InChI=1S/C17H12ClN3O3/c1-10-8-11(21-17(24)20-15(22)9-19-21)6-7-12(10)16(23)13-4-2-3-5-14(13)18/h2-9H,1H3,(H,20,22,24)	1	Cc1cc(ccc1C(=O)c2ccccc2Cl)N3N=CC(=O)NC3=O	InChIKey=OWRSAHYFSSNENM-UHFFFAOYSA-N
InChI=1S/C18H12N4O3/c1-11-8-14(22-18(25)21-16(23)10-20-22)6-7-15(11)17(24)13-4-2-12(9-19)3-5-13/h2-8,10H,1H3,(H,21,23,25)	2	Cc1cc(ccc1C(=O)c2ccc(cc2)C#N)N3N=CC(=O)NC3=O	InChIKey=ZJYUMURGSZQFMH-UHFFFAOYSA-N
InChI=1S/C18H16ClN3O3/c1-10-7-14(22-18(25)21-15(23)9-20-22)8-11(2)16(10)17(24)12-3-5-13(19)6-4-12/h3-9,17,24H,1-2H3,(H,21,23,25)	3	Cc1cc(cc(C)c1C(O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O	InChIKey=YOMWDCALSDWFSV-UHFFFAOYSA-N
InChI=1S/C17H13N3O3/c1-11-2-4-12(5-3-11)16(22)13-6-8-14(9-7-13)20-17(23)19-15(21)10-18-20/h2-10H,1H3,(H,19,21,23)	4	Cc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O	InChIKey=PSOPUAQFGCRDIP-UHFFFAOYSA-N
InChI=1S/C17H12ClN3O3/c1-10-8-13(21-17(24)20-15(22)9-19-21)6-7-14(10)16(23)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,20,22,24)	5	Cc1cc(ccc1C(=O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O	InChIKey=KEZNSCMBVRNOHO-UHFFFAOYSA-N
InChI=1S/C17H13N3O3/c1-11-9-13(20-17(23)19-15(21)10-18-20)7-8-14(11)16(22)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21,23)	6	Cc1cc(ccc1C(=O)c2ccccc2)N3N=CC(=O)NC3=O	InChIKey=ZKEKOOJDMYTEMP-UHFFFAOYSA-N
InChI=1S/C17H11BrClN3O3/c1-9-6-10(18)2-4-12(9)16(24)13-5-3-11(7-14(13)19)22-17(25)21-15(23)8-20-22/h2-8H,1H3,(H,21,23,25)	7	Cc1cc(Br)ccc1C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O	InChIKey=OKZQSFTUAACQQS-UHFFFAOYSA-N
InChI=1S/C16H8Cl3N3O3/c17-8-1-3-10(12(18)5-8)15(24)11-4-2-9(6-13(11)19)22-16(25)21-14(23)7-20-22/h1-7H,(H,21,23,25)	8	Clc1ccc(C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O)c(Cl)c1	InChIKey=STDSVETYHZLIBJ-UHFFFAOYSA-N
InChI=1S/C17H12ClN3O5S/c1-27(25,26)12-5-2-10(3-6-12)16(23)13-7-4-11(8-14(13)18)21-17(24)20-15(22)9-19-21/h2-9H,1H3,(H,20,22,24)	9	CS(=O)(=O)c1ccc(cc1)C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O	InChIKey=NKQAZJTVQHGKAX-UHFFFAOYSA-N
InChI=1S/C42H44N4/c1-2-4-6-12-26-44-40-24-28-46(42-22-10-8-20-38(40)42)32-34-16-14-18-36(30-34)35-17-13-15-33(29-35)31-45-27-23-39(43-25-11-5-3-1)37-19-7-9-21-41(37)45/h7-10,13-24,27-30H,1-6,11-12,25-26,31-32H2/p+2/b43-39+,44-40+	10	C1CCCCCNc2cc[n+](Cc3cccc(c3)c4cccc(C[n+]5ccc(NCCCC1)c6ccccc56)c4)c7ccccc27	InChIKey=QFSGJJCWIIUQCT-UHFFFAOYSA-P
InChI=1S/C43H56N8O8S/c1-26(2)23-35-41(57)47-31(19-22-60-3)43(59)50-20-10-15-34(50)40(56)45-29(16-17-36(44)52)37(53)48-33(25-28-13-8-5-9-14-28)39(55)49-32(24-27-11-6-4-7-12-27)38(54)46-30-18-21-51(35)42(30)58/h4-9,11-14,18,21,26,29-35H,10,15-17,19-20,22-25H2,1-3H3,(H2,44,52)(H,45,56)(H,46,54)(H,47,57)(H,48,53)(H,49,55)/t29-,30?,31+,32-,33+,34+,35-/m1/s1	11	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C1=O)C2=O	InChIKey=MOLWLGMZNWLFFC-NVJOVLQXSA-N
InChI=1S/C40H52N8O9S/c1-23(2)19-32-39(56)44-28(16-18-58-3)35(52)42-22-34(51)43-27(13-14-33(41)50)36(53)46-31(21-25-9-11-26(49)12-10-25)38(55)47-30(20-24-7-5-4-6-8-24)37(54)45-29-15-17-48(32)40(29)57/h4-12,15,17,23,27-32,49H,13-14,16,18-22H2,1-3H3,(H2,41,50)(H,42,52)(H,43,51)(H,44,56)(H,45,54)(H,46,53)(H,47,55)/t27-,28+,29?,30-,31+,32-/m1/s1	12	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC1=O)C2=O	InChIKey=OZKMIBSHXHXREB-PYMRPGBCSA-N
InChI=1S/C36H47N7O6S/c1-21(2)17-28-34(47)40-27(15-16-50-3)33(46)39-26(13-14-31(37)44)32(45)43-30(19-23-20-38-25-12-8-7-11-24(23)25)36(49)42-29(35(48)41-28)18-22-9-5-4-6-10-22/h4-12,20-21,26-30,38H,13-19H2,1-3H3,(H2,37,44)(H,39,46)(H,40,47)(H,41,48)(H,42,49)(H,43,45)/t26-,27+,28-,29-,30+/m1/s1	13	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](CCC(=O)N)NC1=O	InChIKey=DEKUMZCJPNNXOG-JPGUHONBSA-N
InChI=1S/C42H55N7O6S/c1-27(2)23-36-41(54)46-32(19-22-56-3)38(51)43-20-12-5-4-9-17-37(50)45-35(25-29-26-44-31-16-11-10-15-30(29)31)40(53)48-34(24-28-13-7-6-8-14-28)39(52)47-33-18-21-49(36)42(33)55/h6-8,10-11,13-16,18,21,26-27,32-36,44H,4-5,9,12,17,19-20,22-25H2,1-3H3,(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)/t32-,33?,34+,35-,36+/m1/s1	14	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)CCCCCCNC1=O)C2=O	InChIKey=WJJUVGVTGRRHFV-FSTIPRKLSA-N
InChI=1S/C17H12ClN3O3S/c1-25-12-5-2-10(3-6-12)16(23)13-7-4-11(8-14(13)18)21-17(24)20-15(22)9-19-21/h2-9H,1H3,(H,20,22,24)	15	CSc1ccc(cc1)C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O	InChIKey=AHSGSKZYZFQYPJ-UHFFFAOYSA-N
InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28-,29+,30?,31-,32+,33-/m0/s1	17	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)N)NC1=O)C2=O	InChIKey=SMJMIHPLRYWRMV-YFYPIKANSA-N
InChI=1S/C38H49N7O7S/c1-23(2)20-31-37(51)41-27(17-19-53-3)34(48)40-26(14-15-32(39)46)33(47)43-30(22-25-12-8-5-9-13-25)36(50)44-29(21-24-10-6-4-7-11-24)35(49)42-28-16-18-45(31)38(28)52/h4-13,16,18,23,26-31H,14-15,17,19-22H2,1-3H3,(H2,39,46)(H,40,48)(H,41,51)(H,42,49)(H,43,47)(H,44,50)/t26?,27-,28?,29+,30-,31+/m1/s1	18	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)C(CCC(=O)N)NC1=O)C2=O	InChIKey=VXIKHSPFWJMZRW-PZEIPPKYSA-N
InChI=1S/C16H9Cl2N3O3/c17-10-3-1-9(2-4-10)15(23)12-6-5-11(7-13(12)18)21-16(24)20-14(22)8-19-21/h1-8H,(H,20,22,24)	21	Clc1ccc(cc1)C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O	InChIKey=NIRBVFLCQJVJOQ-UHFFFAOYSA-N
InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+	23	Br\C=C\1/CCC(C(=O)O1)c2cccc3ccccc23	InChIKey=BYUCSFWXCMTYOI-ZRDIBKRKSA-N
InChI=1S/C16H13IO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+	24	I\C=C\1/CCC(C(=O)O1)c2cccc3ccccc23	InChIKey=ZJGPRRLHNMNINO-ZRDIBKRKSA-N
InChI=1S/C18H14O2/c1-2-6-14-11-12-17(18(19)20-14)16-10-5-8-13-7-3-4-9-15(13)16/h1,3-10,17H,11-12H2/b14-6+	25	O=C1O\C(=C\C#C)\CCC1c2cccc3ccccc23	InChIKey=NHOIHEBFAKOZIE-MKMNVTDBSA-N
InChI=1S/C16H13IO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10-	26	I\C=C/1\CCC(C(=O)O1)c2cccc3ccccc23	InChIKey=ZJGPRRLHNMNINO-BENRWUELSA-N
InChI=1S/C16H11N3O3/c20-14-10-17-19(16(22)18-14)13-8-6-12(7-9-13)15(21)11-4-2-1-3-5-11/h1-10H,(H,18,20,22)	27	O=C(c1ccccc1)c2ccc(cc2)N3N=CC(=O)NC3=O	InChIKey=KXRCWAXGSZBUMP-UHFFFAOYSA-N
InChI=1S/C16H11Cl2N3O3/c17-10-3-1-9(2-4-10)15(23)12-6-5-11(7-13(12)18)21-16(24)20-14(22)8-19-21/h1-8,15,23H,(H,20,22,24)	28	OC(c1ccc(Cl)cc1)c2ccc(cc2Cl)N3N=CC(=O)NC3=O	InChIKey=PDYOESYMTUGYJT-UHFFFAOYSA-N
InChI=1S/C16H10ClN3O3/c17-13-7-6-11(20-16(23)19-14(21)9-18-20)8-12(13)15(22)10-4-2-1-3-5-10/h1-9H,(H,19,21,23)	29	Clc1ccc(cc1C(=O)c2ccccc2)N3N=CC(=O)NC3=O	InChIKey=IRMUFUSLSOVJAG-UHFFFAOYSA-N
InChI=1S/C17H15N3O3/c1-11-9-13(20-17(23)19-15(21)10-18-20)7-8-14(11)16(22)12-5-3-2-4-6-12/h2-10,16,22H,1H3,(H,19,21,23)	30	Cc1cc(ccc1C(O)c2ccccc2)N3N=CC(=O)NC3=O	InChIKey=YWQVTKJCJCEWGL-UHFFFAOYSA-N
InChI=1S/C24H27N5O3/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-22(18)25)29-10-8-28(9-11-29)23(30)17-12-16(17)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H2,25,26,27)	31	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CC4c5ccccc5	InChIKey=QSRCXSDOJVDQBI-UHFFFAOYSA-N
InChI=1S/C17H13N3O4/c1-24-14-8-4-12(5-9-14)16(22)11-2-6-13(7-3-11)20-17(23)19-15(21)10-18-20/h2-10H,1H3,(H,19,21,23)	32	COc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O	InChIKey=PTPLFGAZASGDIE-UHFFFAOYSA-N
InChI=1S/C18H21N5O4S2/c1-26-14-10-12-13(11-15(14)27-2)20-18(21-17(12)19)22-5-7-23(8-6-22)29(24,25)16-4-3-9-28-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)	33	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)S(=O)(=O)c4cccs4	InChIKey=RYVAEGMROPOPOW-UHFFFAOYSA-N
InChI=1S/C41H54N8O7S/c1-24(2)20-31-38(53)45-30(17-19-57-3)37(52)44-29(15-16-35(42)50)36(51)46-32(22-26-23-43-28-13-8-7-12-27(26)28)39(54)48-33(21-25-10-5-4-6-11-25)41(56)49-18-9-14-34(49)40(55)47-31/h4-8,10-13,23-24,29-34,43H,9,14-22H2,1-3H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,51)(H,47,55)(H,48,54)/t29-,30+,31-,32+,33-,34+/m0/s1	34	CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)N)NC1=O	InChIKey=GSJQRVOGSIPXIA-NVDDXATDSA-N
InChI=1S/C42H53N9O8S/c1-24(2)19-34-41(58)47-30(16-18-60-3)37(54)45-23-36(53)46-29(13-14-35(43)52)38(55)50-33(21-26-22-44-28-12-8-7-11-27(26)28)40(57)49-32(20-25-9-5-4-6-10-25)39(56)48-31-15-17-51(34)42(31)59/h4-12,15,17,22,24,29-34,44H,13-14,16,18-21,23H2,1-3H3,(H2,43,52)(H,45,54)(H,46,53)(H,47,58)(H,48,56)(H,49,57)(H,50,55)/t29-,30+,31?,32-,33-,34-/m1/s1	35	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC1=O)C2=O	InChIKey=JGYALLUJXUYSBB-YHWXHNPVSA-N
InChI=1S/C40H52N8O8S/c1-24(2)20-32-39(55)44-28(17-19-57-3)35(51)42-23-34(50)43-27(14-15-33(41)49)36(52)46-31(22-26-12-8-5-9-13-26)38(54)47-30(21-25-10-6-4-7-11-25)37(53)45-29-16-18-48(32)40(29)56/h4-13,16,18,24,27-32H,14-15,17,19-23H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,55)(H,45,53)(H,46,52)(H,47,54)/t27-,28+,29?,30-,31+,32-/m1/s1	36	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC1=O)C2=O	InChIKey=GDXKASJNOWDISW-PYMRPGBCSA-N
InChI=1S/C36H46N6O6S/c1-22(2)19-30-35(47)38-26(16-18-49-4)32(44)37-23(3)31(43)40-28(20-24-11-7-5-8-12-24)34(46)41-29(21-25-13-9-6-10-14-25)33(45)39-27-15-17-42(30)36(27)48/h5-15,17,22-23,26-30H,16,18-21H2,1-4H3,(H,37,44)(H,38,47)(H,39,45)(H,40,43)(H,41,46)/t23-,26-,27?,28-,29+,30+/m1/s1	37	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](C)NC1=O)C2=O	InChIKey=SMUMTHFOZMECNI-ZNCITZAKSA-N
InChI=1S/C42H44N4/c1-2-4-6-12-28-44-40-26-30-46(42-16-10-8-14-38(40)42)32-34-19-23-36(24-20-34)35-21-17-33(18-22-35)31-45-29-25-39(43-27-11-5-3-1)37-13-7-9-15-41(37)45/h7-10,13-26,29-30H,1-6,11-12,27-28,31-32H2/p+2/b43-39+,44-40+	38	C1CCCCCNc2cc[n+](Cc3ccc(cc3)c4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)c7ccccc27	InChIKey=NVFMGTWRSCHMNV-UHFFFAOYSA-P
InChI=1S/C32H26N4/c33-29-15-17-35(31-13-3-1-11-27(29)31)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34)28-12-2-4-14-32(28)36/h1-20,33-34H,21-22H2/p+2	39	Nc1cc[n+](Cc2cccc(c2)c3cccc(C[n+]4ccc(N)c5ccccc45)c3)c6ccccc16	InChIKey=CKEYKKQODPYQPS-UHFFFAOYSA-P
InChI=1S/C42H53N9O8S/c1-24(2)19-34-41(58)47-30(16-18-60-3)37(54)45-23-36(53)46-29(13-14-35(43)52)38(55)50-33(21-26-22-44-28-12-8-7-11-27(26)28)40(57)49-32(20-25-9-5-4-6-10-25)39(56)48-31-15-17-51(34)42(31)59/h4-12,15,17,22,24,29-34,44H,13-14,16,18-21,23H2,1-3H3,(H2,43,52)(H,45,54)(H,46,53)(H,47,58)(H,48,56)(H,49,57)(H,50,55)/t29-,30+,31?,32-,33?,34-/m1/s1	43	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC1=O)C2=O	InChIKey=JGYALLUJXUYSBB-VQMFTBPGSA-N
InChI=1S/C35H44N6O6S/c1-22(2)18-29-34(46)38-25(15-17-48-3)31(43)36-21-30(42)37-27(19-23-10-6-4-7-11-23)32(44)40-28(20-24-12-8-5-9-13-24)33(45)39-26-14-16-41(29)35(26)47/h4-14,16,22,25-29H,15,17-21H2,1-3H3,(H,36,43)(H,37,42)(H,38,46)(H,39,45)(H,40,44)/t25-,26?,27-,28+,29+/m1/s1	44	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CNC1=O)C2=O	InChIKey=GYZOWTXNXFMUOK-GRIBUZNISA-N
InChI=1S/C39H46N6O6S/c1-24(2)21-32-36(49)41-29(18-20-52-4)34(47)40-23-33(46)44-39(3,28-16-10-14-26-13-8-9-15-27(26)28)38(51)43-31(22-25-11-6-5-7-12-25)35(48)42-30-17-19-45(32)37(30)50/h5-17,19,24,29-32H,18,20-23H2,1-4H3,(H,40,47)(H,41,49)(H,42,48)(H,43,51)(H,44,46)/t29-,30?,31+,32+,39?/m1/s1	45	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(C)(NC(=O)CNC1=O)c4cccc5ccccc45)C2=O	InChIKey=ZHHNYUHLHUHISY-WDVAKOCISA-N
InChI=1S/C34H30N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-8,11-22,35-36H,9-10,23-24H2/p+2	46	Nc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16	InChIKey=SSYLZSFCNUGCEN-UHFFFAOYSA-P
InChI=1S/C34H28N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-22,35-36H,23-24H2/p+2/b10-9-	47	Nc1cc[n+](Cc2ccc(\C=C/c3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16	InChIKey=VERLYKWASWBHLC-KTKRTIGZSA-P
InChI=1S/C42H46N4/c1(3-5-17-29-43-39-27-31-45(33-35-19-9-7-10-20-35)41-25-15-13-23-37(39)41)2-4-6-18-30-44-40-28-32-46(34-36-21-11-8-12-22-36)42-26-16-14-24-38(40)42/h7-16,19-28,31-32H,1-6,17-18,29-30,33-34H2/p+2	48	C(CCCCCNc1cc[n+](Cc2ccccc2)c3ccccc13)CCCCNc4cc[n+](Cc5ccccc5)c6ccccc46	InChIKey=JFTHHZLVWUKENE-UHFFFAOYSA-P
InChI=1S/C44H46N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-28,31-32H,1-6,11-12,29-30,33-34H2/p+2/b18-17-,45-41+,46-42+	49	C1CCCCCNc2cc[n+](Cc3ccc(\C=C/c4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)cc3)c7ccccc27	InChIKey=XEMPJHUQLPZELF-UHFFFAOYSA-P
