BindingDB logo
myBDB logout

330 SMILES Strings for Metabotropic glutamate receptor 4 (mGlu4)

Compound NameSMILES String
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17664 N[C@@H](COP(O)(O)=O)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM23184 Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM55082 COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM55083 Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM55084 Fc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM55086 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O
BDBM55087 Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM55091 CC1(C)c2c1c(O)n(c2O)-c1ccc(NC(=O)c2ccccn2)cc1Cl |(19.1,-1.33,;18.33,,;19.1,1.33,;17,.77,;17,-.77,;15.54,-1.25,;15.06,-2.71,;14.63,,;15.54,1.25,;15.06,2.71,;13.09,,;12.32,-1.33,;10.78,-1.33,;10.01,,;8.47,,;7.7,-1.33,;8.47,-2.67,;6.16,-1.33,;5.39,,;3.85,,;3.08,-1.33,;3.85,-2.67,;5.39,-2.67,;10.78,1.33,;12.32,1.33,;13.09,2.67,)|
BDBM55093 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
BDBM55094 Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
BDBM55095 CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM77724 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccnc2)s1
BDBM82250 N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|
BDBM82251 N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM82252 N[C@@H](C(O)=O)c1cccc(O)c1 |r|
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM82006 N[C@H](CCP(O)(O)=O)C(O)=O |r|
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM85015 CC(N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O
BDBM85016 CC(N)(CCP(O)(O)=O)C(O)=O
BDBM85017 N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85348 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85349 CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85351 Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85352 N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85353 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85354 N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85355 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85356 N[C@H](CCCC(O)=O)C(O)=O |r|
BDBM196906 N[C@@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)cc1)C(O)=O |r|
BDBM196907 COc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM50004051 NC(CCP(O)(O)=O)C(O)=O
BDBM50004863 N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50004881 NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50007547 NC1(CC1CP(O)(O)=O)C(O)=O
BDBM50007548 N[C@@H](CCP(O)(O)=O)C(O)=O |r|
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50031702 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O
BDBM50030627 CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030629 NC(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50034501 N[C@H](C(O)=O)c1cc(=O)[nH]o1
BDBM50034503 N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
BDBM50034504 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50038038 N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
BDBM50053585 N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50053586 N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
BDBM50053588 N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM50053589 N[C@H](C(O)=O)c1cccc(O)c1
BDBM50052256 N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052398 N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
BDBM50052551 Cc1o[nH]c(=O)c1CCC(N)C(O)=O
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50056272 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50060137 N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50060718 Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
BDBM50060719 Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
BDBM50069348 C[C@](N)(Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM50069349 N[C@@](Cc1ccccc1)(Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM50079183 N[C@H](C(O)=O)c1cc(O)cc(O)c1
BDBM50088230 CCC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50089910 CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50089105 NC1(CC(C1)=CP(O)(O)=O)C(O)=O |(12.3,1,;12.3,-.54,;10.76,-.54,;10.76,-2.1,;12.3,-2.08,;9.68,-3.2,;8.14,-3.2,;7.05,-4.29,;8.54,-4.67,;7.73,-1.7,;13.84,-.54,;14.61,-1.85,;14.61,.79,)|
BDBM50098248 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
BDBM50109652 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
