,.52,;7.31,-.82,;8.85,-.82,;9.62,.52,;11.16,.52,;11.93,1.85,;11.16,3.19,;9.62,3.19,;8.85,1.85,;7.31,1.85,)|
BDBM107558 CN1CCC(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(11.55,.52,;10.01,.52,;9.24,-.82,;7.7,-.82,;6.93,.52,;7.7,1.85,;9.24,1.85,;5.39,.52,;4.62,-.82,;4.62,1.85,;3.08,1.85,;2.31,.52,;.77,.52,;,1.85,;-1.54,1.85,;-2.31,.52,;-3.85,.52,;-4.62,-.82,;-6.16,-.82,;-6.93,.52,;-6.16,1.85,;-4.62,1.85,;-8.47,.52,;-9.24,1.85,;-10.78,1.85,;-11.55,.52,;-10.78,-.82,;-11.26,-2.28,;-10.01,-3.19,;-8.76,-2.28,;-9.24,-.82,;.77,3.19,;2.31,3.19,)|
BDBM107559 CC1(COC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:8.8,wD:11.12,(7.38,1.85,;8.15,.52,;9.24,-.57,;10.33,.52,;9.24,1.61,;6.61,.52,;5.84,-.82,;5.84,1.85,;4.3,1.85,;3.53,.52,;1.99,.52,;1.22,1.85,;-.32,1.85,;-1.09,.52,;-2.63,.52,;-3.4,-.82,;-4.94,-.82,;-5.71,.52,;-4.94,1.85,;-3.4,1.85,;-7.25,.52,;-8.02,1.85,;-9.56,1.85,;-10.33,.52,;-9.56,-.82,;-10.04,-2.28,;-8.79,-3.19,;-7.54,-2.28,;-8.02,-.82,;1.99,3.19,;3.53,3.19,)|
BDBM107560 CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CC1 |r,wU:10.9,2.1,wD:13.13,5.5,(10.01,-4.67,;10.78,-3.33,;10.01,-2,;8.47,-2,;7.7,-.67,;8.47,.67,;7.7,2,;6.16,2,;5.39,.67,;5.39,3.33,;3.85,3.33,;3.08,2,;1.54,2,;.77,3.33,;-.77,3.33,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.39,.67,;-6.16,2,;-5.39,3.33,;-3.85,3.33,;-7.7,2,;-8.47,3.33,;-10.01,3.33,;-10.78,2,;-10.01,.67,;-10.49,-.8,;-9.24,-1.7,;-7.99,-.8,;-8.47,.67,;1.54,4.67,;3.08,4.67,;10.01,.67,;10.78,-.67,)|
BDBM107561 C[C@@H](O)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,1.1,(9.62,-.82,;8.85,.52,;9.62,1.85,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM107562 OCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.62,-.82,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)|
BDBM107563 OC1(CCCCC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(6.93,-.82,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM107564 COC1(CCCCC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:11.11,wD:14.15,(7.7,-2.15,;6.93,-.82,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)|
BDBM107565 CN1CCN(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CC1 |r,wU:9.8,wD:12.12,(10.78,4.52,;10.01,3.19,;10.78,1.85,;10.01,.52,;8.47,.52,;7.7,-.82,;6.16,-.82,;5.39,-2.15,;5.39,.52,;3.85,.52,;3.08,-.82,;1.54,-.82,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,-2.15,;-5.39,-2.15,;-6.16,-.82,;-5.39,.52,;-3.85,.52,;-7.7,-.82,;-8.47,.52,;-10.01,.52,;-10.78,-.82,;-10.01,-2.15,;-10.49,-3.61,;-9.24,-4.52,;-7.99,-3.61,;-8.47,-2.15,;1.54,1.85,;3.08,1.85,;7.7,1.85,;8.47,3.19,)|
BDBM107566 CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;9.14,1.29,;6.47,-.25,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)|
BDBM107567 O=S(=O)(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccccc1 |r,wU:4.3,wD:7.7,(8.26,1.44,;6.93,.67,;5.6,-.1,;6.16,2,;4.62,2,;3.85,.67,;2.31,.67,;1.54,2,;,2,;-.77,.67,;-2.31,.67,;-3.08,-.67,;-4.62,-.67,;-5.39,.67,;-4.62,2,;-3.08,2,;-6.93,.67,;-7.7,2,;-9.24,2,;-10.01,.67,;-9.24,-.67,;-9.72,-2.13,;-8.47,-3.04,;-7.22,-2.13,;-7.7,-.67,;2.31,3.33,;3.85,3.33,;7.7,-.67,;6.93,-2,;7.7,-3.33,;9.24,-3.33,;10.01,-2,;9.24,-.67,)|
BDBM107568 Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:11.11,wD:14.15,(10.01,-4,;9.24,-2.67,;7.7,-2.67,;6.93,-1.33,;7.7,,;9.24,,;10.01,-1.33,;6.93,1.33,;8.26,2.1,;5.6,.56,;6.16,2.67,;4.62,2.67,;3.85,1.33,;2.31,1.33,;1.54,2.67,;,2.67,;-.77,1.33,;-2.31,1.33,;-3.08,,;-4.62,,;-5.39,1.33,;-4.62,2.67,;-3.08,2.67,;-6.93,1.33,;-7.7,2.67,;-9.24,2.67,;-10.01,1.33,;-9.24,,;-9.72,-1.46,;-8.47,-2.37,;-7.22,-1.46,;-7.7,,;2.31,4,;3.85,4,)|
BDBM107569 Cn1cnc(c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,wD:13.14,(8.62,-3.96,;8.62,-2.42,;9.86,-1.51,;9.39,-.05,;7.85,-.05,;7.37,-1.51,;7.08,1.29,;8.41,2.06,;5.74,.52,;6.31,2.62,;4.77,2.62,;4,1.29,;2.46,1.29,;1.69,2.62,;.15,2.62,;-.62,1.29,;-2.16,1.29,;-2.93,-.05,;-4.47,-.05,;-5.24,1.29,;-4.47,2.62,;-2.93,2.62,;-6.78,1.29,;-7.55,2.62,;-9.09,2.62,;-9.86,1.29,;-9.09,-.05,;-9.57,-1.51,;-8.32,-2.42,;-7.08,-1.51,;-7.55,-.05,;2.46,3.96,;4,3.96,)|
BDBM107570 FC(F)(F)C