InChI=1S/C44H48N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-16,19-28,31-32H,1-6,11-12,17-18,29-30,33-34H2/p+2/b45-41+,46-42+	50	C1CCCCCNc2cc[n+](Cc3ccc(CCc4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)cc3)c7ccccc27	InChIKey=PWKOKPCVDQPYGH-UHFFFAOYSA-P
InChI=1S/C43H46N4/c1-2-4-6-12-28-45-41-26-30-47(43-16-10-8-14-39(41)43)33-37-23-19-35(20-24-37)31-34-17-21-36(22-18-34)32-46-29-25-40(44-27-11-5-3-1)38-13-7-9-15-42(38)46/h7-10,13-26,29-30H,1-6,11-12,27-28,31-33H2/p+2/b44-40+,45-41+	51	C1CCCCCNc2cc[n+](Cc3ccc(Cc4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)cc3)c7ccccc27	InChIKey=SXDHPHPRCINSFL-UHFFFAOYSA-P
InChI=1S/C33H26N4/c34-30-13-15-36(32-7-3-1-5-28(30)32)20-22-9-11-26-24(17-22)19-25-18-23(10-12-27(25)26)21-37-16-14-31(35)29-6-2-4-8-33(29)37/h1-18,34-35H,19-21H2/p+2	52	Nc1cc[n+](Cc2ccc3c(Cc4cc(C[n+]5ccc(N)c6ccccc56)ccc34)c2)c7ccccc17	InChIKey=USOMLPZSQWAHIS-UHFFFAOYSA-P
InChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+2	53	Nc1cc[n+](Cc2ccc(cc2)c3ccc(C[n+]4ccc(N)c5ccccc45)cc3)c6ccccc16	InChIKey=BJOSVLNMVXPCHZ-UHFFFAOYSA-P
InChI=1S/C17H11Cl2N3O3/c1-9-6-11(22-17(25)21-15(23)8-20-22)3-5-12(9)16(24)13-4-2-10(18)7-14(13)19/h2-8H,1H3,(H,21,23,25)	54	Cc1cc(ccc1C(=O)c2ccc(Cl)cc2Cl)N3N=CC(=O)NC3=O	InChIKey=LXXPLXZEGKRZIQ-UHFFFAOYSA-N
InChI=1S/C43H44N4/c1-2-4-6-12-24-45-41-22-26-47(43-16-10-8-14-39(41)43)31-33-18-20-37-35(28-33)29-34-27-32(17-19-36(34)37)30-46-25-21-40(44-23-11-5-3-1)38-13-7-9-15-42(38)46/h7-10,13-22,25-28H,1-6,11-12,23-24,29-31H2/p+2/b44-40+,45-41+	55	C1CCCCCNc2cc[n+](Cc3ccc4c(Cc5cc(C[n+]6ccc(NCCCC1)c7ccccc67)ccc45)c3)c8ccccc28	InChIKey=XTPOJZQDRYWGAK-UHFFFAOYSA-P
InChI=1S/C33H28N4/c34-30-17-19-36(32-7-3-1-5-28(30)32)22-26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)23-37-20-18-31(35)29-6-2-4-8-33(29)37/h1-20,34-35H,21-23H2/p+2	56	Nc1cc[n+](Cc2ccc(Cc3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16	InChIKey=YEQQDIAUPMSMFF-UHFFFAOYSA-P
InChI=1S/C30H36N6O6/c1-40-24-18-22-23(19-25(24)41-2)33-30(34-29(22)31)36-16-14-35(15-17-36)27(38)7-5-4-6-20-8-10-21(11-9-20)32-26(37)12-13-28(39)42-3/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,32,37)(H2,31,33,34)/b13-12+	58	COC(=O)\C=C\C(=O)Nc1ccc(CCCCC(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc4n3)cc1	InChIKey=RZYZZMZIPSVZRD-OUKQBFOZSA-N
InChI=1S/C23H27N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,24,25,26)	59	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)CCc4ccccc4	InChIKey=DCOWFYLEXDOVAM-UHFFFAOYSA-N
InChI=1S/C24H27N5O4/c1-31-17-7-4-16(5-8-17)6-9-22(30)28-10-12-29(13-11-28)24-26-19-15-21(33-3)20(32-2)14-18(19)23(25)27-24/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27)/b9-6+	60	COc1ccc(\C=C\C(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc4n3)cc1	InChIKey=SXZDDXORUMVOLG-RMKNXTFCSA-N
InChI=1S/C23H24FN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-10-8-28(9-11-29)21(30)7-6-15-4-3-5-16(24)12-15/h3-7,12-14H,8-11H2,1-2H3,(H2,25,26,27)/b7-6+	61	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4cccc(F)c4	InChIKey=COUFSDYBPKMKIF-VOTSOKGWSA-N
InChI=1S/C22H27N5O3/c1-29-18-11-16-17(12-19(18)30-2)24-22(25-20(16)23)27-7-5-26(6-8-27)21(28)15-10-13-3-4-14(15)9-13/h3-4,11-15H,5-10H2,1-2H3,(H2,23,24,25)	62	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CC5CC4C=C5	InChIKey=BMYIHODBDZAJOJ-UHFFFAOYSA-N
InChI=1S/C20H25N5O3/c1-4-5-6-7-18(26)24-8-10-25(11-9-24)20-22-15-13-17(28-3)16(27-2)12-14(15)19(21)23-20/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23)/b5-4+,7-6+	63	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\C=C\C	InChIKey=IGAQSPGTMPOCMT-YTXTXJHMSA-N
InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+	64	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccccc4	InChIKey=IKWCRLCFRBNCER-CMDGGOBGSA-N
InChI=1S/C23H24FN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+	65	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(F)cc4	InChIKey=DOCNVAAXJTVMNS-VMPITWQZSA-N
InChI=1S/C23H24ClN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+	66	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(Cl)cc4	InChIKey=XXAGUBHEBANERG-VMPITWQZSA-N
InChI=1S/C23H24FN5O3/c1-31-19-13-16-18(14-20(19)32-2)26-23(27-21(16)25)29-10-8-28(9-11-29)22(30)17(24)12-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,25,26,27)/b17-12-	67	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C(=C\c4ccccc4)\F	InChIKey=OJVQDVDDAFKCSK-ATVHPVEESA-N
InChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)	68	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)Nc4ccccc4	InChIKey=LWEWMCLJACLWLE-UHFFFAOYSA-N
InChI=1S/C28H30N6O6/c1-38-22-16-20-21(17-23(22)39-2)31-28(32-27(20)29)34-14-12-33(13-15-34)25(36)10-6-18-4-7-19(8-5-18)30-24(35)9-11-26(37)40-3/h4-11,16-17H,12-15H2,1-3H3,(H,30,35)(H2,29,31,32)/b10-6+,11-9+	69	COC(=O)\C=C\C(=O)Nc1ccc(\C=C\C(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc4n3)cc1	InChIKey=ZIGHRJYAWFIVQF-BBYAVRKXSA-N
InChI=1S/C21H30N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,23,30)(H2,22,24,25)	70	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\C4CCCCC4)\S	InChIKey=NJQZMRWOOJIQAI-UHFFFAOYSA-N
InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)	71	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4=CC5CCC4C=C5	InChIKey=MXXRJJCMLRPJOF-UHFFFAOYSA-N
InChI=1S/C21H25N5O4S/c1-14-4-6-15(7-5-14)31(27,28)26-10-8-25(9-11-26)21-23-17-13-19(30-3)18(29-2)12-16(17)20(22)24-21/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)	72	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)S(=O)(=O)c4ccc(C)cc4	InChIKey=GXPSJGHGAVNKAB-UHFFFAOYSA-N
InChI=1S/C21H24N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,22,24,25)	73	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\c4ccccc4)\S	InChIKey=GMHALCSWFDUNRX-UHFFFAOYSA-N
InChI=1S/C14H9N3O3S/c18-12-8-15-17(14(20)16-12)10-5-3-9(4-6-10)13(19)11-2-1-7-21-11/h1-8H,(H,16,18,20)	74	O=C(c1ccc(cc1)N2N=CC(=O)NC2=O)c3cccs3	InChIKey=RJEKIHQABSVVMV-UHFFFAOYSA-N
InChI=1S/C17H15N3O2/c1-12-9-15(20-17(22)19-16(21)11-18-20)8-7-14(12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,21,22)	75	Cc1cc(ccc1Cc2ccccc2)N3N=CC(=O)NC3=O	InChIKey=NRBLBHBWDRKIIY-UHFFFAOYSA-N
InChI=1S/C17H11Cl2N3O3/c1-9-6-12(22-17(25)21-14(23)8-20-22)7-13(19)15(9)16(24)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,23,25)	76	Cc1cc(cc(Cl)c1C(=O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O	InChIKey=DRZJIUZHBUPPIJ-UHFFFAOYSA-N
InChI=1S/C16H11N3O3/c20-14-10-17-19(16(22)18-14)13-8-4-7-12(9-13)15(21)11-5-2-1-3-6-11/h1-10H,(H,18,20,22)	77	O=C(c1ccccc1)c2cccc(c2)N3N=CC(=O)NC3=O	InChIKey=IHGFTWKQXYXZNJ-UHFFFAOYSA-N
InChI=1S/C18H14ClN3O3/c1-10-7-14(22-18(25)21-15(23)9-20-22)8-11(2)16(10)17(24)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,23,25)	78	Cc1cc(cc(C)c1C(=O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O	InChIKey=VPEXBAVKVHINPE-UHFFFAOYSA-N
InChI=1S/C18H14ClN3O3/c1-10-7-12(19)3-5-14(10)17(24)15-6-4-13(8-11(15)2)22-18(25)21-16(23)9-20-22/h3-9H,1-2H3,(H,21,23,25)	79	Cc1cc(Cl)ccc1C(=O)c2ccc(cc2C)N3N=CC(=O)NC3=O	InChIKey=OFUSQSZKDOPYKV-UHFFFAOYSA-N
InChI=1S/C11H8ClN3O3/c1-6(16)8-3-2-7(4-9(8)12)15-11(18)14-10(17)5-13-15/h2-5H,1H3,(H,14,17,18)	80	CC(=O)c1ccc(cc1Cl)N2N=CC(=O)NC2=O	InChIKey=ZXFQGGGCNLQIQP-UHFFFAOYSA-N
InChI=1S/C16H10ClN3O3/c17-13-8-11(20-16(23)19-14(21)9-18-20)6-7-12(13)15(22)10-4-2-1-3-5-10/h1-9H,(H,19,21,23)	81	Clc1cc(ccc1C(=O)c2ccccc2)N3N=CC(=O)NC3=O	InChIKey=QAIXHEHCPNLFRR-UHFFFAOYSA-N
InChI=1S/C19H17N3O3/c1-11-8-12(2)17(13(3)9-11)18(24)14-4-6-15(7-5-14)22-19(25)21-16(23)10-20-22/h4-10H,1-3H3,(H,21,23,25)	82	Cc1cc(C)c(C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O)c(C)c1	InChIKey=VIVNULWXPVIIGJ-UHFFFAOYSA-N
InChI=1S/C16H10ClN3O3/c17-12-5-1-10(2-6-12)15(22)11-3-7-13(8-4-11)20-16(23)19-14(21)9-18-20/h1-9H,(H,19,21,23)	83	Clc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O	InChIKey=YFCMCLDTQXKALJ-UHFFFAOYSA-N
InChI=1S/C17H14ClN3O3/c1-10-8-13(21-17(24)20-15(22)9-19-21)6-7-14(10)16(23)11-2-4-12(18)5-3-11/h2-9,16,23H,1H3,(H,20,22,24)	84	Cc1cc(ccc1C(O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O	InChIKey=RIPQISUYKHFAQD-UHFFFAOYSA-N
InChI=1S/C16H26N4/c1-2-7-18-16(5-1)14-20-10-8-19(9-11-20)13-15-4-3-6-17-12-15/h3-4,6,12,16,18H,1-2,5,7-11,13-14H2	85	C(C1CCCCN1)N2CCN(Cc3cccnc3)CC2	InChIKey=DRPRVZRXXKNQLM-UHFFFAOYSA-N
InChI=1S/C16H26N4/c1-2-6-18-16(3-1)14-20-11-9-19(10-12-20)13-15-4-7-17-8-5-15/h4-5,7-8,16,18H,1-3,6,9-14H2	86	C(C1CCCCN1)N2CCN(Cc3ccncc3)CC2	InChIKey=MOELVVIGJQKOLV-UHFFFAOYSA-N
InChI=1S/C17H28N4/c1-19-9-3-2-4-17(19)15-21-12-10-20(11-13-21)14-16-5-7-18-8-6-16/h5-8,17H,2-4,9-15H2,1H3	87	CN1CCCCC1CN2CCN(Cc3ccncc3)CC2	InChIKey=PZJPTHPHWYPBQZ-UHFFFAOYSA-N
InChI=1S/C17H28N4/c1-19-8-3-2-6-17(19)15-21-11-9-20(10-12-21)14-16-5-4-7-18-13-16/h4-5,7,13,17H,2-3,6,8-12,14-15H2,1H3	88	CN1CCCCC1CN2CCN(Cc3cccnc3)CC2	InChIKey=HCDQDLCIQSKJEO-UHFFFAOYSA-N
InChI=1S/C23H24BrN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+	89	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(Br)cc4	InChIKey=MHIHVTNOKUCTSW-VMPITWQZSA-N
InChI=1S/C13H13N3O3/c1-2-3-11(17)9-4-6-10(7-5-9)16-13(19)15-12(18)8-14-16/h4-8H,2-3H2,1H3,(H,15,18,19)	90	CCCC(=O)c1ccc(cc1)N2N=CC(=O)NC2=O	InChIKey=UCDCRZKJVUTXFG-UHFFFAOYSA-N
InChI=1S/C11H9N3O3/c1-7(15)8-2-4-9(5-3-8)14-11(17)13-10(16)6-12-14/h2-6H,1H3,(H,13,16,17)	91	CC(=O)c1ccc(cc1)N2N=CC(=O)NC2=O	InChIKey=PTJBGRVKWAWYMN-UHFFFAOYSA-N
InChI=1S/C22H12ClN3O4/c23-14-4-8-19-17(10-14)21(28)16-9-13(3-7-18(16)30-19)12-1-5-15(6-2-12)26-22(29)25-20(27)11-24-26/h1-11H,(H,25,27,29)	92	Clc1ccc2Oc3ccc(cc3C(=O)c2c1)c4ccc(cc4)N5N=CC(=O)NC5=O	InChIKey=AXNYGOALTATYES-UHFFFAOYSA-N
InChI=1S/C22H21IN6O3S/c1-31-18-10-14-17(11-19(18)32-2)26-22(27-20(14)24)29-7-5-28(6-8-29)21(30)13-3-4-16(25-12-33)15(23)9-13/h3-4,9-11H,5-8H2,1-2H3,(H2,24,26,27)	93	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccc(N=C=S)c(I)c4	InChIKey=CZNDELGMGXKRTL-UHFFFAOYSA-N
InChI=1S/C24H28N8O2S2/c1-33-19-13-17-18(14-20(19)34-2)28-22(29-21(17)25)30-7-9-31(10-8-30)23(35)26-15-3-5-16(6-4-15)27-24(36)32-11-12-32/h3-6,13-14H,7-12H2,1-2H3,(H,26,35)(H,27,36)(H2,25,28,29)	94	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\c4ccc(NC(=S)N5CC5)cc4)\S	InChIKey=ZDTUYWZUJAPFKV-UHFFFAOYSA-N
InChI=1S/C16H26N4/c1-18-8-2-3-16(18)14-20-11-9-19(10-12-20)13-15-4-6-17-7-5-15/h4-7,16H,2-3,8-14H2,1H3/t16-/m0/s1	95	CN1CCC[C@H]1CN2CCN(Cc3ccncc3)CC2	InChIKey=ISORIJBJWAUNMX-INIZCTEOSA-N
InChI=1S/C16H26N4/c1-18-7-3-5-16(18)14-20-10-8-19(9-11-20)13-15-4-2-6-17-12-15/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/t16-/m0/s1	96	CN1CCC[C@H]1CN2CCN(Cc3cccnc3)CC2	InChIKey=ULRNQAZROUDCII-INIZCTEOSA-N
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	97	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4	InChIKey=IENZQIKPVFGBNW-UHFFFAOYSA-N
InChI=1S/C21H25N5O5/c1-29-16-12-14-15(13-17(16)30-2)23-21(24-20(14)22)26-10-8-25(9-11-26)18(27)6-4-5-7-19(28)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)/b6-4+,7-5+	98	COC(=O)\C=C\C=C\C(=O)N1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=LSWGVLAKCJCDNW-YDFGWWAZSA-N
InChI=1S/C23H25N5O4/c1-30-17-12-15-16(13-18(17)31-2)25-23(26-21(15)24)28-10-8-27(9-11-28)22(29)20-19(32-20)14-6-4-3-5-7-14/h3-7,12-13,19-20H,8-11H2,1-2H3,(H2,24,25,26)	99	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4OC4c5ccccc5	InChIKey=HCCHLOLDFKYQCN-UHFFFAOYSA-N
InChI=1S/C24H25N5O4/c1-32-20-14-17-18(15-21(20)33-2)26-24(27-23(17)25)29-12-10-28(11-13-29)22(31)9-8-19(30)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,27)/b9-8+	100	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\C(=O)c4ccccc4	InChIKey=DZZRILBQFKPYLY-CMDGGOBGSA-N
InChI=1S/C25H25N5O3/c1-32-21-14-19-20(15-22(21)33-2)27-25(28-23(19)26)30-11-9-29(10-12-30)24(31)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13-15H,9-12H2,1-2H3,(H2,26,27,28)	101	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccc5ccccc5c4	InChIKey=RNQYGMOUFHXINE-UHFFFAOYSA-N
InChI=1S/C21H23N9O2S/c1-31-17-11-15-16(12-18(17)32-2)25-20(26-19(15)22)29-7-9-30(10-8-29)21(33)24-13-3-5-14(6-4-13)27-28-23/h3-6,11-12H,7-10H2,1-2H3,(H,24,33)(H2,22,25,26)	102	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\c4ccc(cc4)N=[N+]=[N-])\S	InChIKey=HWUDYZUPBWBIKE-UHFFFAOYSA-N
InChI=1S/C22H24ClN5O3/c1-30-18-11-16-17(12-19(18)31-2)25-22(26-20(16)24)28-8-6-27(7-9-28)21(29)15-5-3-4-14(10-15)13-23/h3-5,10-12H,6-9,13H2,1-2H3,(H2,24,25,26)	103	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4cccc(CCl)c4	InChIKey=KRFFYWFYIARGFH-UHFFFAOYSA-N