BDBM50109653 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
BDBM50109654 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
BDBM50109655 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
BDBM50109656 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
BDBM50109657 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
BDBM50109658 N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
BDBM50118479 N[C@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118480 N[C@@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118481 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50130515 N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50130516 N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50138781 C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
BDBM50138783 N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
BDBM50138784 N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
BDBM50151435 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50164445 N[C@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM50164448 N[C@H](CC(=C)C(O)=O)C(O)=O
BDBM50174527 CP(O)(=O)CC[C@H](N)C(O)=O
BDBM50175072 N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50175073 N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
BDBM50174515 N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50174516 NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|
BDBM50174517 NC(CC1CC(=NO1)C(O)=O)C(O)=O |c:5|
BDBM50174519 N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50178684 CC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50191052 N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
BDBM50208759 NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|
BDBM50208756 NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|
BDBM50208757 NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|
BDBM50208758 NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|
BDBM50208760 NC(C(O)=O)c1cnn(O)c1Br |w:1.0|
BDBM50208761 NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|
BDBM50208762 NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|
BDBM50208763 CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|
BDBM50208764 CCc1c(cnn1O)C(N)C(O)=O |w:8.9|
BDBM50208765 NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
BDBM50208766 CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|
BDBM50208767 CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|
BDBM50207811 NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207812 NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207813 NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207814 NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50207810 NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50217031 N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50220009 N[C@@H](CCP(O)=O)C(O)=O
BDBM50220011 N[C@@H](CCP(O)(O)=S)C(O)=O
BDBM50263669 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|
BDBM50252047 N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252048 COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252049 N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252050 N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
BDBM50252051 CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50293714 COc1cc(NC(=O)c2ccccn2)ccc1F
BDBM50293715 O=C(Nc1ccc2OCOc2c1)c1ccccn1
BDBM50293716 COc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50293717 COc1ccc(NC(=O)c2ccccn2)cc1OC
BDBM50293718 COc1cc(NC(=O)c2ccccn2)ccc1C
BDBM50293719 FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1
BDBM50293720 FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
BDBM50293721 COc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293722 FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
BDBM50293737 COc1cc(NC(=O)c2ccccn2)ncn1
BDBM50293738 FC(F)(F)c1cccc(NC(=O)c2ccccn2)n1
BDBM50293739 Fc1ccc(NC(=O)c2ccccn2)cc1C(F)(F)F
BDBM50293741 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293742 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1C#N
BDBM50293743 Clc1cccc(NC(=O)c2ccccn2)c1
BDBM50288204 OC(=O)C[C@H]1CN[C@@H]1C(O)=O
BDBM50314793 N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|
BDBM50314794 N[C@@H](CCP(O)(=O)CC(O)=O)C(O)=O |r|
BDBM50314795 N[C@@H](CCP(O)(=O)CCCC(O)=O)C(O)=O |r|
BDBM50314796 OC(=O)CCP(O)(=O)CCC(=N)C(O)=O
BDBM50314797 N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O |r|
BDBM50314798 N[C@@H](CCP(O)(O)C1=CC(=O)OC1)C(O)=O |r,t:7|
BDBM50314799 N[C@@H](CCP(O)(O)C=C1CCOC1=O)C(O)=O |r,w:7.6|
BDBM50314800 N[C@@H](CCP(O)(=O)CC(CCO)C(O)=O)C(O)=O |r|
BDBM50314801 N[C@@H](CCP(O)(=O)CC(CC(O)=O)C(O)=O)C(O)=O |r|
BDBM50314802 N[C@@H](CCP(O)(O)C(=O)C(O)=O)C(O)=O |r|
BDBM50314803 N[C@@H](CCCP(O)=O)C(O)=O |r|
BDBM50314804 N[C@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|
BDBM50314805 OC(=O)C(=N)CCP(O)(O)CCP(O)(O)=O
BDBM50314806 NC(CCP(O)(=O)C(CC(O)=O)C(O)=O)C(O)=O
BDBM50314807 N[C@@H](CCP(O)(=O)C(CC(O)=O)C(F)(F)F)C(O)=O |r|
BDBM50314808 N[C@@H](CCP(O)(=O)C(CC(O)=O)CC(O)=O)C(O)=O |r|
BDBM50314809 CC(CP(O)(=O)CC[C@H](N)C(O)=O)C(O)=O |r|
BDBM50314810 N[C@@H](CCP(O)(O)C(=O)C1CC1C(O)=O)C(O)=O |r|
BDBM50323546 Nc1nccc(\C=C\c2ccccc2)n1
BDBM50336614 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1
BDBM50336615 Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(Cl)c1
BDBM50336616 CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336617 Fc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336623 Fc1ccc(C(=O)n2ccc3cc(NC(=O)c4ccccn4)ccc23)c(Cl)c1
BDBM50336624 COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc12
BDBM50336625 COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl
BDBM50336626 COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl
BDBM50336627 COc1cc(NC(=O)C2CCCO2)ccc1NC(=O)c1ccccc1Cl
BDBM50336628 COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl
BDBM50336629 COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336630 COc1cc(NC(=O)c2cnccn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336631 COc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336632 COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl
BDBM50336633 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336634 Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50336635 Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336636 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)C1CCCCC1
BDBM50358783 Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
BDBM50358173 Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wD:3.2,6.9,c:7,THB:1:2:4.5:7.8,10:9:4.5:7.8,(26.53,-38.31,;26.23,-36.8,;27.26,-35.66,;28.79,-35.68,;29.57,-34.36,;28.81,-33.02,;27.28,-33.01,;27.27,-34.55,;28.76,-34.14,;26.51,-34.33,;24.99,-34.63,;23.86,-33.59,;24.83,-36.16,;23.51,-36.96,;22.16,-36.22,;20.85,-37.01,;20.87,-38.55,;19.55,-39.35,;18.2,-38.6,;18.18,-37.06,;16.88,-39.39,;16.91,-40.92,;15.59,-41.72,;14.24,-40.97,;14.21,-39.43,;15.53,-38.64,;22.22,-39.3,;23.54,-38.51,;24.89,-39.26,)|
BDBM50358174 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
BDBM50358175 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccncn1
BDBM50358176 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1nccs1
BDBM50358177 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1cscn1
BDBM50358178 Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(.26,-21.79,;1.4,-22.83,;2.91,-22.53,;3.69,-21.21,;5.21,-21.22,;5.97,-22.56,;5.19,-23.88,;3.66,-23.86,;2.63,-25,;2.94,-26.51,;1.23,-24.36,;-.09,-25.16,;-1.43,-24.42,;-2.75,-25.21,;-2.73,-26.75,;-4.05,-27.54,;-5.4,-26.79,;-5.42,-25.25,;-6.72,-27.59,;-6.69,-29.12,;-8,-29.92,;-9.36,-29.17,;-9.38,-27.63,;-8.06,-26.84,;-1.38,-27.5,;-.06,-26.71,;1.29,-27.46,)|
BDBM50358179 Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
BDBM50373179 N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373180 N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373181 N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373182 N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50378891 Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(F)c1
BDBM50378892 Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50378893 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cncs1
BDBM50378894 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1nccs1
BDBM50378895 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cccs1
BDBM50378896 Cn1c(cc2ccccc12)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50378897 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(o1)-c1ccccc1
BDBM50398728 OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
BDBM50398743 COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
BDBM50398744 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
BDBM50387821 N[C@@]1(C[C@@]1(F)C(=O)P(O)(O)O)C(O)=O |r|
BDBM50387822 N[C@]1(C[C@@]1(F)C(=O)P(O)(O)O)C(O)=O |r|
BDBM50387817 N[C@@]1(C[C@@]1(F)CP(O)(O)=O)C(O)=O |r|
BDBM50387818 N[C@@]1(C[C@@]1(F)CCC(O)=O)C(O)=O |r|