InChI=1S/C24H24N6O3S/c1-32-20-13-18-19(14-21(20)33-2)27-24(28-23(18)25)30-11-9-29(10-12-30)22(31)8-5-16-3-6-17(7-4-16)26-15-34/h3-8,13-14H,9-12H2,1-2H3,(H2,25,27,28)/b8-5+	104	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(cc4)N=C=S	InChIKey=ZHMJIRWYALNKFS-VMPITWQZSA-N
InChI=1S/C25H27BrN6O4/c1-35-20-13-18-19(14-21(20)36-2)29-25(30-24(18)27)32-11-9-31(10-12-32)23(34)8-5-16-3-6-17(7-4-16)28-22(33)15-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,33)(H2,27,29,30)/b8-5+	105	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(NC(=O)CBr)cc4	InChIKey=WIQUTGGWWJYKFM-VMPITWQZSA-N
InChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-10(15)11(16)12(8)18-13(17)9(7)5-6/h1-5,14-16H	106	Oc1ccc2c(c1)C(=O)Oc3c(O)c(O)ccc23	InChIKey=YDELCCFAMXESST-UHFFFAOYSA-N
InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H	107	O=C1Oc2ccccc2c3ccccc13	InChIKey=TVKNXKLYVUVOCV-UHFFFAOYSA-N
InChI=1S/C13H8O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h1-6,14-15H	108	Oc1ccc2c(OC(=O)c3ccccc23)c1O	InChIKey=XVLDXKNPWFEZHU-UHFFFAOYSA-N
InChI=1S/C13H8O4/c14-10-5-8-7-3-1-2-4-12(7)17-13(16)9(8)6-11(10)15/h1-6,14-15H	109	Oc1cc2C(=O)Oc3ccccc3c2cc1O	InChIKey=RNGUQXOVPRCDIT-UHFFFAOYSA-N
InChI=1S/C13H8O6/c14-8-1-5-6-2-9(15)11(17)4-12(6)19-13(18)7(5)3-10(8)16/h1-4,14-17H	110	Oc1cc2OC(=O)c3cc(O)c(O)cc3c2cc1O	InChIKey=OSFIGXJLZQHGJN-UHFFFAOYSA-N
InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1	111	[Na+].Cc1cc(CC(=O)[O-])n(C)c1C(=O)c2ccc(Cl)cc2	InChIKey=SEEXPXUCHVGZGU-UHFFFAOYSA-M
InChI=1S/C22H25N5O4/c1-29-18-12-16-17(13-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)14-31-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,24,25)	112	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)COc4ccccc4	InChIKey=NRCCKHYOMABEPC-UHFFFAOYSA-N
InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	114	C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]5CC[C@@]6(C)O[C@@]7(C)C[C@H]8O[C@H]9C[C@H]%10O[C@@]%11(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]%11C[C@@H]%10O[C@@H]9\C=C/C[C@]8(C)O[C@@H]7C[C@@H]6O[C@H]15	InChIKey=LYTCVQQGCSNFJU-LKGYBJPKSA-N
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	115	CN1CCC[C@H]1c2cccnc2	InChIKey=SNICXCGAKADSCV-JTQLQIEISA-N
InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1	116	C1CN[C@@H](C1)c2cccnc2	InChIKey=MYKUKUCHPMASKF-VIFPVBQESA-N
InChI=1S/C31H43N3O10/c1-10-31(2,3)32-30(37)44-18-21-17-33(28(35)19-13-22(38-4)26(42-8)23(14-19)39-5)11-12-34(21)29(36)20-15-24(40-6)27(43-9)25(16-20)41-7/h13-16,21H,10-12,17-18H2,1-9H3,(H,32,37)	117	CCC(C)(C)NC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=LKBCROIQZFFNCS-UHFFFAOYSA-N
InChI=1S/C32H45N3O10/c1-19(2)12-20(3)33-32(38)45-18-23-17-34(30(36)21-13-24(39-4)28(43-8)25(14-21)40-5)10-11-35(23)31(37)22-15-26(41-6)29(44-9)27(16-22)42-7/h13-16,19-20,23H,10-12,17-18H2,1-9H3,(H,33,38)	118	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NC(C)CC(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=VJAMGEUEUBUVCW-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-9-10-19(2)32-31(37)44-18-22-17-33(29(35)20-13-23(38-3)27(42-7)24(14-20)39-4)11-12-34(22)30(36)21-15-25(40-5)28(43-8)26(16-21)41-6/h13-16,19,22H,9-12,17-18H2,1-8H3,(H,32,37)	119	CCCC(C)NC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=SGVUFQYRNRMBDS-UHFFFAOYSA-N
InChI=1S/C16H24N4O/c21-16(15-5-1-2-7-18-15)20-10-8-19(9-11-20)13-14-4-3-6-17-12-14/h3-4,6,12,15,18H,1-2,5,7-11,13H2	120	O=C(C1CCCCN1)N2CCN(Cc3cccnc3)CC2	InChIKey=SHVTUGFWWFPRNZ-UHFFFAOYSA-N
InChI=1S/C15H24N4/c1-3-14(11-16-5-1)12-18-7-9-19(10-8-18)13-15-4-2-6-17-15/h1,3,5,11,15,17H,2,4,6-10,12-13H2/t15-/m0/s1	121	C([C@@H]1CCCN1)N2CCN(Cc3cccnc3)CC2	InChIKey=QBFPSJCRZCHYJC-HNNXBMFYSA-N
InChI=1S/C15H24N4/c1-2-15(17-5-1)13-19-10-8-18(9-11-19)12-14-3-6-16-7-4-14/h3-4,6-7,15,17H,1-2,5,8-13H2/t15-/m0/s1	122	C([C@@H]1CCCN1)N2CCN(Cc3ccncc3)CC2	InChIKey=VPZLPAKJZIZIHZ-HNNXBMFYSA-N
InChI=1S/C13H7FO4/c14-6-1-2-8-9(5-6)7-3-4-10(15)11(16)12(7)18-13(8)17/h1-5,15-16H	123	Oc1ccc2c(OC(=O)c3ccc(F)cc23)c1O	InChIKey=DTDCPMLDXTXQEE-UHFFFAOYSA-N
InChI=1S/C13H6Cl2O4/c14-8-2-1-5-6-3-9(16)10(17)4-7(6)13(18)19-12(5)11(8)15/h1-4,16-17H	124	Oc1cc2C(=O)Oc3c(Cl)c(Cl)ccc3c2cc1O	InChIKey=FCRQLOVPMZBSNS-UHFFFAOYSA-N
InChI=1S/C14H9FO4/c1-6-4-10(16)12(17)13-11(6)9-5-7(15)2-3-8(9)14(18)19-13/h2-5,16-17H,1H3	125	Cc1cc(O)c(O)c2OC(=O)c3ccc(F)cc3c12	InChIKey=YHPDGXMHLMRDHU-UHFFFAOYSA-N
InChI=1S/C13H11NO5/c15-9-1-5-6-2-10(16)12(18)4-8(6)13(14-19)7(5)3-11(9)17/h1-4,13-19H	126	ONC1c2cc(O)c(O)cc2c3cc(O)c(O)cc13	InChIKey=NLJAPGHINDHDIF-UHFFFAOYSA-N
InChI=1S/C13H8O5/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4,14-17H	127	Oc1cc2C(=O)c3cc(O)c(O)cc3c2cc1O	InChIKey=VODSLSVJNDQUQW-UHFFFAOYSA-N
InChI=1S/C13H6F2O4/c14-8-2-1-5-6-3-9(16)10(17)4-7(6)13(18)19-12(5)11(8)15/h1-4,16-17H	128	Oc1cc2C(=O)Oc3c(F)c(F)ccc3c2cc1O	InChIKey=RLKJYLCMFBGRQV-UHFFFAOYSA-N
InChI=1S/C13H7FO4/c14-6-1-2-7-8(3-6)9-4-10(15)11(16)5-12(9)18-13(7)17/h1-5,15-16H	129	Oc1cc2OC(=O)c3ccc(F)cc3c2cc1O	InChIKey=DYFXUXQNEFOUSN-UHFFFAOYSA-N
InChI=1S/C23H34O3/c1-22-9-8-19-17(18(22)6-7-21(22)26-16-3-4-16)5-2-15-10-20(24)14-11-23(15,19)13-25-12-14/h2,14,16-21,24H,3-13H2,1H3/t14-,17?,18?,19?,20-,21+,22+,23-/m1/s1	130	C[C@]12CCC3C(CC=C4C[C@@H](O)[C@H]5COC[C@@]34C5)C1CC[C@@H]2OC6CC6	InChIKey=NXHVROPEBMRJEZ-XQTJTSDDSA-N
InChI=1S/C22H30O3/c1-21-9-7-13(23)11-18(21)19(24)12-15-16-5-6-20(25-14-3-4-14)22(16,2)10-8-17(15)21/h11,14-17,20H,3-10,12H2,1-2H3/t15?,16?,17?,20-,21+,22-/m0/s1	131	C[C@]12CCC3C(CC(=O)C4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC5CC5	InChIKey=AXYMUXKMWNDOHO-GQOMOGQJSA-N
InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	132	Oc1ccc2c(OC(=O)c3cc(O)c(O)cc23)c1O	InChIKey=NEZDQSKPNPRYAW-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-31(2,3)18-32-30(37)44-17-21-16-33(28(35)19-12-22(38-4)26(42-8)23(13-19)39-5)10-11-34(21)29(36)20-14-24(40-6)27(43-9)25(15-20)41-7/h12-15,21H,10-11,16-18H2,1-9H3,(H,32,37)	133	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NCC(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=ZJUIACXULIBYQJ-UHFFFAOYSA-N
InChI=1S/C30H41N3O10/c1-30(2,3)31-29(36)43-17-20-16-32(27(34)18-12-21(37-4)25(41-8)22(13-18)38-5)10-11-33(20)28(35)19-14-23(39-6)26(42-9)24(15-19)40-7/h12-15,20H,10-11,16-17H2,1-9H3,(H,31,36)	134	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NC(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=SOMBNBNRGKHTPF-UHFFFAOYSA-N
InChI=1S/C33H46N2O10/c1-8-9-10-11-12-13-29(36)45-21-24-20-34(32(37)22-16-25(39-2)30(43-6)26(17-22)40-3)14-15-35(24)33(38)23-18-27(41-4)31(44-7)28(19-23)42-5/h16-19,24H,8-15,20-21H2,1-7H3	135	CCCCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=HRAVCYOABUOCGK-UHFFFAOYSA-N
InChI=1S/C35H50N2O10/c1-8-9-10-11-12-13-14-15-31(38)47-23-26-22-36(34(39)24-18-27(41-2)32(45-6)28(19-24)42-3)16-17-37(26)35(40)25-20-29(43-4)33(46-7)30(21-25)44-5/h18-21,26H,8-17,22-23H2,1-7H3	136	CCCCCCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=OYHTTZDJDLVHDP-UHFFFAOYSA-N
InChI=1S/C27H34N2O10/c1-16(30)39-15-19-14-28(26(31)17-10-20(33-2)24(37-6)21(11-17)34-3)8-9-29(19)27(32)18-12-22(35-4)25(38-7)23(13-18)36-5/h10-13,19H,8-9,14-15H2,1-7H3	138	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=KRGMLTJKLQEHOZ-UHFFFAOYSA-N
InChI=1S/C34H49N3O10/c1-8-9-10-11-12-13-14-35-34(40)47-22-25-21-36(32(38)23-17-26(41-2)30(45-6)27(18-23)42-3)15-16-37(25)33(39)24-19-28(43-4)31(46-7)29(20-24)44-5/h17-20,25H,8-16,21-22H2,1-7H3,(H,35,40)	139	CCCCCCCCNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=BSDZFTJWNPWDIZ-UHFFFAOYSA-N
InChI=1S/C43H66N2O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(46)55-31-34-30-44(42(47)32-26-35(49-2)40(53-6)36(27-32)50-3)24-25-45(34)43(48)33-28-37(51-4)41(54-7)38(29-33)52-5/h26-29,34H,8-25,30-31H2,1-7H3	140	CCCCCCCCCCCCCCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=RIPBNIBRYTXDLA-UHFFFAOYSA-N
InChI=1S/C15H14ClNO4/c1-17-12(7-13(19)20)6-10(8-18)14(17)15(21)9-2-4-11(16)5-3-9/h2-6,18H,7-8H2,1H3,(H,19,20)	141	Cn1c(CC(=O)O)cc(CO)c1C(=O)c2ccc(Cl)cc2	InChIKey=FBQJXWWENUWXNP-UHFFFAOYSA-N
InChI=1S/C33H37ClN2O11/c1-40-25-13-20(14-26(41-2)30(25)44-5)32(38)35-11-12-36(33(39)21-15-27(42-3)31(45-6)28(16-21)43-4)23(17-35)18-47-29(37)19-46-24-9-7-22(34)8-10-24/h7-10,13-16,23H,11-12,17-19H2,1-6H3	142	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)COc3ccc(Cl)cc3)C2)C(=O)c4cc(OC)c(OC)c(OC)c4	InChIKey=XESVLIGJOTXWMD-UHFFFAOYSA-N
InChI=1S/C33H37FN2O11/c1-40-25-13-20(14-26(41-2)30(25)44-5)32(38)35-11-12-36(33(39)21-15-27(42-3)31(45-6)28(16-21)43-4)23(17-35)18-47-29(37)19-46-24-9-7-22(34)8-10-24/h7-10,13-16,23H,11-12,17-19H2,1-6H3	143	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)COc3ccc(F)cc3)C2)C(=O)c4cc(OC)c(OC)c(OC)c4	InChIKey=XHWFWJNBJZSGFU-UHFFFAOYSA-N
InChI=1S/C22H32O2/c1-21-11-9-15(23)13-14(21)3-6-17-18-7-8-20(24-16-4-5-16)22(18,2)12-10-19(17)21/h13,16-20H,3-12H2,1-2H3/t17?,18?,19?,20-,21-,22-/m0/s1	144	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC5CC5	InChIKey=VFUUEBWDCNNJEJ-OPBBSMSLSA-N
InChI=1S/C24H38O2/c1-22(2)19-9-7-16-17-8-10-21(26-15-5-6-15)24(17,4)13-11-18(16)23(19,3)14-12-20(22)25/h9,15-18,20-21,25H,5-8,10-14H2,1-4H3/t16?,17?,18?,20-,21-,23+,24-/m0/s1	145	C[C@]12CCC3C(CC=C4C(C)(C)[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC5CC5	InChIKey=MRAKBRVMYBYECZ-PWYMKKGTSA-N
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	146	CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O	InChIKey=GSDSWSVVBLHKDQ-UHFFFAOYSA-N
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	147	CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12	InChIKey=MHWLWQUZZRMNGJ-UHFFFAOYSA-N
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	148	Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34	InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N
InChI=1S/C14H10O6/c1-5-2-10(17)12(18)13-11(5)6-3-8(15)9(16)4-7(6)14(19)20-13/h2-4,15-18H,1H3	149	Cc1cc(O)c(O)c2OC(=O)c3cc(O)c(O)cc3c12	InChIKey=UBHGPVRGRFZAEU-UHFFFAOYSA-N
InChI=1S/C32H42N2O10/c1-38-24-14-21(15-25(39-2)28(24)42-5)30(35)33-12-13-34(23(18-33)19-44-32(37)20-10-8-7-9-11-20)31(36)22-16-26(40-3)29(43-6)27(17-22)41-4/h14-17,20,23H,7-13,18-19H2,1-6H3	150	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)C3CCCCC3)C2)C(=O)c4cc(OC)c(OC)c(OC)c4	InChIKey=BLDZWCUVWBMDLL-UHFFFAOYSA-N
InChI=1S/C31H42N2O10/c1-9-19(10-2)31(36)43-18-22-17-32(29(34)20-13-23(37-3)27(41-7)24(14-20)38-4)11-12-33(22)30(35)21-15-25(39-5)28(42-8)26(16-21)40-6/h13-16,19,22H,9-12,17-18H2,1-8H3	151	CCC(CC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=ZBRLGJYJSHQDOY-UHFFFAOYSA-N
InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4-5,8-9,11H,6H2,1-3H3,(H,17,18)/b5-4+/t8?,9-,11-/m0/s1	152	CC(=O)\C=C\CC1[C@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O	InChIKey=MVFOBYCNFIYDLC-OKGGOOFDSA-N
InChI=1S/C19H21F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h4,7,10-11,22H,2-3,5-6,8-9H2,1H3,(H,26,27)	153	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C=C)c3c2F)C(=O)O	InChIKey=QDHPRAPAONIUPQ-UHFFFAOYSA-N
InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	154	CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(F)cc5	InChIKey=WDPFJWLDPVQCAJ-UHFFFAOYSA-N
InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3	155	COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc3ccc(CCOC)cc3)CC(O)COc4ccc(CCOC)cc4)cc1	InChIKey=XOEBUOXJYQKVKG-UHFFFAOYSA-N
InChI=1S/C37H60N8O8/c1-6-23(5)30(45-33(48)27(19-22(3)4)43-34(49)29-21-39-17-18-40-29)35(50)44-28(20-24-13-9-8-10-14-24)32(47)41-25(7-2)31(46)36(51)42-26(37(52)53)15-11-12-16-38/h17-18,21-28,30H,6-16,19-20,38H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t23-,25-,26-,27-,28-,30-/m0/s1	156	CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](CCCCN)C(=O)O	InChIKey=PFHINVNYVSTJQP-VAZFOVGVSA-N
InChI=1S/C36H53N3O10/c1-9-11-13-15-37(16-14-12-10-2)36(42)49-24-27-23-38(34(40)25-19-28(43-3)32(47-7)29(20-25)44-4)17-18-39(27)35(41)26-21-30(45-5)33(48-8)31(22-26)46-6/h19-22,27H,9-18,23-24H2,1-8H3	157	CCCCCN(CCCCC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=AKUMVPRSWUGFHR-UHFFFAOYSA-N
InChI=1S/C34H49N3O10/c1-9-11-13-35(14-12-10-2)34(40)47-22-25-21-36(32(38)23-17-26(41-3)30(45-7)27(18-23)42-4)15-16-37(25)33(39)24-19-28(43-5)31(46-8)29(20-24)44-6/h17-20,25H,9-16,21-22H2,1-8H3	158	CCCCN(CCCC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=KOMAGQAIKGCREJ-UHFFFAOYSA-N