BDBM50387819 N[C@@]1(C[C@@]1(F)CC(O)=O)C(O)=O |r|
BDBM50387820 N[C@@]1(C[C@@]1(F)CS(O)(=O)=O)C(O)=O |r|
BDBM50426289 N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
BDBM50426290 N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
BDBM50426285 CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426287 NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426288 NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM196908 COc1cc(cc(OC)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM50022759 Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
BDBM50017264 CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
BDBM50088290 NC1(CC1(F)CP(O)(O)=O)C(O)=O
BDBM50031307 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2cccc(Br)c2C1=O
BDBM50031310 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2cccc(I)c2C1=O
BDBM50031312 Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50031313 Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM196920 N[C@H](CCP(O)(=O)C(O)c1cccc(OCC(O)=O)c1)C(O)=O |r,w:7.7|
BDBM196909 COc1cc(cc(c1OCC(O)=O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196910 COc1cc(cc(F)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196911 COc1cc(cc(Cl)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196912 COc1cc(cc(I)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196913 N[C@H](CCP(O)(=O)C(O)c1cc(Cl)c(OCC(O)=O)c(Cl)c1)C(O)=O |r|
BDBM196914 Cc1cc(cc(C)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196915 N[C@H](CCP(O)(=O)C(O)c1ccc(\C=C\C(O)=O)cc1)C(O)=O |r|
BDBM196916 N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O |r|
BDBM196917 N[C@H](CCP(O)(=O)C(O)c1ccc(OCCO)cc1)C(O)=O |r|
BDBM196918 N[C@H](CCP(O)(=O)C(O)c1ccc(OCP(O)(O)=O)cc1)C(O)=O |r|
BDBM196919 N[C@H](CCP(O)(=O)C(O)c1cccc(OCC(O)=O)c1)C(O)=O |r|
BDBM196922 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(O)=O |r|
BDBM196923 CCOc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|
BDBM196924 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|
BDBM196925 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|
BDBM196926 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(O)c1)C(O)=O |r|
BDBM196927 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(O)=O)C(O)=O |r|
BDBM196928 N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|
BDBM196929 N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|
BDBM196930 N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)cc1)C(O)=O |r|
BDBM196932 N[C@H](CCP(O)(=O)C(O)c1cc(F)c(OCC(O)=O)c(F)c1)C(O)=O |r|
BDBM196933 CC(Oc1ccc(cc1)C(O)P(O)(=O)CC[C@@H](N)C(O)=O)C(O)=O |r|
BDBM196934 N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)cc1)C(O)=O |r|
BDBM196935 COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)ccc1OCC(O)=O |r|
BDBM196936 N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|
BDBM196937 N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|
BDBM196938 COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(F)c1OCC(O)=O |r|
BDBM196939 COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(Cl)c1OCC(O)=O |r|
BDBM50116515 Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1
BDBM50116516 [H][C@]12C[C@]([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |r,c:5|
BDBM50159148 [H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50159150 [H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50159147 [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50166956 CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
BDBM50166968 Nc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50159146 [H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM182939 Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1cccnc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;4,.77,;4,-.77,)|
BDBM182940 Cn1c2c(OCC(F)F)cccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5,;2.67,3.46,;4,2.7,;5.33,3.47,;5.33,5.01,;6.67,5.78,;8,5.01,;9.34,5.78,;8,3.47,;6.67,2.7,;6.67,1.16,;5.33,.39,;4,1.16,;2.67,.39,;2.67,-1.15,;1.33,1.16,;-0,.38,;-1.33,1.15,;-1.33,2.69,;-2.67,.38,;-2.67,-1.16,;-1.33,-1.92,;-0,-1.16,;1.33,-1.93,;-4,-1.93,;-5.33,-2.7,;-6.67,-3.47,;-8,-2.7,;-9.34,-3.47,;-9.34,-5.01,;-8,-5.78,;-6.67,-5.01,;1.33,2.7,;-0,3.47,)|
BDBM182867 Cn1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182868 Cc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|