InChI=1S/C29H38N2O10/c1-8-9-25(32)41-17-20-16-30(28(33)18-12-21(35-2)26(39-6)22(13-18)36-3)10-11-31(20)29(34)19-14-23(37-4)27(40-7)24(15-19)38-5/h12-15,20H,8-11,16-17H2,1-7H3	159	CCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=IWRWPHXCANDKPP-UHFFFAOYSA-N
InChI=1S/C32H45N3O10/c1-9-11-33(12-10-2)32(38)45-20-23-19-34(30(36)21-15-24(39-3)28(43-7)25(16-21)40-4)13-14-35(23)31(37)22-17-26(41-5)29(44-8)27(18-22)42-6/h15-18,23H,9-14,19-20H2,1-8H3	160	CCCN(CCC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=HZWQZAAOTLGOMR-UHFFFAOYSA-N
InChI=1S/C30H41N3O10/c1-9-31(10-2)30(36)43-18-21-17-32(28(34)19-13-22(37-3)26(41-7)23(14-19)38-4)11-12-33(21)29(35)20-15-24(39-5)27(42-8)25(16-20)40-6/h13-16,21H,9-12,17-18H2,1-8H3	161	CCN(CC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=QKSXEJNMSRTCRE-UHFFFAOYSA-N
InChI=1S/C35H43N3O13/c1-42-24-12-20(13-25(43-2)30(24)48-7)33(39)37-10-11-38(34(40)21-14-26(44-3)31(49-8)27(15-21)45-4)23(18-37)19-51-35(41)36-22-16-28(46-5)32(50-9)29(17-22)47-6/h12-17,23H,10-11,18-19H2,1-9H3,(H,36,41)	162	COc1cc(NC(=O)OCC2CN(CCN2C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC	InChIKey=WKNNLSGOPCKNBX-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-9-21(10-2)32-31(37)44-18-22-17-33(29(35)19-13-23(38-3)27(42-7)24(14-19)39-4)11-12-34(22)30(36)20-15-25(40-5)28(43-8)26(16-20)41-6/h13-16,21-22H,9-12,17-18H2,1-8H3,(H,32,37)	163	CCC(CC)NC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=SBHBWISDHLCEJR-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-9-19(2)16-32-31(37)44-18-22-17-33(29(35)20-12-23(38-3)27(42-7)24(13-20)39-4)10-11-34(22)30(36)21-14-25(40-5)28(43-8)26(15-21)41-6/h12-15,19,22H,9-11,16-18H2,1-8H3,(H,32,37)	164	CCC(C)CNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=OQXNKIVBKDLXLO-UHFFFAOYSA-N
InChI=1S/C34H49N3O10/c1-9-11-12-22(10-2)19-35-34(40)47-21-25-20-36(32(38)23-15-26(41-3)30(45-7)27(16-23)42-4)13-14-37(25)33(39)24-17-28(43-5)31(46-8)29(18-24)44-6/h15-18,22,25H,9-14,19-21H2,1-8H3,(H,35,40)	165	CCCCC(CC)CNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=RRRURLRTEPJQRT-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-19(2)9-10-32-31(37)44-18-22-17-33(29(35)20-13-23(38-3)27(42-7)24(14-20)39-4)11-12-34(22)30(36)21-15-25(40-5)28(43-8)26(16-21)41-6/h13-16,19,22H,9-12,17-18H2,1-8H3,(H,32,37)	166	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NCCC(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=DFMYYPWUKJDYRZ-UHFFFAOYSA-N
InChI=1S/C31H43N3O10/c1-18(2)19(3)32-31(37)44-17-22-16-33(29(35)20-12-23(38-4)27(42-8)24(13-20)39-5)10-11-34(22)30(36)21-14-25(40-6)28(43-9)26(15-21)41-7/h12-15,18-19,22H,10-11,16-17H2,1-9H3,(H,32,37)	167	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NC(C)C(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=YMQNGBBYGZIAGG-UHFFFAOYSA-N
InChI=1S/C32H35ClN2O10/c1-39-24-13-19(14-25(40-2)28(24)43-5)30(36)34-11-12-35(21(17-34)18-45-32(38)22-9-7-8-10-23(22)33)31(37)20-15-26(41-3)29(44-6)27(16-20)42-4/h7-10,13-16,21H,11-12,17-18H2,1-6H3	168	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)c3ccccc3Cl)C2)C(=O)c4cc(OC)c(OC)c(OC)c4	InChIKey=YYOKEEFYTIKJOO-UHFFFAOYSA-N
InChI=1S/C31H42N2O10/c1-8-9-10-11-27(34)43-19-22-18-32(30(35)20-14-23(37-2)28(41-6)24(15-20)38-3)12-13-33(22)31(36)21-16-25(39-4)29(42-7)26(17-21)40-5/h14-17,22H,8-13,18-19H2,1-7H3	169	CCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=URTKPOVVQZNBPW-UHFFFAOYSA-N
InChI=1S/C36H52N4O3/c1-28-38-20-22-40(28)21-6-5-10-30-12-14-31(15-13-30)26-36(42)39-34(27-41)25-32-16-17-35(33(24-32)11-7-19-37)43-23-18-29-8-3-2-4-9-29/h12-17,20,22,24,29,34,41H,2-11,18-19,21,23,25-27,37H2,1H3,(H,39,42)/t34-/m0/s1	170	Cc1nccn1CCCCc2ccc(CC(=O)N[C@H](CO)Cc3ccc(OCCC4CCCCC4)c(CCCN)c3)cc2	InChIKey=YNCAROCYIGDSNF-UMSFTDKQSA-N
InChI=1S/C30H40N2O10/c1-30(2,3)29(35)42-17-20-16-31(27(33)18-12-21(36-4)25(40-8)22(13-18)37-5)10-11-32(20)28(34)19-14-23(38-6)26(41-9)24(15-19)39-7/h12-15,20H,10-11,16-17H2,1-9H3	171	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)C(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=BXIGZIXGNMVVFJ-UHFFFAOYSA-N
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	173	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3	InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N
InChI=1S/C16H24N4O/c21-16(15-3-1-2-6-18-15)20-11-9-19(10-12-20)13-14-4-7-17-8-5-14/h4-5,7-8,15,18H,1-3,6,9-13H2	174	O=C(C1CCCCN1)N2CCN(Cc3ccncc3)CC2	InChIKey=GUHWAALAWWMKDC-UHFFFAOYSA-N
InChI=1S/C16H24N4O/c21-16(15-6-2-4-8-18-15)20-11-9-19(10-12-20)13-14-5-1-3-7-17-14/h1,3,5,7,15,18H,2,4,6,8-13H2	175	O=C(C1CCCCN1)N2CCN(Cc3ccccn3)CC2	InChIKey=OGWMZJGJKKFPMX-UHFFFAOYSA-N
InChI=1S/C15H22N4O/c20-15(14-4-2-6-17-14)19-9-7-18(8-10-19)12-13-3-1-5-16-11-13/h1,3,5,11,14,17H,2,4,6-10,12H2/t14-/m0/s1	176	O=C([C@@H]1CCCN1)N2CCN(Cc3cccnc3)CC2	InChIKey=GKYJISXEGKBJGV-AWEZNQCLSA-N
InChI=1S/C15H22N4O/c20-15(14-5-3-7-17-14)19-10-8-18(9-11-19)12-13-4-1-2-6-16-13/h1-2,4,6,14,17H,3,5,7-12H2/t14-/m0/s1	177	O=C([C@@H]1CCCN1)N2CCN(Cc3ccccn3)CC2	InChIKey=FBAPMAZOFDLVQE-AWEZNQCLSA-N
InChI=1S/C31H42N2O10/c1-31(2,3)16-26(34)43-18-21-17-32(29(35)19-12-22(37-4)27(41-8)23(13-19)38-5)10-11-33(21)30(36)20-14-24(39-6)28(42-9)25(15-20)40-7/h12-15,21H,10-11,16-18H2,1-9H3	178	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)CC(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=ZVGSBMSQLRSOHN-UHFFFAOYSA-N
InChI=1S/C22H34O2/c1-21-11-9-15(23)13-14(21)3-6-17-18-7-8-20(24-16-4-5-16)22(18,2)12-10-19(17)21/h3,15-20,23H,4-13H2,1-2H3/t15-,17?,18?,19?,20-,21-,22-/m0/s1	179	C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC5CC5	InChIKey=POSDCFGKQJATFR-WCYMMUEPSA-N
InChI=1S/C23H32O3/c1-22-9-8-19-17(18(22)6-7-21(22)26-16-3-4-16)5-2-15-10-20(24)14-11-23(15,19)13-25-12-14/h10,14,16-19,21H,2-9,11-13H2,1H3/t14-,17?,18?,19?,21+,22+,23-/m1/s1	180	C[C@]12CCC3C(CCC4=CC(=O)[C@H]5COC[C@@]34C5)C1CC[C@@H]2OC6CC6	InChIKey=VAEMUJTUEPUFST-YHRPNKESSA-N
InChI=1S/C31H46N2O8/c1-9-23(10-2)31(34)41-20-24-19-32(17-21-13-25(35-3)29(39-7)26(14-21)36-4)11-12-33(24)18-22-15-27(37-5)30(40-8)28(16-22)38-6/h13-16,23-24H,9-12,17-20H2,1-8H3	181	CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc3cc(OC)c(OC)c(OC)c3	InChIKey=YBFGTQXXZOBAGN-UHFFFAOYSA-N
InChI=1S/C22H30N2O6/c1-25-17-11-15(12-18(26-2)21(17)29-5)23-7-9-24(10-8-23)16-13-19(27-3)22(30-6)20(14-16)28-4/h11-14H,7-10H2,1-6H3	182	COc1cc(cc(OC)c1OC)N2CCN(CC2)c3cc(OC)c(OC)c(OC)c3	InChIKey=VCGBVLOXSFYYES-UHFFFAOYSA-N
InChI=1S/C24H30N2O8/c1-29-17-11-15(12-18(30-2)21(17)33-5)23(27)25-7-9-26(10-8-25)24(28)16-13-19(31-3)22(34-6)20(14-16)32-4/h11-14H,7-10H2,1-6H3	183	COc1cc(cc(OC)c1OC)C(=O)N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=RSMOCRIXTHPCBX-UHFFFAOYSA-N
InChI=1S/C37H54N4O3/c1-29-39-21-23-41(29)22-8-6-11-31-13-15-32(16-14-31)27-37(43)40-35(28-42)26-33-17-18-36(34(25-33)12-5-7-20-38)44-24-19-30-9-3-2-4-10-30/h13-18,21,23,25,30,35,42H,2-12,19-20,22,24,26-28,38H2,1H3,(H,40,43)/t35-/m0/s1	184	Cc1nccn1CCCCc2ccc(CC(=O)N[C@H](CO)Cc3ccc(OCCC4CCCCC4)c(CCCCN)c3)cc2	InChIKey=POMULZQWVZXZEN-DHUJRADRSA-N
InChI=1S/C36H52N4O3/c1-28-38-20-22-40(28)21-6-5-10-30-12-14-31(15-13-30)26-36(42)39-34(27-41)25-32-16-17-35(33(24-32)11-7-19-37)43-23-18-29-8-3-2-4-9-29/h12-17,20,22,24,29,34,41H,2-11,18-19,21,23,25-27,37H2,1H3,(H,39,42)/t34-/m1/s1	185	Cc1nccn1CCCCc2ccc(CC(=O)N[C@@H](CO)Cc3ccc(OCCC4CCCCC4)c(CCCN)c3)cc2	InChIKey=YNCAROCYIGDSNF-UUWRZZSWSA-N
InChI=1S/C30H41N3O10/c1-8-9-10-31-30(36)43-18-21-17-32(28(34)19-13-22(37-2)26(41-6)23(14-19)38-3)11-12-33(21)29(35)20-15-24(39-4)27(42-7)25(16-20)40-5/h13-16,21H,8-12,17-18H2,1-7H3,(H,31,36)	186	CCCCNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3	InChIKey=KFLCKESTWZJUOI-UHFFFAOYSA-N
InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1	187	N[C@@H](CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O	InChIKey=WMZTYIRRBCGARG-VIFPVBQESA-N
InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1	188	COC(=O)[C@@H](N)CO	InChIKey=ANSUDRATXSJBLY-VKHMYHEASA-N
InChI=1S/C10H12N4O5.ClH/c11-8(9(15)16)5-12-10(17)13-6-1-3-7(4-2-6)14(18)19;/h1-4,8H,5,11H2,(H,15,16)(H2,12,13,17);1H/t8-;/m0./s1	189	Cl.N[C@@H](CNC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O	InChIKey=KPKQOLNYYNTYFV-QRPNPIFTSA-N
InChI=1S/C11H13N3O6.ClH/c1-19-10(15)9(12)6-20-11(16)13-7-2-4-8(5-3-7)14(17)18;/h2-5,9H,6,12H2,1H3,(H,13,16);1H/t9-;/m0./s1	190	Cl.COC(=O)[C@@H](N)COC(=O)Nc1ccc(cc1)[N+](=O)[O-]	InChIKey=XXDDRLCOWXFJBD-FVGYRXGTSA-N
InChI=1S/C12H15N3O5.ClH/c1-20-12(17)10(13)6-7-11(16)14-8-2-4-9(5-3-8)15(18)19;/h2-5,10H,6-7,13H2,1H3,(H,14,16);1H/t10-;/m0./s1	191	Cl.COC(=O)[C@@H](N)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]	InChIKey=CHFLGKQWUSPWSQ-PPHPATTJSA-N
InChI=1S/C14H20N2O6S/c1-14(2)10(13(19)20)16-11(18)8(12(16)23(14)21)6-5-7-9(17)15(3)22-4/h5,7-8,10,12H,6H2,1-4H3,(H,19,20)/b7-5+/t8?,10-,12+,23?/m0/s1	192	CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(=O)O)C(C)(C)[S+]2[O-])C1=O	InChIKey=NODZXNWCPAUXPG-IDLZWDITSA-N
InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	193	CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(=O)O	InChIKey=APLLQHCDOOGSFW-OQAFJANISA-N
InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	194	CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O	InChIKey=FKENQMMABCRJMK-RITPCOANSA-N
InChI=1S/C18H21F2N3O4/c1-3-21-7-10-4-5-22(8-10)16-13(19)6-11-15(14(16)20)23(27-2)9-12(17(11)24)18(25)26/h6,9-10,21H,3-5,7-8H2,1-2H3,(H,25,26)	195	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(OC)c3c2F)C(=O)O	InChIKey=XHJMRSGFFAWHKF-UHFFFAOYSA-N
InChI=1S/C21H25F2N3O3/c1-3-24-8-12-4-5-25(9-12)19-15(22)7-13-18(17(19)23)26(16-6-11(16)2)10-14(20(13)27)21(28)29/h7,10-12,16,24H,3-6,8-9H2,1-2H3,(H,28,29)	196	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4C)c3c2F)C(=O)O	InChIKey=XPYFMRJMSWBCNG-UHFFFAOYSA-N
InChI=1S/C39H66N10O11/c1-20(2)15-27(45-33(54)22(5)41)37(58)47-29(17-24-10-12-25(52)13-11-24)36(57)43-23(6)34(55)49-31(19-51)39(60)44-26(9-7-8-14-40)35(56)46-28(16-21(3)4)38(59)48-30(18-50)32(42)53/h10-13,20-23,26-31,50-52H,7-9,14-19,40-41H2,1-6H3,(H2,42,53)(H,43,57)(H,44,60)(H,45,54)(H,46,56)(H,47,58)(H,48,59)(H,49,55)/t22-,23-,26-,27-,28-,29-,30-,31-/m0/s1	197	CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N	InChIKey=VWRQXSZGVCPPJA-LXPLJTSZSA-N
InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	198	Cc1nccn1CCCCc2ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3)cc2	InChIKey=WHLPIOSHBKQGHA-KYJUHHDHSA-N
InChI=1S/C11H14N4O5.ClH/c1-20-10(16)9(12)6-13-11(17)14-7-2-4-8(5-3-7)15(18)19;/h2-5,9H,6,12H2,1H3,(H2,13,14,17);1H/t9-;/m0./s1	199	Cl.COC(=O)[C@@H](N)CNC(=O)Nc1ccc(cc1)[N+](=O)[O-]	InChIKey=AEBBOZYZDNRCHF-FVGYRXGTSA-N
InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4-5,8-9,11H,6H2,1-3H3,(H,17,18)/b5-4+/t8?,9-,11+/m0/s1	200	CC(=O)\C=C\CC1[C@@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O	InChIKey=MVFOBYCNFIYDLC-RWZNOURBSA-N
InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11+/m0/s1	201	COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O	InChIKey=WHIIGHHQWOXKEP-ASQRRCTNSA-N
InChI=1S/C20H25F2N3O3/c1-4-23-8-12-5-6-24(9-12)18-15(21)7-13-17(16(18)22)25(11(2)3)10-14(19(13)26)20(27)28/h7,10-12,23H,4-6,8-9H2,1-3H3,(H,27,28)	202	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C(C)C)c3c2F)C(=O)O	InChIKey=GUTIIQCJYCJEHT-UHFFFAOYSA-N
InChI=1S/C22H27F2N3O3/c1-2-25-10-13-7-8-26(11-13)20-17(23)9-15-19(18(20)24)27(14-5-3-4-6-14)12-16(21(15)28)22(29)30/h9,12-14,25H,2-8,10-11H2,1H3,(H,29,30)	203	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CCCC4)c3c2F)C(=O)O	InChIKey=YTFLEBJQRSWDNB-UHFFFAOYSA-N
InChI=1S/C23H22F3N3O3/c1-2-27-10-13-7-8-28(11-13)21-18(25)9-16-20(19(21)26)29(12-17(22(16)30)23(31)32)15-5-3-14(24)4-6-15/h3-6,9,12-13,27H,2,7-8,10-11H2,1H3,(H,31,32)	204	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c4ccc(F)cc4)c3c2F)C(=O)O	InChIKey=FXQNQEKWVGWJLT-UHFFFAOYSA-N
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)	205	CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4	InChIKey=NOCJXYPHIIZEHN-UHFFFAOYSA-N
InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	207	C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)S1(=O)=O)C(=O)O	InChIKey=LPQZKKCYTLCDGQ-WEDXCCLWSA-N
InChI=1S/C16H23N5O5S/c1-16(2)12(15(23)24)21-13(22)11(14(21)27(16,25)26)6-10-8-20(19-18-10)7-9-4-3-5-17-9/h8-9,11-12,14,17H,3-7H2,1-2H3,(H,23,24)/t9?,11-,12+,14-/m1/s1	208	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(=O)O	InChIKey=ANCXGKPUGCZNAI-OOPHUOBASA-N
InChI=1S/C17H18N4O6S/c1-17(2)13(16(24)25)21-14(23)12(15(21)28(17,26)27)7-9-8-20(19-18-9)10-3-5-11(22)6-4-10/h3-6,8,12-13,15,22H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	209	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)c4ccc(O)cc4)C2=O)S1(=O)=O)C(=O)O	InChIKey=KPAZRDMJBFRIBA-VNHYZAJKSA-N
InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)	210	CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O	InChIKey=XBJBPGROQZJDOJ-UHFFFAOYSA-N
InChI=1S/C18H21F2N3O3/c1-3-21-7-10-4-5-23(8-10)16-13(19)6-11-15(14(16)20)22(2)9-12(17(11)24)18(25)26/h6,9-10,21H,3-5,7-8H2,1-2H3,(H,25,26)	211	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C)c3c2F)C(=O)O	InChIKey=RIEVEPATIOSOBL-UHFFFAOYSA-N
InChI=1S/C23H29F2N3O3/c1-2-26-11-14-8-9-27(12-14)21-18(24)10-16-20(19(21)25)28(15-6-4-3-5-7-15)13-17(22(16)29)23(30)31/h10,13-15,26H,2-9,11-12H2,1H3,(H,30,31)	212	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CCCCC4)c3c2F)C(=O)O	InChIKey=QAORMUHKVFMXKK-UHFFFAOYSA-N
InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	213	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15	InChIKey=DSXXEELGXBCYNQ-UHFFFAOYSA-N
InChI=1S/C17H17FN4O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	214	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)c4ccc(F)cc4)C2=O)S1(=O)=O)C(=O)O	InChIKey=QSGHUBRFRCSOPB-VNHYZAJKSA-N
InChI=1S/C17H19N5O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7,18H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	215	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)c4ccc(N)cc4)C2=O)S1(=O)=O)C(=O)O	InChIKey=QEYUTORLTFVDOI-VNHYZAJKSA-N
InChI=1S/C20H25N5O6S/c1-20(2)16(19(28)29)25-17(27)15(18(25)32(20,30)31)8-13-10-24(23-22-13)9-12(21)7-11-3-5-14(26)6-4-11/h3-6,10,12,15-16,18,26H,7-9,21H2,1-2H3,(H,28,29)/t12?,15-,16+,18-/m1/s1	216	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(=O)O	InChIKey=NRHINWWLSKCJNI-NZHQHIMKSA-N
InChI=1S/C27H28N4O2/c1-29-16-20(18-10-5-7-12-22(18)29)24-25(27(33)28-26(24)32)21-17-30(14-9-15-31(2,3)4)23-13-8-6-11-19(21)23/h5-8,10-13,16-17H,9,14-15H2,1-4H3/p+1	217	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCC[N+](C)(C)C)c4ccccc34)c5ccccc15	InChIKey=AOJGRFPNHCPECH-UHFFFAOYSA-O
InChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)	219	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCC(=N)N)c4ccccc34)c5ccccc15	InChIKey=XIFBOSNPWOEMFB-UHFFFAOYSA-N
InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)	221	CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15	InChIKey=WHOOZDLAJIKMBZ-UHFFFAOYSA-N
InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)	222	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN)c4ccccc34)c5ccccc15	InChIKey=UQHKJRCFSLMWIA-UHFFFAOYSA-N
InChI=1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)	223	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CC)c3c2F)C(=O)O	InChIKey=BAYYCLWCHFVRLV-UHFFFAOYSA-N
InChI=1S/C20H23F2N3O3/c1-2-23-8-11-5-6-24(9-11)18-15(21)7-13-17(16(18)22)25(12-3-4-12)10-14(19(13)26)20(27)28/h7,10-12,23H,2-6,8-9H2,1H3,(H,27,28)	224	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O	InChIKey=WDBGUJBLPRXPIX-UHFFFAOYSA-N
InChI=1S/C25H24N6O2/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(33)29-23(21)32)18-14-31(12-6-11-28-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H4,26,27,28)(H,29,32,33)	225	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN=C(N)N)c4ccccc34)c5ccccc15	InChIKey=MFBWLCFHQHKTBP-UHFFFAOYSA-N
InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1	226	CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)c4ccccc4)C2=O)S1(=O)=O)C(=O)O	InChIKey=JLLMLHDLOMWYNZ-VNHYZAJKSA-N
InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1	227	CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(=O)O	InChIKey=HXCNDHVLZREMRV-QYJMCNQRSA-N
InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11-/m0/s1	228	COC(=O)\C=C\CC1[C@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O	InChIKey=WHIIGHHQWOXKEP-KWLOKCHISA-N
InChI=1S/C19H20F5N3O3/c1-2-25-6-10-3-4-26(7-10)16-13(20)5-11-15(14(16)21)27(9-19(22,23)24)8-12(17(11)28)18(29)30/h5,8,10,25H,2-4,6-7,9H2,1H3,(H,29,30)	229	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CC(F)(F)F)c3c2F)C(=O)O	InChIKey=ZZNFWBPQXYSWJZ-UHFFFAOYSA-N
InChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29)	230	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCO)c4ccccc34)c5ccccc15	InChIKey=SCANCBOXHLJFBT-UHFFFAOYSA-N
InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)	231	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCO)c4ccccc34)c5ccccc15	InChIKey=FUVJGBQDHCCGCD-UHFFFAOYSA-N
InChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)	232	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCO)c4ccccc34)c5ccccc15	InChIKey=DIBQJDJFXJGVJC-UHFFFAOYSA-N
InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)	233	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCCO)c4ccccc34)c5ccccc15	InChIKey=BSBODCATJMRXPP-UHFFFAOYSA-N
InChI=1S/C25H24N4O2/c1-26-12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-28(2)20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)	234	CNCCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15	InChIKey=AOUNSDICPNJTQM-UHFFFAOYSA-N
InChI=1S/C18H17N3O/c1-22-14-9-7-13(8-10-14)18-17(15-5-2-3-11-19-15)20-16-6-4-12-21(16)18/h2-3,5,7-11H,4,6,12H2,1H3	235	COc1ccc(cc1)c2c(nc3CCCn23)c4ccccn4	InChIKey=WOBKXRJWEJOYSB-UHFFFAOYSA-N
InChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14)	236	CCc1cc2c(Sc3nnc(N)s3)ncnc2s1	InChIKey=AUPONMVZYSWRCP-UHFFFAOYSA-N
InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)	237	CNN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3	InChIKey=RUXPNBWPIRDVTH-UHFFFAOYSA-N
InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)	238	CCc1cc2c(O)ncnc2s1	InChIKey=GXZAQJCUXCKYKB-UHFFFAOYSA-N
InChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32)	239	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCCN)c4ccccc34)c5ccccc15	InChIKey=MNDVTEUMTAQQKL-UHFFFAOYSA-N
InChI=1S/C25H24N4O2/c1-28-14-18(16-8-2-4-10-20(16)28)22-23(25(31)27-24(22)30)19-15-29(13-7-6-12-26)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13,26H2,1H3,(H,27,30,31)	240	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCN)c4ccccc34)c5ccccc15	InChIKey=SSAOZDCFQCAHNO-UHFFFAOYSA-N
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	241	OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O	InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2	242	C1CC(=CCN1)c2ccccc2	InChIKey=OMPXTQYWYRWWPH-UHFFFAOYSA-N
InChI=1S/C21H25F2N3O3/c1-2-24-8-13-5-6-25(10-13)19-16(22)7-14-18(17(19)23)26(9-12-3-4-12)11-15(20(14)27)21(28)29/h7,11-13,24H,2-6,8-10H2,1H3,(H,28,29)	243	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CC4CC4)c3c2F)C(=O)O	InChIKey=ROSRDMGBYZQEHK-UHFFFAOYSA-N
InChI=1S/C18H22F2N4O3/c1-3-22-7-10-4-5-23(8-10)16-13(19)6-11-15(14(16)20)24(21-2)9-12(17(11)25)18(26)27/h6,9-10,21-22H,3-5,7-8H2,1-2H3,(H,26,27)	244	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(NC)c3c2F)C(=O)O	InChIKey=COGAEMAFDYRGHN-UHFFFAOYSA-N
InChI=1S/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3	245	C[N+]1([O-])CCC(=CC1)c2ccccc2	InChIKey=FZVSMNOAJGWONA-UHFFFAOYSA-N
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	246	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3	InChIKey=OGJPXUAPXNRGGI-UHFFFAOYSA-N
InChI=1S/C26H25N5O2S/c1-30-14-18(16-8-2-4-10-20(16)30)22-23(25(33)29-24(22)32)19-15-31(12-6-7-13-34-26(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)	247	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCSC(=N)N)c4ccccc34)c5ccccc15	InChIKey=JVSJCRIQHOQHFU-UHFFFAOYSA-N
InChI=1S/C19H22F3N3O3/c1-2-23-8-11-3-5-24(9-11)17-14(21)7-12-16(15(17)22)25(6-4-20)10-13(18(12)26)19(27)28/h7,10-11,23H,2-6,8-9H2,1H3,(H,27,28)	248	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O	InChIKey=DYJAOVPMMTZXCS-UHFFFAOYSA-N
InChI=1S/C22H15N3O4/c26-22(27)14-6-4-13(5-7-14)21-24-19(20(25-21)16-3-1-2-10-23-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H,24,25)(H,26,27)	249	OC(=O)c1ccc(cc1)c2nc(c3ccc4OCOc4c3)c([nH]2)c5ccccn5	InChIKey=LKZOWZZOQPWIFO-UHFFFAOYSA-N
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	250	C[S+]([O-])c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	InChIKey=CDMGBJANTYXAIV-UHFFFAOYSA-N
InChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2	251	C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1	InChIKey=MUYFXUIFVHSJSW-UHFFFAOYSA-N
InChI=1S/C16H12FN3S/c17-12-6-4-11(5-7-12)15-14(13-3-1-2-8-18-13)19-16-20(15)9-10-21-16/h1-8H,9-10H2	255	Fc1ccc(cc1)c2c(nc3SCCn23)c4ccccn4	InChIKey=SNCRNESYWIOWPY-UHFFFAOYSA-N
InChI=1S/C17H14FN3/c18-13-8-6-12(7-9-13)17-16(14-4-1-2-10-19-14)20-15-5-3-11-21(15)17/h1-2,4,6-10H,3,5,11H2	256	Fc1ccc(cc1)c2c(nc3CCCn23)c4ccccn4	InChIKey=QRDCJBZLKGOQNO-UHFFFAOYSA-N
InChI=1S/C16H12FN3S/c17-13-3-1-12(2-4-13)15-14(11-5-7-18-8-6-11)19-16-20(15)9-10-21-16/h1-8H,9-10H2	257	Fc1ccc(cc1)c2c(nc3SCCn23)c4ccncc4	InChIKey=GLHFDXWSDZWRNN-UHFFFAOYSA-N
InChI=1S/C17H14FN3/c18-14-7-5-12(6-8-14)17-16(13-3-1-9-19-11-13)20-15-4-2-10-21(15)17/h1,3,5-9,11H,2,4,10H2	258	Fc1ccc(cc1)c2c(nc3CCCn23)c4cccnc4	InChIKey=NGUFJMKCHCGHMC-UHFFFAOYSA-N
InChI=1S/C20H20F2N4O3S/c1-2-23-8-11-3-5-25(9-11)17-14(21)7-12-16(15(17)22)26(20-24-4-6-30-20)10-13(18(12)27)19(28)29/h4,6-7,10-11,23H,2-3,5,8-9H2,1H3,(H,28,29)	259	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c4nccs4)c3c2F)C(=O)O	InChIKey=MAVIDMIMQVTJOW-UHFFFAOYSA-N
InChI=1S/C23H23F2N3O3/c1-2-26-11-14-8-9-27(12-14)21-18(24)10-16-20(19(21)25)28(15-6-4-3-5-7-15)13-17(22(16)29)23(30)31/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H,30,31)	260	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c4ccccc4)c3c2F)C(=O)O	InChIKey=JFFJIAZEFCOBMB-UHFFFAOYSA-N
InChI=1S/C21H25F2N3O3/c1-2-24-9-12-6-7-25(10-12)19-16(22)8-14-18(17(19)23)26(13-4-3-5-13)11-15(20(14)27)21(28)29/h8,11-13,24H,2-7,9-10H2,1H3,(H,28,29)	261	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CCC4)c3c2F)C(=O)O	InChIKey=VFHLGYSGLIALFL-UHFFFAOYSA-N
InChI=1S/C21H25F2N3O3/c1-3-24-9-12-4-7-25(10-12)18-15(22)8-13-17(16(18)23)26(21(2)5-6-21)11-14(19(13)27)20(28)29/h8,11-12,24H,3-7,9-10H2,1-2H3,(H,28,29)	262	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c3c2F)C4(C)CC4)C(=O)O	InChIKey=IPQMSQPETCRJAK-UHFFFAOYSA-N
InChI=1S/C25H23N7O4/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(34)28-23(21)33)18-14-31(20-10-5-3-8-16(18)20)12-6-11-27-25(26)29-32(35)36/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27,29)(H,28,33,34)	263	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCC\N=C(/N)\N[N+](=O)[O-])c4ccccc34)c5ccccc15	InChIKey=QWOYFIJNWGMAQA-UHFFFAOYSA-N
InChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3	265	CCc1cc2c(Cl)ncnc2s1	InChIKey=IYTRSBKGPIDYHI-UHFFFAOYSA-N
InChI=1S/C11H10N4S3/c1-3-7-4-8-9(17-7)12-5-13-10(8)18-11-15-14-6(2)16-11/h4-5H,3H2,1-2H3	266	CCc1cc2c(Sc3nnc(C)s3)ncnc2s1	InChIKey=VDRMYOGBNZKFRX-UHFFFAOYSA-N
InChI=1S/C11H11N5S2/c1-3-7-4-8-9(12-5-13-10(8)18-7)14-11-16-15-6(2)17-11/h4-5H,3H2,1-2H3,(H,12,13,14,16)	267	CCc1cc2c(Nc3nnc(C)s3)ncnc2s1	InChIKey=BDGZXAUQGBHBST-UHFFFAOYSA-N
InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)	268	Cc1ccc(Sc2cncc3sc(cc23)C(=O)N)cc1	InChIKey=QQGWEXFLMJGCAL-UHFFFAOYSA-N
InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-12-6-7-17-15-11(12)8-13(20-15)14(16)18/h2-8H,1H3,(H2,16,18)	269	Cc1ccc(Sc2ccnc3sc(cc23)C(=O)N)cc1	InChIKey=HCCGGYAWTMIWTN-UHFFFAOYSA-N
InChI=1S/C13H15NO3S/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)	270	COc1ccc2sc(C(=O)N)c(OC(C)C)c2c1	InChIKey=YNXSDBVUOOEWIK-UHFFFAOYSA-N
InChI=1S/C21H14FN3O2/c22-16-10-8-13(9-11-16)18-19(17-3-1-2-12-23-17)25-20(24-18)14-4-6-15(7-5-14)21(26)27/h1-12H,(H,24,25)(H,26,27)	271	OC(=O)c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccccn4	InChIKey=RQQBMRHOBFJBAW-UHFFFAOYSA-N
InChI=1S/C22H14N4O2/c23-12-14-4-6-15(7-5-14)22-25-20(21(26-22)17-3-1-2-10-24-17)16-8-9-18-19(11-16)28-13-27-18/h1-11H,13H2,(H,25,26)	272	N#Cc1ccc(cc1)c2nc(c3ccc4OCOc4c3)c([nH]2)c5ccccn5	InChIKey=ULAVWFANALBEHR-UHFFFAOYSA-N
InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)	273	NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4	InChIKey=FHYUGAJXYORMHI-UHFFFAOYSA-N
InChI=1S/C22H17N3O3/c26-12-14-4-6-15(7-5-14)22-24-20(21(25-22)17-3-1-2-10-23-17)16-8-9-18-19(11-16)28-13-27-18/h1-11,26H,12-13H2,(H,24,25)	274	OCc1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4	InChIKey=OXDOLEPGFYPERU-UHFFFAOYSA-N
InChI=1S/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27)	275	OC(=O)c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	InChIKey=LPNSUJMINOXWJC-UHFFFAOYSA-N
InChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29)	276	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCN)c4ccccc34)c5ccccc15	InChIKey=OZVIXSLTRMYODX-UHFFFAOYSA-N
InChI=1S/C24H21N5O2S/c1-28-12-16(14-6-2-4-8-18(14)28)20-21(23(31)27-22(20)30)17-13-29(10-11-32-24(25)26)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H3,25,26)(H,27,30,31)	277	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCSC(=N)N)c4ccccc34)c5ccccc15	InChIKey=OGEQEAYTMFZUQU-UHFFFAOYSA-N
InChI=1S/C27H27N5O2S/c1-31-15-19(17-9-3-5-11-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-12-6-4-10-18(20)22)13-7-2-8-14-35-27(28)29/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H3,28,29)(H,30,33,34)	278	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCCSC(=N)N)c4ccccc34)c5ccccc15	InChIKey=HPYZDMGHSZUKPM-UHFFFAOYSA-N
InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3	279	Cc1ccc(Sc2cncc3sc(CO)cc23)cc1	InChIKey=WJRCKUZHLDRTKL-UHFFFAOYSA-N
InChI=1S/C16H14N2OS2/c1-9-3-10(2)5-11(4-9)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	280	Cc1cc(C)cc(Sc2cncc3sc(cc23)C(=O)N)c1	InChIKey=FCRPXNKUUDMUOF-UHFFFAOYSA-N
InChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	281	Cc1ccc(Sc2cncc3sc(cc23)C(=O)N)cc1C	InChIKey=CHZNMKYYVJKVAE-UHFFFAOYSA-N
InChI=1S/C15H12N2OS2/c1-9-3-2-4-10(5-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)	282	Cc1cccc(Sc2cncc3sc(cc23)C(=O)N)c1	InChIKey=UACRFIVYIWIGPW-UHFFFAOYSA-N
InChI=1S/C15H12N2OS2/c1-9-4-2-3-5-11(9)19-13-7-17-8-14-10(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)	283	Cc1ccccc1Sc2cncc3sc(cc23)C(=O)N	InChIKey=UKYJEJDOFBKSDL-UHFFFAOYSA-N
InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)	284	NC(=O)c1cc2c(Sc3ccccc3)cncc2s1	InChIKey=ZNHBQYSWUBQOHO-UHFFFAOYSA-N
InChI=1S/C17H14N2O3S2/c1-11-2-4-12(5-3-11)23-15-8-18-9-16-14(15)6-13(24-16)7-19-22-10-17(20)21/h2-9H,10H2,1H3,(H,20,21)/b19-7+	285	Cc1ccc(Sc2cncc3sc(\C=N\OCC(=O)O)cc23)cc1	InChIKey=JBRKJDSSPYHLAV-FBCYGCLPSA-N
InChI=1S/C22H18N2OS2/c1-16-7-9-18(10-8-16)26-21-13-23-14-22-20(21)11-19(27-22)12-24-25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b24-12+	286	Cc1ccc(Sc2cncc3sc(\C=N\OCc4ccccc4)cc23)cc1	InChIKey=KWCKGBDQLUCVPZ-WYMPLXKRSA-N
InChI=1S/C21H16N2OS2/c1-15-7-9-17(10-8-15)25-20-13-22-14-21-19(20)11-18(26-21)12-23-24-16-5-3-2-4-6-16/h2-14H,1H3/b23-12+	287	Cc1ccc(Sc2cncc3sc(\C=N\Oc4ccccc4)cc23)cc1	InChIKey=SUTIBAVFDUBAHK-FSJBWODESA-N
InChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)19-14-8-16-9-15-13(14)6-12(20-15)7-17-18/h2-9,18H,1H3/b17-7+	288	Cc1ccc(Sc2cncc3sc(\C=N\O)cc23)cc1	InChIKey=IKLIWVJJRPHCBK-REZTVBANSA-N
InChI=1S/C8H5ClN2OS/c9-5-2-11-3-7-4(5)1-6(13-7)8(10)12/h1-3H,(H2,10,12)	289	NC(=O)c1cc2c(Cl)cncc2s1	InChIKey=VSCGXCOJFXTTTI-UHFFFAOYSA-N
InChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)20-15-8-17-9-16-13(15)7-14(21-16)11(2)18-19/h3-9,19H,1-2H3/b18-11+	290	C\C(=N/O)\c1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=OWLCNXXAKKVJLX-WOJGMQOQSA-N
InChI=1S/C17H15N3O2S2/c1-11-2-4-12(5-3-11)23-15-8-19-9-16-14(15)6-13(24-16)7-20-22-10-17(18)21/h2-9H,10H2,1H3,(H2,18,21)/b20-7+	291	Cc1ccc(Sc2cncc3sc(\C=N\OCC(=O)N)cc23)cc1	InChIKey=QDZRLXYXCIDAIW-IFRROFPPSA-N
InChI=1S/C28H23N5O6/c1-3-13-32(16-18-7-12-24-23(14-18)27(35)30-17(2)29-24)21-10-8-19(9-11-21)26(34)31-25(28(36)37)20-5-4-6-22(15-20)33(38)39/h1,4-12,14-15,25H,13,16H2,2H3,(H,31,34)(H,36,37)(H,29,30,35)/t25-/m1/s1	292	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(=O)O)c4cccc(c4)[N+](=O)[O-])ccc2n1	InChIKey=DXUMYPRUFRLLPV-RUZDIDTESA-N
InChI=1S/C15H13N3OS2/c1-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(19)18-16/h2-8H,16H2,1H3,(H,18,19)	293	Cc1ccc(Sc2cncc3sc(cc23)C(=O)NN)cc1	InChIKey=FTUONNQXYRDSJJ-UHFFFAOYSA-N
InChI=1S/C16H13NO2S2/c1-10-3-5-11(6-4-10)20-14-8-17-9-15-12(14)7-13(21-15)16(18)19-2/h3-9H,1-2H3	294	COC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=ZRGXRYWWKICVIL-UHFFFAOYSA-N
InChI=1S/C15H11NO2S2/c1-9-2-4-10(5-3-9)19-13-7-16-8-14-11(13)6-12(20-14)15(17)18/h2-8H,1H3,(H,17,18)	295	Cc1ccc(Sc2cncc3sc(cc23)C(=O)O)cc1	InChIKey=XMFGQDABHQXFFK-UHFFFAOYSA-N
InChI=1S/C21H15NOS2/c1-14-7-9-16(10-8-14)24-19-12-22-13-20-17(19)11-18(25-20)21(23)15-5-3-2-4-6-15/h2-13H,1H3	296	Cc1ccc(Sc2cncc3sc(cc23)C(=O)c4ccccc4)cc1	InChIKey=SHYPADXIXXYMGH-UHFFFAOYSA-N
InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3	297	CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=ZYKASDRUVLHDCC-UHFFFAOYSA-N
InChI=1S/C15H11NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-9H,1H3	298	Cc1ccc(Sc2cncc3sc(C=O)cc23)cc1	InChIKey=YUDWJDUKAOPKOV-UHFFFAOYSA-N
InChI=1S/C16H14N4OS2/c1-9-2-4-10(5-3-9)22-13-7-19-8-14-11(13)6-12(23-14)15(21)20-16(17)18/h2-8H,1H3,(H4,17,18,20,21)	299	Cc1ccc(Sc2cncc3sc(cc23)C(=O)N=C(N)N)cc1	InChIKey=MJUWXLAGWHBLRX-UHFFFAOYSA-N
InChI=1S/C22H25N3O2S2/c1-16-3-5-17(6-4-16)28-20-14-23-15-21-18(20)13-19(29-21)22(26)24-7-2-8-25-9-11-27-12-10-25/h3-6,13-15H,2,7-12H2,1H3,(H,24,26)	300	Cc1ccc(Sc2cncc3sc(cc23)C(=O)NCCCN4CCOCC4)cc1	InChIKey=BAMQIZHSONHTIY-UHFFFAOYSA-N
InChI=1S/C16H15NS2/c1-3-12-8-14-15(18-12)9-17-10-16(14)19-13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3	301	CCc1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=RXBQQWRDZWCDNV-UHFFFAOYSA-N
InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)	302	CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=YLPWORNATWTQBL-UHFFFAOYSA-N
InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3	303	CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1	InChIKey=SOQHCJHLGFPETK-UHFFFAOYSA-N
InChI=1S/C13H9N3OS2/c14-13(17)9-5-8-10(18-9)6-15-7-11(8)19-12-3-1-2-4-16-12/h1-7H,(H2,14,17)	304	NC(=O)c1cc2c(Sc3ccccn3)cncc2s1	InChIKey=PSKMZVNDTWWURQ-UHFFFAOYSA-N
InChI=1S/C20H14N2OS2/c21-20(23)17-10-16-18(11-22-12-19(16)25-17)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,23)	305	NC(=O)c1cc2c(Sc3ccc(cc3)c4ccccc4)cncc2s1	InChIKey=ZWUVBQXJINWOPT-UHFFFAOYSA-N
InChI=1S/C15H12N2O2S2/c1-19-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(16)18/h2-8H,1H3,(H2,16,18)	306	COc1ccc(Sc2cncc3sc(cc23)C(=O)N)cc1	InChIKey=RMBAIZKYEXOATM-UHFFFAOYSA-N
InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)	307	NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1	InChIKey=BSSKWUVAKNLPJS-UHFFFAOYSA-N
InChI=1S/C14H8Cl2N2OS2/c15-9-2-1-7(3-10(9)16)20-12-5-18-6-13-8(12)4-11(21-13)14(17)19/h1-6H,(H2,17,19)	308	NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1	InChIKey=QVUTVXHVMPGTGU-UHFFFAOYSA-N
InChI=1S/C14H9ClN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)	309	NC(=O)c1cc2c(Sc3ccc(Cl)cc3)cncc2s1	InChIKey=FEALMGPTNALDDO-UHFFFAOYSA-N
InChI=1S/C18H18N2O3S2/c1-11-2-4-13(5-3-11)24-16-8-19-9-17-14(16)6-15(25-17)18(23)20-7-12(22)10-21/h2-6,8-9,12,21-22H,7,10H2,1H3,(H,20,23)	316	Cc1ccc(Sc2cncc3sc(cc23)C(=O)NCC(O)CO)cc1	InChIKey=BIPSSPQUWRNOHP-UHFFFAOYSA-N
InChI=1S/C21H15ClN2OS2/c1-13-2-8-16(9-3-13)26-19-11-23-12-20-17(19)10-18(27-20)21(25)24-15-6-4-14(22)5-7-15/h2-12H,1H3,(H,24,25)	317	Cc1ccc(Sc2cncc3sc(cc23)C(=O)Nc4ccc(Cl)cc4)cc1	InChIKey=RFQLTDLTIFNUSF-UHFFFAOYSA-N
InChI=1S/C15H12N2S3/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)	318	Cc1ccc(Sc2cncc3sc(cc23)C(=N)S)cc1	InChIKey=QLXROZMKZYNEFD-UHFFFAOYSA-N
InChI=1S/C18H18Br4O2/c1-3-11(9-5-13(19)17(23)14(20)6-9)12(4-2)10-7-15(21)18(24)16(22)8-10/h5-8,11-12,23-24H,3-4H2,1-2H3	319	CCC(C(CC)c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2	InChIKey=DQKVXTQTHINZKZ-UHFFFAOYSA-N
InChI=1S/C26H36O7/c1-15(28)33-21-12-26(30)20-5-4-17-11-18(32-14-27)6-8-24(17,2)19(20)7-9-25(26,3)23(21)16-10-22(29)31-13-16/h10,14,17-21,23,30H,4-9,11-13H2,1-3H3/t17?,18?,19?,20?,21?,23-,24?,25?,26?/m0/s1	321	CC(=O)OC1CC2(O)C3CCC4CC(CCC4(C)C3CCC2(C)[C@H]1C5=CC(=O)OC5)OC=O	InChIKey=ZEEYZPOVXZIYAU-RFRNIKGMSA-N
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	322	COc1ccc2c(c1)[nH]c3c(C)nccc23	InChIKey=BXNJHAXVSOCGBA-UHFFFAOYSA-N
InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2	323	Brc1cccc2c3CCNCc3[nH]c12	InChIKey=QDAJATJOFYZEDN-UHFFFAOYSA-N
InChI=1S/C11H9BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,6,14H,4-5H2	324	Brc1cccc2c3CCN=Cc3[nH]c12	InChIKey=BHLUQLWTEJKCOP-UHFFFAOYSA-N
InChI=1S/C38H61N7O6/c1-24(2)21-30(37(50)51)43-35(48)32(38(3,4)5)44-33(46)29(22-26-23-41-28-16-7-6-15-27(26)28)42-34(47)31-17-12-20-45(31)36(49)25(13-8-10-18-39)14-9-11-19-40/h6-7,15-16,23-25,29-32,41H,8-14,17-22,39-40H2,1-5H3,(H,42,47)(H,43,48)(H,44,46)(H,50,51)/t29-,30-,31+,32+/m0/s1	325	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O	InChIKey=TUHYVXGNMOGVMR-GASGPIRDSA-N
InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)50-37(56)33(41(3,4)5)51-35(54)30(22-25-23-47-27-14-8-7-13-26(25)27)49-36(55)32-17-12-20-52(32)38(57)29(15-9-10-18-42)48-34(53)28(45-6)16-11-19-46-40(43)44/h7-8,13-14,23-24,28-33,45,47H,9-12,15-22,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,46)/t28-,29-,30-,31-,32-,33+/m0/s1	326	CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C	InChIKey=CPFQZWHHAOAIFM-YTTLQHOZSA-N
InChI=1S/C14H11NS2/c1-10-2-4-11(5-3-10)17-14-9-15-8-13-12(14)6-7-16-13/h2-9H,1H3	327	Cc1ccc(Sc2cncc3sccc23)cc1	InChIKey=XPRGBAGZSJYCMW-UHFFFAOYSA-N
InChI=1S/C25H34O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-18(23)7-9-24(3)22(15-10-21(28)30-13-15)20(27)12-25(19,24)29/h10,16-19,22,29H,4-9,11-13H2,1-3H3/t16?,17?,18?,19?,22-,23?,24?,25?/m1/s1	328	CC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)[C@@H](C(=O)CC34O)C5=CC(=O)OC5)C1	InChIKey=JIOXQMJNOROPDA-NAWSPUSUSA-N
InChI=1S/C18H21FO2/c1-3-15(12-5-8-14(20)9-6-12)16(4-2)13-7-10-18(21)17(19)11-13/h5-11,15-16,20-21H,3-4H2,1-2H3	329	CCC(C(CC)c1ccc(O)c(F)c1)c2ccc(O)cc2	InChIKey=ILINIAJBGBCWBF-UHFFFAOYSA-N
InChI=1S/C12H12N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6-7,14H,4-5H2,1H3	331	COc1ccc2[nH]c3C=NCCc3c2c1	InChIKey=BJODVFITWMPYMU-UHFFFAOYSA-N
InChI=1S/C15H19N5O3/c1-15(2)12(21)11(19-14(18-3)20-13(17)22)9-6-8(7-16)4-5-10(9)23-15/h4-6,11-12,21H,1-3H3,(H4,17,18,19,20,22)/t11?,12-/m0/s1	332	C\N=C(/NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N)\NC(=O)N	InChIKey=RPBAVDJWWGGNKS-KIYNQFGBSA-N
InChI=1S/C25H36O7/c1-23-8-6-16(32-22(28)30-3)11-15(23)4-5-18-17(23)7-9-24(2)21(14-10-20(27)31-13-14)19(26)12-25(18,24)29/h10,15-19,21,26,29H,4-9,11-13H2,1-3H3/t15?,16?,17?,18?,19?,21-,23?,24?,25?/m0/s1	333	COC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)[C@H](C(O)CC34O)C5=CC(=O)OC5)C1	InChIKey=HLVMTJOTGLNNPR-ZMPPODJZSA-N
InChI=1S/C16H15BrN4O3S/c1-21(2)12-7-3-6-11-10(12)5-4-8-13(11)25(23,24)20-15-16(22)19-14(17)9-18-15/h3-9H,1-2H3,(H,18,20)(H,19,22)	334	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3O	InChIKey=QGWCWMMDAPXEJF-UHFFFAOYSA-N
InChI=1S/C34H38N2O5S/c1-22-23(2)31-28(24(3)30(22)40-20-26-9-7-6-8-10-26)15-16-34(4,41-31)21-36(5)17-18-39-27-13-11-25(12-14-27)19-29-32(37)35-33(38)42-29/h6-14,19H,15-18,20-21H2,1-5H3,(H,35,37,38)/b29-19-	335	CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(OCc5ccccc5)c(C)c(C)c4O3	InChIKey=IUCVMFQGKCHLPG-CEUNXORHSA-N
InChI=1S/C25H22FN5O2S/c1-4-7-31(13-17-9-21-23(8-15(17)2)29-16(3)30-25(21)33)18-5-6-20(22(26)10-18)24(32)28-12-19-11-27-14-34-19/h1,5-6,8-11,14H,7,12-13H2,2-3H3,(H,28,32)(H,29,30,33)	336	Cc1nc(O)c2cc(CN(CC#C)c3ccc(C(=O)NCc4cncs4)c(F)c3)c(C)cc2n1	InChIKey=RRZRVGRSEJDOSI-UHFFFAOYSA-N
InChI=1S/C6H17N4O3P/c1-9-6(8)10-4-2-3-5(7)14(11,12)13/h5H,2-4,7H2,1H3,(H3,8,9,10)(H2,11,12,13)	339	CNC(=N)NCCCC(N)P(=O)(O)O	InChIKey=SGRXBUFWCPMGAO-UHFFFAOYSA-N
InChI=1S/C16H20N4O3/c1-9(21)19-15(18-4)20-13-11-7-10(8-17)5-6-12(11)23-16(2,3)14(13)22/h5-7,13-14,22H,1-4H3,(H2,18,19,20,21)/t13?,14-/m0/s1	340	C\N=C(/NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N)\NC(=O)C	InChIKey=HBGSKAUQVBOOCB-KZUDCZAMSA-N