BDBM182869 Cn1c2c(Cl)cccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;6.67,5.39,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182870 Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;7.34,3.08,;8.67,3.85,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.34,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.34,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|
BDBM182871 Cc1ccc2c(c1)n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8.67,3.85,;7.34,3.08,;7.34,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.34,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.34,-5.39,;-6,-4.62,;3.33,.77,;3.33,-.77,)|
BDBM182872 Clc1cc(ccc1-n1c(=O)[nH]c2ncccc2c1=O)C#Cc1ccccc1 |(,3.85,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;1.33,1.54,;2.67,2.31,;2.67,3.85,;1.33,4.62,;4,4.62,;5.33,3.85,;6.67,4.62,;8,3.85,;8,2.31,;6.67,1.54,;5.33,2.31,;4,1.54,;4,,;-2.67,-.77,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,)|
BDBM182873 Cn1c2ncccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182874 CCc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5,;6.67,3.46,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;4,5,;2.67,2.69,;1.33,3.46,;2.67,1.15,;1.33,.38,;1.33,-1.16,;,-1.93,;-1.33,-1.16,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.38,;4,-1.16,)|
BDBM182875 Cn1c2cccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182876 Cn1c2ccncc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182877 Cn1cnc2n(C)c(=O)n(-c3ccc(cc3Cl)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|
BDBM182878 Clc1cc(ccc1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(,3.08,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|
BDBM182879 CC(C)n1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|
BDBM182880 CCn1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(5.33,5.78,;4,5,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|
BDBM182881 Cn1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;-0,-1.54,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182882 Clc1cc(ccc1-n1c(=O)[nH]c2ncncc2c1=O)C#Cc1ccccc1 |(-0,3.85,;-0,2.31,;-1.33,1.54,;-1.33,-0,;-0,-.77,;1.33,-0,;1.33,1.54,;2.67,2.31,;2.67,3.85,;1.33,4.62,;4,4.62,;5.33,3.85,;6.67,4.62,;8,3.85,;8,2.31,;6.67,1.54,;5.33,2.31,;4,1.54,;4,0,;-2.67,-.77,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,)|
BDBM182883 Cn1c2ncncc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;-0,-1.54,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182884 Cn1c2ccc(F)cc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;7.33,3.08,;7.33,1.54,;8.67,.77,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|
BDBM182885 Cn1c2c(F)c(F)ccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;6,5.39,;7.33,3.08,;8.67,3.85,;7.33,1.54,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|
BDBM182886 Cc1csc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.19,-.77,;-1.19,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|
BDBM182887 CC(C)n1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|
BDBM182888 CC(C)n1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2cccnc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-5.33,-5,;-6.67,-5.77,;-8,-5,;-8,-3.46,;-6.67,-2.69,;2.67,2.7,;1.33,3.47,)|
BDBM182889 Cn1c2ccccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182890 Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|
BDBM182891 Cn1c2ncccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182892 Cc1ccc2c(c1)n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8.67,3.85,;7.33,3.08,;7.33,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;3.33,.77,;3.33,-.77,)|
BDBM182893 Cc1csc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|
BDBM182894 Cc1csc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1cccnc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-5.19,-4.62,;-6.52,-5.39,;-7.85,-4.62,;-7.85,-3.08,;-6.52,-2.31,;4.15,.77,;4.15,-.77,)|
BDBM182895 Fc1cc(cc(F)c1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(-0,3.08,;-0,1.54,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|
BDBM182896 Fc1cc(cc(F)c1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1cccnc1 |(2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,)|
BDBM182897 Fc1cc(cc(F)c1-n1c(=O)[nH]c2ncsc2c1=O)C#Cc1ccccc1 |(2.82,-.77,;1.48,,;.15,-.77,;-1.18,,;-1.18,1.54,;.15,2.31,;.15,3.85,;1.48,1.54,;2.82,2.31,;2.82,3.85,;1.48,4.62,;4.15,4.62,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,;4.15,1.54,;4.15,,;-2.52,-.77,;-3.85,-1.54,;-5.19,-2.31,;-6.52,-1.54,;-7.85,-2.31,;-7.85,-3.85,;-6.52,-4.62,;-5.19,-3.85,)|