InChI=1S/C29H24FN5O2/c1-4-10-35(17-22-13-25-27(11-18(22)2)33-19(3)34-29(25)37)23-8-9-24(26(30)14-23)28(36)32-16-21-7-5-6-20(12-21)15-31/h1,5-9,11-14H,10,16-17H2,2-3H3,(H,32,36)(H,33,34,37)	341	Cc1cc2nc(C)nc(O)c2cc1CN(CC#C)c3ccc(C(=O)NCc4cccc(c4)C#N)c(F)c3	InChIKey=IJZWNCOLMNECHC-UHFFFAOYSA-N
InChI=1S/C15H12BrN3O3S/c1-22-15-14(17-9-13(16)18-15)19-23(20,21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,19)	342	COc1nc(Br)cnc1NS(=O)(=O)c2cccc3ccccc23	InChIKey=SNZBYFGGSSWJKY-UHFFFAOYSA-N
InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,7,14H,5-6H2,1H3	343	COc1cccc2[nH]c3C=NCCc3c12	InChIKey=UXOCVYNVGBOVRY-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,13-14H,5-7H2,1H3	344	COc1cccc2[nH]c3CNCCc3c12	InChIKey=VPZWHBCLJCKHGZ-UHFFFAOYSA-N
InChI=1S/C25H22FN5O2S/c1-4-8-31(14-17-11-20-22(10-15(17)2)29-16(3)30-25(20)33)18-5-6-19(21(26)12-18)24(32)28-13-23-27-7-9-34-23/h1,5-7,9-12H,8,13-14H2,2-3H3,(H,28,32)(H,29,30,33)	345	Cc1nc(O)c2cc(CN(CC#C)c3ccc(C(=O)NCc4nccs4)c(F)c3)c(C)cc2n1	InChIKey=AXHUAPLCCVARQP-UHFFFAOYSA-N
InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)	346	NC(CCCN=C(N)N)P(=O)(O)O	InChIKey=MMEPWCMDQUSOLC-UHFFFAOYSA-N
InChI=1S/C5H15N4O2P/c6-4(12(10)11)2-1-3-9-5(7)8/h4,12H,1-3,6H2,(H,10,11)(H4,7,8,9)	347	NC(CCCN=C(N)N)P(=O)O	InChIKey=QJSNYLAWEFWUGH-UHFFFAOYSA-N
InChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)21(19)14-8-17-7-13-11(14)6-12(20-13)15(16)18/h2-8H,1H3,(H2,16,18)	348	Cc1ccc(cc1)[S+]([O-])c2cncc3sc(cc23)C(=O)N	InChIKey=UDXYEVHQVWGZNF-UHFFFAOYSA-N
InChI=1S/C9H7N3O2S2/c10-8(13)5-1-4-6(15-5)2-12-3-7(4)16-9(11)14/h1-3H,(H2,10,13)(H2,11,14)	349	NC(=O)Sc1cncc2sc(cc12)C(=O)N	InChIKey=NAZYRCYZEDTRRL-UHFFFAOYSA-N
InChI=1S/C15H11ClN2OS2/c16-10-3-1-9(2-4-10)8-20-13-6-18-7-14-11(13)5-12(21-14)15(17)19/h1-7H,8H2,(H2,17,19)	350	NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1	InChIKey=NXPULJKXDBZNKI-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3	351	COc1ccc2c3CCNCc3[nH]c2c1	InChIKey=SCIRNASYBOGBOO-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3	352	COc1cccc2c3CCNCc3[nH]c12	InChIKey=KKTKOWJABJYACN-UHFFFAOYSA-N
InChI=1S/C27H23N5O4/c1-3-13-31(17-20-7-12-25-24(15-20)27(34)30-18(2)29-25)22-10-8-21(9-11-22)26(33)28-16-19-5-4-6-23(14-19)32(35)36/h1,4-12,14-15H,13,16-17H2,2H3,(H,28,33)(H,29,30,34)	354	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cccc(c4)[N+](=O)[O-])ccc2n1	InChIKey=KFCWTQZXACGAEC-UHFFFAOYSA-N
InChI=1S/C14H16N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,17)	356	NC(=O)c1cc2c(SC3CCCCC3)cncc2s1	InChIKey=PYXYBCUELBQETB-UHFFFAOYSA-N
InChI=1S/C13H10N2O2S2/c1-7-9(2-3-17-7)18-11-5-15-6-12-8(11)4-10(19-12)13(14)16/h2-6H,1H3,(H2,14,16)	357	Cc1occc1Sc2cncc3sc(cc23)C(=O)N	InChIKey=MHUNFXUJVKCTBU-UHFFFAOYSA-N
InChI=1S/C11H8N4OS3/c1-5-14-15-11(17-5)19-9-4-13-3-8-6(9)2-7(18-8)10(12)16/h2-4H,1H3,(H2,12,16)	358	Cc1nnc(Sc2cncc3sc(cc23)C(=O)N)s1	InChIKey=AWXAYFPYWJWJIZ-UHFFFAOYSA-N
InChI=1S/C27H24N4O2/c1-3-15-31(18-21-9-14-25-24(16-21)27(33)30-19(2)29-25)23-12-10-22(11-13-23)26(32)28-17-20-7-5-4-6-8-20/h1,4-14,16H,15,17-18H2,2H3,(H,28,32)(H,29,30,33)	361	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1	InChIKey=LNHPAWVCAFLDAV-UHFFFAOYSA-N
InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	362	Cc1ccc(Sc2cncc3sc(cc23)C(=O)N)c(C)c1	InChIKey=QFOXETVRYKJOAL-UHFFFAOYSA-N
InChI=1S/C42H71N11O6/c1-7-59-40(58)33(22-26(2)3)51-38(56)35(42(4,5)6)52-36(54)32(23-27-24-48-30-16-9-8-15-29(27)30)50-37(55)34-18-13-21-53(34)39(57)31(17-10-11-19-43)49-25-28(44)14-12-20-47-41(45)46/h8-9,15-16,24,26,28,31-35,48-49H,7,10-14,17-23,25,43-44H2,1-6H3,(H,50,55)(H,51,56)(H,52,54)(H4,45,46,47)/t28-,31-,32-,33-,34+,35+/m0/s1	364	CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C	InChIKey=VIQMOELTQCVDEP-PYRHRAGMSA-N
InChI=1S/C42H71N9O6/c1-7-57-41(56)34(23-27(2)3)49-39(54)36(42(4,5)6)50-37(52)33(24-28-25-46-31-17-9-8-16-30(28)31)48-38(53)35-19-14-22-51(35)40(55)32(18-11-13-21-44)47-26-29(45)15-10-12-20-43/h8-9,16-17,25,27,29,32-36,46-47H,7,10-15,18-24,26,43-45H2,1-6H3,(H,48,53)(H,49,54)(H,50,52)/t29-,32-,33-,34-,35+,36+/m0/s1	365	CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C	InChIKey=LVROVYGTQUFAMB-KHNYIJCKSA-N
InChI=1S/C24H34O6/c1-22-7-5-16(30-13-25)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(26)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3/t15?,16?,17?,18?,19?,21-,22?,23?,24?/m0/s1	366	CC12CCC(CC1CCC3C2CCC4(C)[C@H](C(O)CC34O)C5=CC(=O)OC5)OC=O	InChIKey=IBXGFVOYNLQTCB-BIIWZAKESA-N
InChI=1S/C18H20F2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3	367	CCC(C(CC)c1ccc(O)c(F)c1)c2ccc(O)c(F)c2	InChIKey=FKJMLZCOBHMNEM-UHFFFAOYSA-N
InChI=1S/C18H21IO2/c1-3-15(12-5-8-14(20)9-6-12)16(4-2)13-7-10-18(21)17(19)11-13/h5-11,15-16,20-21H,3-4H2,1-2H3	368	CCC(C(CC)c1ccc(O)c(I)c1)c2ccc(O)cc2	InChIKey=FTDFPDSIXDKWJJ-UHFFFAOYSA-N
InChI=1S/C26H31N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	369	CN(C1CCCC1)C(=O)[C@H](Cc2ccc(CN)cc2)NS(=O)(=O)c3ccc4ccccc4c3	InChIKey=IECQKBVHIONTKP-VWLOTQADSA-N
InChI=1S/C16H13NOS2/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-12(13)9-15(20-14)16(17)18/h2-9H,1H3,(H2,17,18)	370	Cc1ccc(Sc2cccc3sc(cc23)C(=O)N)cc1	InChIKey=ZXSNJMQNZVKFAI-UHFFFAOYSA-N
InChI=1S/C27H38O9/c1-25-9-7-17(35-23(29)32-3)12-16(25)5-6-19-18(25)8-10-26(2)22(15-11-21(28)34-14-15)20(13-27(19,26)31)36-24(30)33-4/h11,16-20,22,31H,5-10,12-14H2,1-4H3/t16?,17?,18?,19?,20?,22-,25?,26?,27?/m0/s1	373	COC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)[C@H](C(CC34O)OC(=O)OC)C5=CC(=O)OC5)C1	InChIKey=HYXADCNHLHVWFL-RRBLJXJCSA-N
InChI=1S/C22H22N4O2/c1-4-12-26(18-9-7-17(8-10-18)21(27)23-5-2)14-16-6-11-20-19(13-16)22(28)25-15(3)24-20/h1,6-11,13H,5,12,14H2,2-3H3,(H,23,27)(H,24,25,28)	374	CCNC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2	InChIKey=KSWPEQCUIDFCRM-UHFFFAOYSA-N
InChI=1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3	375	CCC(C(CC)c1ccc(O)c(I)c1)c2ccc(O)c(I)c2	InChIKey=JHLLTEJRPPJGGQ-UHFFFAOYSA-N
InChI=1S/C17H14BrN5O2S/c1-23(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)22-17-13(9-19)21-16(18)10-20-17/h3-8,10H,1-2H3,(H,20,22)	377	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3C#N	InChIKey=IGJDESVBMNYUJM-UHFFFAOYSA-N
InChI=1S/C6H17N4O2P/c1-9-6(8)10-4-2-3-5(7)13(11)12/h5,13H,2-4,7H2,1H3,(H,11,12)(H3,8,9,10)	378	CNC(=N)NCCCC(N)P(=O)O	InChIKey=QUCVYMHDPZYIIO-UHFFFAOYSA-N
InChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2	379	C1Cc2c(C=N1)[nH]c3ccccc23	InChIKey=NTYXKFHKVREUMR-UHFFFAOYSA-N
InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)	380	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Br)nn3	InChIKey=LAGNMQASQNSBPF-UHFFFAOYSA-N
InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)	381	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Cl)nn3	InChIKey=CIYDSKLFHZROHZ-UHFFFAOYSA-N
InChI=1S/C34H53N7O6/c1-20(2)17-26(33(46)47)39-31(44)28(34(3,4)5)40-29(42)25(18-21-19-37-24-13-7-6-11-22(21)24)38-30(43)27-14-10-16-41(27)32(45)23(36)12-8-9-15-35/h6-7,11,13,19-20,23,25-28,37H,8-10,12,14-18,35-36H2,1-5H3,(H,38,43)(H,39,44)(H,40,42)(H,46,47)/t23-,25-,26-,27-,28+/m0/s1	382	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)O	InChIKey=MEOLJNZRWYJYQU-FWWXEKRMSA-N
InChI=1S/C18H19Br3O2/c1-3-12(10-5-6-17(22)14(19)7-10)13(4-2)11-8-15(20)18(23)16(21)9-11/h5-9,12-13,22-23H,3-4H2,1-2H3	386	CCC(C(CC)c1cc(Br)c(O)c(Br)c1)c2ccc(O)c(Br)c2	InChIKey=CYHLJVJTZORJDH-UHFFFAOYSA-N
InChI=1S/C5H14N5O5P/c6-4(16(13,14)15)2-1-3-8-5(7)9-10(11)12/h4H,1-3,6H2,(H3,7,8,9)(H2,13,14,15)	387	NC(CCC\N=C(\N)/N[N+](=O)[O-])P(=O)(O)O	InChIKey=UUMBGKKJTJJJOB-UHFFFAOYSA-N
InChI=1S/C11H11BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,13-14H,4-6H2	388	Brc1cccc2[nH]c3CNCCc3c12	InChIKey=AOMJWOGZKNQVBI-UHFFFAOYSA-N
InChI=1S/C11H11BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2	389	Brc1ccc2[nH]c3CNCCc3c2c1	InChIKey=WUTVTUWSFMYRJK-UHFFFAOYSA-N
InChI=1S/C38H61N11O6/c1-22(2)19-28(35(54)55)47-33(52)30(38(3,4)5)48-31(50)27(20-24-21-45-26-14-7-6-13-25(24)26)46-32(51)29-15-10-18-49(29)34(53)23(11-8-16-43-36(39)40)12-9-17-44-37(41)42/h6-7,13-14,21-23,27-30,45H,8-12,15-20H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1	390	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)C(CCCN=C(N)N)CCCN=C(N)N)C(C)(C)C)C(=O)O	InChIKey=KSAMAHDHHCBDRP-VZNYXHRGSA-N
InChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-33(40(54)55)21-25(2)3)48-36(50)32(22-27-23-44-30-15-7-6-14-29(27)30)46-37(51)34-17-12-20-49(34)39(53)31(16-9-11-19-42)45-24-28(43)13-8-10-18-41/h6-7,14-15,23,25-26,28,31-35,44-45H,5,8-13,16-22,24,41-43H2,1-4H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t26-,28-,31-,32-,33-,34+,35-/m0/s1	391	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O	InChIKey=IXQSLTQEPOPVAT-KGAIBMCASA-N
InChI=1S/C42H70N8O6/c1-7-56-41(55)34(25-28(2)3)48-39(53)36(42(4,5)6)49-37(51)33(26-29-27-46-31-18-11-10-17-30(29)31)47-38(52)35-20-16-24-50(35)40(54)32(19-12-14-22-44)45-23-15-9-8-13-21-43/h10-11,17-18,27-28,32-36,45-46H,7-9,12-16,19-26,43-44H2,1-6H3,(H,47,52)(H,48,53)(H,49,51)/t32-,33-,34-,35+,36+/m0/s1	392	CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NCCCCCCN)C(C)(C)C	InChIKey=GTZOSACOASNOSD-YQYWCZHNSA-N
InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)	393	CNc1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3OC	InChIKey=XDULZYJHZGTMOM-UHFFFAOYSA-N
InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)	394	COc1nc(C)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=OWLNCBVMDZBDPC-UHFFFAOYSA-N
InChI=1S/C67H111N23O15S3/c1-35(2)52(64(104)88-49(34-108)63(103)90-53(36(3)4)65(105)87-48(33-107)61(101)81-41(54(72)94)18-12-26-77-66(73)74)89-58(98)43(19-13-27-78-67(75)76)82-57(97)42(17-9-11-25-69)80-51(93)31-79-56(96)46(30-50(71)92)85-62(102)47(32-106)86-60(100)45(29-38-20-22-39(91)23-21-38)84-59(99)44(28-37-14-6-5-7-15-37)83-55(95)40(70)16-8-10-24-68/h5-7,14-15,20-23,35-36,40-49,52-53,91,106-108H,8-13,16-19,24-34,68-70H2,1-4H3,(H2,71,92)(H2,72,94)(H,79,96)(H,80,93)(H,81,101)(H,82,97)(H,83,95)(H,84,99)(H,85,102)(H,86,100)(H,87,105)(H,88,104)(H,89,98)(H,90,103)(H4,73,74,77)(H4,75,76,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-/m0/s1	395	CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N	InChIKey=OFEYYJRLFHSIBC-FREYHWRISA-N
InChI=1S/C42H67N15O16S/c1-17(2)30-37(69)48-14-27(61)55-40(72)39(71)52-21-8-9-28-57(41(21)73)24(16-74-28)36(68)53-23(15-58)34(66)47-13-26(60)54-31(18(3)4)38(70)49-19(5)32(64)51-20(7-6-10-45-42(43)44)33(65)46-12-25(59)50-22(11-29(62)63)35(67)56-30/h17-24,28,30-31,40,58,72H,6-16H2,1-5H3,(H,46,65)(H,47,66)(H,48,69)(H,49,70)(H,50,59)(H,51,64)(H,52,71)(H,53,68)(H,54,60)(H,55,61)(H,56,67)(H,62,63)(H4,43,44,45)/t19-,20+,21+,22+,23+,24+,28+,30-,31+,40-/m1/s1	396	CC(C)[C@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CS[C@H]3CC[C@H](NC(=O)[C@@H](O)NC(=O)CNC1=O)C(=O)N23)C(C)C	InChIKey=ZMRHQLPWCJWFDB-GQJOWJQCSA-N
InChI=1S/C5H14N5O4P/c6-4(15(13)14)2-1-3-8-5(7)9-10(11)12/h4,15H,1-3,6H2,(H,13,14)(H3,7,8,9)	398	NC(CCC\N=C(\N)/N[N+](=O)[O-])P(=O)O	InChIKey=GWSFKOTWSDKFRJ-UHFFFAOYSA-N
InChI=1S/C12H13BrN2O/c1-16-7-4-9(13)12-8-2-3-14-6-11(8)15-10(12)5-7/h4-5,14-15H,2-3,6H2,1H3	399	COc1cc(Br)c2c3CCNCc3[nH]c2c1	InChIKey=UOJPZOFUKSVRMM-UHFFFAOYSA-N
InChI=1S/C18H19I3O2/c1-3-12(10-5-6-17(22)14(19)7-10)13(4-2)11-8-15(20)18(23)16(21)9-11/h5-9,12-13,22-23H,3-4H2,1-2H3	400	CCC(C(CC)c1cc(I)c(O)c(I)c1)c2ccc(O)c(I)c2	InChIKey=UJNOMSBKKJBHLS-UHFFFAOYSA-N
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3	401	CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2	InChIKey=PBBGSZCBWVPOOL-UHFFFAOYSA-N
InChI=1S/C11H11BrN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5,13-14H,3-4,6H2	402	Brc1ccc2c3CCNCc3[nH]c2c1	InChIKey=XAHAQVIJZAMMLO-UHFFFAOYSA-N
InChI=1S/C12H14N2/c1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h2-5,13H,6-8H2,1H3	403	Cn1c2CNCCc2c3ccccc13	InChIKey=STMNLEHELVDDKF-UHFFFAOYSA-N
InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-15-11-8-13(14(16)18)20-12(11)6-7-17-15/h2-8H,1H3,(H2,16,18)	405	Cc1ccc(Sc2nccc3sc(cc23)C(=O)N)cc1	InChIKey=JFLJTGZONHVXKC-UHFFFAOYSA-N
InChI=1S/C15H15N3S/c1-2-12-8-13-14(17-10-18-15(13)19-12)16-9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,16,17,18)	406	CCc1cc2c(NCc3ccccc3)ncnc2s1	InChIKey=AAVTVGPMIUAKNN-UHFFFAOYSA-N
InChI=1S/C13H11N3S2/c1-2-9-7-10-12(17-9)15-8-16-13(10)18-11-5-3-4-6-14-11/h3-8H,2H2,1H3	407	CCc1cc2c(Sc3ccccn3)ncnc2s1	InChIKey=MTPZVCQHXWGZBV-UHFFFAOYSA-N