BDBM182898 Cn1c2ncsc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|
BDBM182899 Cn1cc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c2n1 |(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;2.05,1.54,;.71,.77,;.71,-.77,;2.05,-1.54,;-.62,-1.54,;-1.95,-.77,;-1.95,.77,;-.62,1.54,;-.62,3.08,;-3.29,-1.54,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-8.62,-3.08,;-8.62,-4.62,;-7.29,-5.39,;-5.96,-4.62,;3.38,.77,;3.38,-.77,;4.71,1.54,;6.18,1.06,)|
BDBM182900 Cn1ncc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|
BDBM182901 CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.71,5.78,;3.38,5,;2.05,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;2.05,-1.93,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-7.29,-2.69,;-8.62,-3.47,;-8.62,-5,;-7.29,-5.78,;-5.96,-5,;2.05,2.69,;.71,3.47,)|
BDBM182902 CC(C)n1c2cnn(C)c2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.82,5.78,;4.15,5,;5.48,5.78,;4.15,3.47,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;7.72,-.65,;5.48,1.15,;4.15,.38,;4.15,-1.15,;2.82,1.15,;1.48,.38,;1.48,-1.15,;2.82,-1.93,;.15,-1.93,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;.15,2.69,;-2.52,-1.93,;-3.85,-2.69,;-5.19,-3.47,;-6.52,-2.69,;-7.85,-3.47,;-7.85,-5,;-6.52,-5.78,;-5.19,-5,;2.82,2.69,;1.48,3.47,)|
BDBM182903 CC(C)n1c2ncccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;2.67,-1.93,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|
BDBM182904 Cc1ccnc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|
BDBM182905 Cn1c2nsnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|
BDBM182906 CC(C)n1c2nsnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(5.48,5.78,;4.15,5,;2.82,5.78,;4.15,3.47,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;5.48,1.15,;4.15,.38,;4.15,-1.15,;2.82,1.15,;1.48,.38,;1.48,-1.15,;2.82,-1.93,;.15,-1.93,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;.15,2.69,;-2.52,-1.93,;-3.85,-2.69,;-5.19,-3.47,;-6.52,-2.69,;-7.85,-3.47,;-7.85,-5,;-6.52,-5.78,;-5.19,-5,;2.82,2.69,;1.48,3.47,)|
BDBM182907 Cc1cccc2n(C)c(=O)n(-c3ccc(cc3Cl)C#Cc3ccccc3)c(=O)c12 |(6.67,-.77,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,;5.33,1.54,)|
BDBM182908 CC(C)n1c2ccccc2c(=O)n(-c2c(F)cc(cc2Cl)C#Cc2cccnc2)c1=O |(5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;2.67,-1.92,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;2.67,2.69,;1.33,3.47,)|
BDBM182909 Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1Cl)C#Cc1cccnc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;4,.77,;4,-.77,)|
BDBM182910 Cn1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182911 CC(C)n1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|
BDBM182912 Cc1cccc2c1n(C)c(=O)n(-c1ncc(cc1Cl)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|
BDBM182913 Clc1cc(cnc1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(,3.08,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|
BDBM182914 Cn1c2ccccc2c(=O)n(-c2ncc(cc2C(F)(F)F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,1.6,;0,3.14,;0,4.68,;-1.54,3.14,;1.54,3.14,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182915 Cc1cccc2c1n(C)c(=O)n(-c1ncc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|
BDBM182916 COCCn1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(6.67,6.93,;5.33,6.16,;5.33,4.62,;4,3.85,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;4,-.77,;4,-2.31,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;,1.54,;-2.67,-3.08,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-8,-6.16,;-6.67,-6.93,;-5.33,-6.16,;2.67,1.54,;1.33,2.31,)|
BDBM182917 Cn1c2nc(sc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O)N1CCOCC1 |(1.84,5.39,;1.84,3.85,;3.17,3.08,;4.64,3.56,;5.54,2.31,;4.64,1.06,;3.17,1.54,;1.84,.77,;1.84,-.77,;.51,1.54,;-.83,.77,;-.83,-.77,;-2.16,-1.54,;-3.49,-.77,;-3.49,.77,;-2.16,1.54,;-2.16,3.08,;-4.83,-1.54,;-6.16,-2.31,;-7.5,-3.08,;-8.83,-2.31,;-10.16,-3.08,;-10.16,-4.62,;-8.83,-5.39,;-7.5,-4.62,;.51,3.08,;-.83,3.85,;7.08,2.31,;7.85,.98,;9.39,.98,;10.16,2.31,;9.39,3.64,;7.85,3.64,)|
BDBM182918 Cn1c2ncsc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|
BDBM182919 Clc1cc(ccc1-n1c(=O)n(C2CCC2)c2ccccc2c1=O)C#Cc1ccccc1 |(,1.99,;,.45,;-1.33,-.32,;-1.33,-1.86,;,-2.63,;1.33,-1.86,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-6.67,-3.4,;-8,-4.17,;-8,-5.71,;-6.67,-6.48,;-5.33,-5.71,)|
BDBM182920 CC(C)c1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(5.33,5.78,;6.67,5,;8,5.77,;6.67,3.46,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;4,5,;2.67,2.69,;1.33,3.46,;2.67,1.15,;1.33,.38,;1.33,-1.16,;,-1.93,;-1.33,-1.16,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.38,;4,-1.16,)|
BDBM182921 CC(C)n1c2ccccc2c(=O)n(-c2ccc(cn2)C#Cc2ccccc2)c1=O
BDBM182922 CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2F)C#Cc2ccccc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-7.29,-2.69,;-8.62,-3.47,;-8.62,-5,;-7.29,-5.78,;-5.96,-5,;2.05,2.69,;.71,3.47,)|
BDBM182923 CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;-.62,1.15,;-.62,2.69,;-1.95,.38,;-1.95,-1.15,;-.62,-1.93,;.71,-1.15,;2.05,-1.92,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|
BDBM182924 CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2Cl)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;2.05,-1.92,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|
BDBM182925 CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2Cl)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|
BDBM182926 CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(2.05,5.77,;3.38,5,;4.71,5.77,;3.38,3.46,;4.71,2.7,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.16,;3.38,.39,;3.38,-1.15,;2.05,1.16,;.71,.39,;.71,-1.15,;-.62,-1.92,;-1.96,-1.15,;-1.96,.39,;-.62,1.15,;-.62,2.69,;-3.29,-1.92,;-4.62,-2.69,;-5.96,-3.46,;-7.29,-2.69,;-8.62,-3.46,;-8.62,-5,;-7.29,-5.77,;-5.96,-5,;2.05,2.7,;.71,3.47,)|
BDBM182927 Cn1c2c(Cl)ccnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;6.67,5.39,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|
BDBM182928 Cn1cc2c(n1)n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8.62,2.31,;7.08,2.31,;6.18,1.06,;4.71,1.54,;4.71,3.08,;6.18,3.56,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;2.05,1.54,;.71,.77,;-.62,1.54,;-.62,3.08,;-1.96,.77,;-1.96,-.77,;-.62,-1.54,;.71,-.77,;2.05,-1.54,;-3.29,-1.54,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-8.62,-3.08,;-8.62,-4.62,;-7.29,-5.39,;-5.96,-4.62,;3.38,.77,;3.38,-.77,)|
BDBM182929 Cn1ncc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|
BDBM182930 CC(C)n1c2n[nH]cc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.82,5.77,;4.15,5,;5.48,5.77,;4.15,3.46,;5.48,2.7,;6.95,3.17,;7.85,1.93,;6.95,.68,;5.48,1.16,;4.15,.39,;4.15,-1.15,;2.82,1.16,;1.48,.39,;.15,1.15,;.15,2.69,;-1.19,.39,;-1.19,-1.15,;.15,-1.92,;1.48,-1.15,;2.82,-1.93,;-2.52,-1.92,;-3.85,-2.69,;-5.19,-3.46,;-6.52,-2.69,;-7.85,-3.46,;-7.85,-5,;-6.52,-5.77,;-5.19,-5,;2.82,2.7,;1.48,3.47,)|
BDBM182931 COc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5.01,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;5.33,2.7,;4,3.46,;4,5,;2.67,2.7,;1.33,3.47,;2.67,1.16,;1.33,.38,;1.33,-1.16,;-0,-1.92,;-1.33,-1.16,;-1.33,.38,;-0,1.15,;-0,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.39,;4,-1.15,)|
BDBM182932 Fc1cc(cc(F)c1-n1c(=O)n(C2COC2)c2ccccc2c1=O)C#Cc1ccccc1 |(-0,1.99,;-0,.45,;-1.33,-.32,;-1.33,-1.86,;-0,-2.63,;1.33,-1.86,;2.67,-2.63,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-6.67,-3.4,;-8,-4.17,;-8,-5.71,;-6.67,-6.48,;-5.33,-5.71,)|
BDBM182933 Cn1c2scnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.19,-.77,;-1.19,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|
BDBM182934 CC(C)n1c2nccnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;-0,1.15,;-0,2.69,;-1.33,.39,;-1.33,-1.15,;-0,-1.92,;1.33,-1.15,;2.67,-1.93,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|
BDBM182935 Cn1cnc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|
BDBM182936 COc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5.01,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;5.33,2.7,;4,3.46,;4,5,;2.67,2.7,;1.33,3.47,;2.67,1.16,;1.33,.38,;-0,1.15,;-0,2.69,;-1.33,.38,;-1.33,-1.16,;-0,-1.92,;1.33,-1.16,;2.67,-1.93,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.39,;4,-1.15,)|
BDBM182937 Fc1cc(cc(Cl)c1-n1c(=O)n(C2COC2)c2ccccc2c1=O)C#Cc1cccnc1 |(2.67,-2.63,;1.33,-1.86,;-0,-2.63,;-1.33,-1.86,;-1.33,-.32,;-0,.45,;-0,1.99,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-5.33,-5.71,;-6.67,-6.48,;-8,-5.71,;-8,-4.17,;-6.67,-3.4,)|
BDBM182938 CC(C)n1c2ccccc2c(=O)n(-c2c(F)cc(cc2C(F)(F)F)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;2.67,-1.93,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-0,4.23,;-1.54,2.69,;-1.09,3.78,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|