InChI=1S/C11H9BrN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5-6,14H,3-4H2	408	Brc1ccc2c3CCN=Cc3[nH]c2c1	InChIKey=NTZLLWPDAQVIOA-UHFFFAOYSA-N
InChI=1S/C11H9BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5-6,14H,3-4H2	409	Brc1ccc2[nH]c3C=NCCc3c2c1	InChIKey=PAHAIWFYCZHWKN-UHFFFAOYSA-N
InChI=1S/C27H24FN5O2/c1-4-11-33(16-19-13-23-25(12-17(19)2)31-18(3)32-27(23)35)21-8-9-22(24(28)14-21)26(34)30-15-20-7-5-6-10-29-20/h1,5-10,12-14H,11,15-16H2,2-3H3,(H,30,34)(H,31,32,35)	410	Cc1cc2nc(C)nc(O)c2cc1CN(CC#C)c3ccc(C(=O)NCc4ccccn4)c(F)c3	InChIKey=VFBHWSHDVLQQPY-UHFFFAOYSA-N
InChI=1S/C14H17N3O3/c1-14(2)12(18)11(17-13(19)16-3)9-6-8(7-15)4-5-10(9)20-14/h4-6,11-12,18H,1-3H3,(H2,16,17,19)/t11?,12-/m0/s1	411	CNC(=O)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N	InChIKey=UMRCYSZVHWKWQX-KIYNQFGBSA-N
InChI=1S/C15H17N5O2/c1-15(2)13(21)12(20-14(18-3)19-8-17)10-6-9(7-16)4-5-11(10)22-15/h4-6,12-13,21H,1-3H3,(H2,18,19,20)/t12?,13-/m0/s1	412	C\N=C(\NC#N)/NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N	InChIKey=ZGWBHTSVFICBRG-ABLWVSNPSA-N
InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	415	Cn1c2CCNCCc2c3ccccc13	InChIKey=ZBXDOQWPGBISAR-UHFFFAOYSA-N
InChI=1S/C36H57N7O6/c1-22(2)19-28(35(48)49)41-33(46)30(36(3,4)5)42-31(44)27(20-24-21-39-26-14-7-6-13-25(24)26)40-32(45)29-15-10-18-43(29)34(47)23(11-8-16-37)12-9-17-38/h6-7,13-14,21-23,27-30,39H,8-12,15-20,37-38H2,1-5H3,(H,40,45)(H,41,46)(H,42,44)(H,48,49)/t27-,28-,29+,30+/m0/s1	416	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)C(CCCN)CCCN)C(C)(C)C)C(=O)O	InChIKey=GBKKQCVVANVNHX-VZNYXHRGSA-N
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2	417	C1Cc2c(CN1)[nH]c3ccccc23	InChIKey=CFTOTSJVQRFXOF-UHFFFAOYSA-N
InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)	418	CC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O	InChIKey=ZWAOHEXOSAUJHY-UHFFFAOYSA-N
InChI=1S/C24H21N5O2S/c1-3-11-29(15-17-4-9-21-20(13-17)24(31)28-16(2)27-21)19-7-5-18(6-8-19)23(30)26-14-22-25-10-12-32-22/h1,4-10,12-13H,11,14-15H2,2H3,(H,26,30)(H,27,28,31)	421	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4nccs4)ccc2n1	InChIKey=KZLJKKYKXIDXME-UHFFFAOYSA-N
InChI=1S/C15H15N5O/c1-15(2)7-12(20-14(18-3)19-9-17)11-6-10(8-16)4-5-13(11)21-15/h4-7H,1-3H3,(H2,18,19,20)	422	CN\C(=N\C1=CC(C)(C)Oc2ccc(cc12)C#N)\NC#N	InChIKey=UDFJPJOYKICJSU-UHFFFAOYSA-N
InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3	423	CSc1ccc(CC(C)N)cc1	InChIKey=OLEWMKVPSUCNLG-UHFFFAOYSA-N
InChI=1S/C26H25FN4O6/c1-4-9-31(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)35)17-5-6-18(20(27)12-17)24(34)30-21(26(36)37)7-8-23(32)33/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,34)(H,32,33)(H,36,37)(H,28,29,35)/t21-/m1/s1	424	Cc1cc2nc(C)nc(O)c2cc1CN(CC#C)c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c(F)c3	InChIKey=HJSKHBHZEYJWNS-OAQYLSRUSA-N
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2	425	C1Cc2[nH]c3ccccc3c2CN1	InChIKey=RPROHCOBMVQVIV-UHFFFAOYSA-N
InChI=1S/C17H18N4O2S/c1-12-10-11-17(19-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)	426	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(C)nn3	InChIKey=FMSIUEZKWYHEOF-UHFFFAOYSA-N
InChI=1S/C16H20N2OS2/c19-15-16(20-10-11-21-16)13-6-2-3-7-14(13)18(15)12-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-12H2	427	O=C1N(CN2CCCCC2)c3ccccc3C14SCCS4	InChIKey=HGFPADZQJSKMKO-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)	428	O=C1Nc2ccccc2C13OCCCO3	InChIKey=FPCFCMNSACXKRQ-UHFFFAOYSA-N
InChI=1S/C28H24N4O4/c1-3-15-32(17-19-9-14-24-23(16-19)27(34)30-18(2)29-24)22-12-10-21(11-13-22)26(33)31-25(28(35)36)20-7-5-4-6-8-20/h1,4-14,16,25H,15,17H2,2H3,(H,31,33)(H,35,36)(H,29,30,34)/t25-/m1/s1	429	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(=O)O)c4ccccc4)ccc2n1	InChIKey=AIVKSVVGOBYYHG-RUZDIDTESA-N
InChI=1S/C30H44O9/c1-16-27(34)22(32)12-25(38-16)39-19-6-8-28(2)18(11-19)4-5-21-20(28)7-9-29(3)26(17-10-24(33)36-14-17)23(37-15-31)13-30(21,29)35/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3/t16?,18?,19?,20?,21?,22?,23?,25?,26-,27?,28?,29?,30?/m0/s1	431	CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)[C@H](C(CC45O)OC=O)C6=CC(=O)OC6)C2	InChIKey=IOXIBFLACIBMNF-BPQZMAMGSA-N
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2	434	NCc1c[nH]c2ccccc12	InChIKey=JXYGLMATGAAIBU-UHFFFAOYSA-N
InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	435	COc1nc(Cl)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=ZEICTPGVQAZONR-UHFFFAOYSA-N
InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	436	COc1cc(CC(C)N)c(OC)cc1I	InChIKey=BGMZUEKZENQUJY-UHFFFAOYSA-N
InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3	437	CCC(Cc1ccc2OCOc2c1)NC	InChIKey=USWVWJSAJAEEHQ-UHFFFAOYSA-N
InChI=1S/C18H18I4O2/c1-3-11(9-5-13(19)17(23)14(20)6-9)12(4-2)10-7-15(21)18(24)16(22)8-10/h5-8,11-12,23-24H,3-4H2,1-2H3	439	CCC(C(CC)c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2	InChIKey=HOKKKDLMPLLHOL-UHFFFAOYSA-N
InChI=1S/C11H9BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,6,14H,4-5H2	440	Brc1cccc2[nH]c3C=NCCc3c12	InChIKey=FTDSATOEKTYHMK-UHFFFAOYSA-N
InChI=1S/C28H24N4O5/c1-3-13-32(16-18-7-12-24-23(14-18)27(35)30-17(2)29-24)21-10-8-19(9-11-21)26(34)31-25(28(36)37)20-5-4-6-22(33)15-20/h1,4-12,14-15,25,33H,13,16H2,2H3,(H,31,34)(H,36,37)(H,29,30,35)/t25-/m1/s1	441	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(=O)O)c4cccc(O)c4)ccc2n1	InChIKey=DMHLZHOVNVYDRY-RUZDIDTESA-N
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2	442	NCCc1c[nH]c2ccccc12	InChIKey=APJYDQYYACXCRM-UHFFFAOYSA-N
InChI=1S/C27H23ClN4O2/c1-3-14-32(17-20-6-13-25-24(15-20)27(34)31-18(2)30-25)23-11-7-21(8-12-23)26(33)29-16-19-4-9-22(28)10-5-19/h1,4-13,15H,14,16-17H2,2H3,(H,29,33)(H,30,31,34)	443	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccc(Cl)cc4)ccc2n1	InChIKey=IQCINSLNRQILLY-UHFFFAOYSA-N
InChI=1S/C15H14N2S2/c1-3-11-8-13-14(18-11)16-9-17-15(13)19-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3	444	CCc1cc2c(Sc3ccc(C)cc3)ncnc2s1	InChIKey=GXTORMHOCIKRJE-UHFFFAOYSA-N
InChI=1S/C15H14N2S2/c1-2-12-8-13-14(16-10-17-15(13)19-12)18-9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3	445	CCc1cc2c(SCc3ccccc3)ncnc2s1	InChIKey=LOBIIJMFTNGTJQ-UHFFFAOYSA-N
InChI=1S/C22H37N9O10/c23-8-15(33)28-11(3-1-5-26-22(24)25)18(37)27-9-16(34)29-12(7-17(35)36)19(38)30-13(10-32)20(39)31-6-2-4-14(31)21(40)41/h11-14,32H,1-10,23H2,(H,27,37)(H,28,33)(H,29,34)(H,30,38)(H,35,36)(H,40,41)(H4,24,25,26)/t11-,12-,13-,14-/m0/s1	446	NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O	InChIKey=NTEDOEBWPRVVSG-XUXIUFHCSA-N
InChI=1S/C38H66N8O7/c1-24(2)21-30(37(52)53)44-35(50)32(38(3,4)5)45-33(48)29(22-25-14-16-27(47)17-15-25)43-34(49)31-13-10-20-46(31)36(51)28(12-7-9-19-40)42-23-26(41)11-6-8-18-39/h14-17,24,26,28-32,42,47H,6-13,18-23,39-41H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t26-,28-,29-,30-,31+,32+/m0/s1	448	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O	InChIKey=GPDCLTFREWTNBN-ZCLHSLMCSA-N
InChI=1S/C40H67N9O6/c1-25(2)21-32(39(54)55)47-37(52)34(40(3,4)5)48-35(50)31(22-26-23-44-29-15-7-6-14-28(26)29)46-36(51)33-17-12-20-49(33)38(53)30(16-9-11-19-42)45-24-27(43)13-8-10-18-41/h6-7,14-15,23,25,27,30-34,44-45H,8-13,16-22,24,41-43H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t27-,30-,31-,32-,33+,34+/m0/s1	449	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O	InChIKey=CANBGLXQLKQPHM-RYNZSIQFSA-N
InChI=1S/C40H67N11O6/c1-24(2)20-31(38(56)57)49-36(54)33(40(3,4)5)50-34(52)30(21-25-22-46-28-14-7-6-13-27(25)28)48-35(53)32-16-11-19-51(32)37(55)29(15-8-9-17-41)47-23-26(42)12-10-18-45-39(43)44/h6-7,13-14,22,24,26,29-33,46-47H,8-12,15-21,23,41-42H2,1-5H3,(H,48,53)(H,49,54)(H,50,52)(H,56,57)(H4,43,44,45)/t26-,29-,30-,31-,32+,33+/m0/s1	450	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(=O)O	InChIKey=BDDQPVXNVCKAQG-UAKSOMLXSA-N
InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,7,14H,5-6H2,1H3	452	COc1cccc2c3CCN=Cc3[nH]c12	InChIKey=LIUNAKJFUYIJFE-UHFFFAOYSA-N
InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	453	COc1ccc2c3CCN=Cc3[nH]c2c1	InChIKey=VTEZDUSEJVSZGQ-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	454	COc1ccc2[nH]c3CNCCc3c2c1	InChIKey=QYMDEOQLJUUNOF-UHFFFAOYSA-N
InChI=1S/C22H20N4O4/c1-3-10-26(17-7-5-16(6-8-17)21(29)23-12-20(27)28)13-15-4-9-19-18(11-15)22(30)25-14(2)24-19/h1,4-9,11H,10,12-13H2,2H3,(H,23,29)(H,27,28)(H,24,25,30)	455	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCC(=O)O)ccc2n1	InChIKey=YTAQQYIGRJXMKY-UHFFFAOYSA-N
InChI=1S/C28H23N5O2/c1-3-13-33(18-22-7-12-26-25(15-22)28(35)32-19(2)31-26)24-10-8-23(9-11-24)27(34)30-17-21-6-4-5-20(14-21)16-29/h1,4-12,14-15H,13,17-18H2,2H3,(H,30,34)(H,31,32,35)	457	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cccc(c4)C#N)ccc2n1	InChIKey=SWZBDJQINXKZCI-UHFFFAOYSA-N
InChI=1S/C10H8BrNOS2/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	460	Brc1ccc2NC(=O)C3(SCCS3)c2c1	InChIKey=JGBSZUYUJKUZJU-UHFFFAOYSA-N
InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	461	Clc1ccc2NC(=O)C3(OCCS3)c2c1	InChIKey=WLGQOYSRXRIQBG-UHFFFAOYSA-N
InChI=1S/C28H24FN5O4/c1-4-10-33(16-20-13-24-26(11-17(20)2)31-18(3)32-28(24)36)21-8-9-23(25(29)14-21)27(35)30-15-19-6-5-7-22(12-19)34(37)38/h1,5-9,11-14H,10,15-16H2,2-3H3,(H,30,35)(H,31,32,36)	462	Cc1nc(O)c2cc(CN(CC#C)c3ccc(C(=O)NCc4cccc(c4)[N+](=O)[O-])c(F)c3)c(C)cc2n1	InChIKey=QDONLEJFIXLJSK-UHFFFAOYSA-N
InChI=1S/C10H10N2O5S.Na/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17;/h2-3,7-8H,5H2,1H3,(H,14,15);/q;+1/p-1/b3-2+;/t7-,8+,10+;/m1./s1	463	[Na+].C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-]	InChIKey=DRNHQKOSAXWVCX-LSTOSFGNSA-M
InChI=1S/C26H27FN4O4/c1-6-9-31(13-17-11-20-22(10-15(17)4)28-16(5)29-25(20)33)18-7-8-19(21(27)12-18)24(32)30-23(14(2)3)26(34)35/h1,7-8,10-12,14,23H,9,13H2,2-5H3,(H,30,32)(H,34,35)(H,28,29,33)/t23-/m1/s1	465	CC(C)[C@@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc2cc3c(O)nc(C)nc3cc2C)C(=O)O	InChIKey=LTQCSMIKXLRUAA-HSZRJFAPSA-N
InChI=1S/C11H8F3NO3/c12-11(13,14)7-3-1-2-6-8(7)15-9(16)10(6)17-4-5-18-10/h1-3H,4-5H2,(H,15,16)	467	FC(F)(F)c1cccc2c1NC(=O)C23OCCO3	InChIKey=NGQLDTGGXFTEMH-UHFFFAOYSA-N
InChI=1S/C29H44O8/c1-15-26(33)21(30)12-24(36-15)37-18-6-8-27(2)17(11-18)4-5-20-19(27)7-9-28(3)25(16-10-23(32)35-14-16)22(31)13-29(20,28)34/h10,15,17-22,24-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15?,17?,18?,19?,20?,21?,22?,24?,25-,26?,27?,28?,29?/m0/s1	468	CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)[C@H](C(O)CC45O)C6=CC(=O)OC6)C2	InChIKey=IQOYEMCASBGLJD-SOZWBQEVSA-N
InChI=1S/C35H54O11/c1-17-31(40)24(36)13-29(43-17)46-32-18(2)44-28(14-25(32)37)45-21-7-9-33(3)20(12-21)5-6-23-22(33)8-10-34(4)30(19-11-27(39)42-16-19)26(38)15-35(23,34)41/h11,17-18,20-26,28-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30-,31?,32?,33?,34?,35?/m0/s1	469	CC1OC(CC(O)C1O)OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC6(C)[C@H](C(O)CC56O)C7=CC(=O)OC7)C3)OC2C	InChIKey=XTHIXAGXFWPWQI-QGUSCSLFSA-N
InChI=1S/C11H15NO2/c1-7(12)5-9-3-4-10-11(8(9)2)14-6-13-10/h3-4,7H,5-6,12H2,1-2H3	470	CC(N)Cc1ccc2OCOc2c1C	InChIKey=WVACHJAKQMSYSU-UHFFFAOYSA-N
InChI=1S/C11H15NO2/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3,5,8H,4,6,12H2,1-2H3	471	CC(N)Cc1cc(C)c2OCOc2c1	InChIKey=OLENSVFSNAULML-UHFFFAOYSA-N
InChI=1S/C29H25N5O6/c1-3-14-33(17-20-6-13-25-24(15-20)28(36)31-18(2)30-25)22-11-7-21(8-12-22)27(35)32-26(29(37)38)16-19-4-9-23(10-5-19)34(39)40/h1,4-13,15,26H,14,16-17H2,2H3,(H,32,35)(H,37,38)(H,30,31,36)/t26-/m1/s1	474	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](Cc4ccc(cc4)[N+](=O)[O-])C(=O)O)ccc2n1	InChIKey=NXVYTJAGYKNPAB-AREMUKBSSA-N
InChI=1S/C23H21BrN4O3S/c1-28(2)19-12-6-11-18-17(19)10-7-13-20(18)32(29,30)27-22-23(26-21(24)14-25-22)31-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27)	475	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3OCc4ccccc4	InChIKey=DUCFPOXWJKCCBN-UHFFFAOYSA-N
InChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)	476	CCOc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=MLJGSVQFLSTLQF-UHFFFAOYSA-N
InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)	480	NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1	InChIKey=VIAAOSSEVPAHGM-UHFFFAOYSA-N
InChI=1S/C12H10N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-7,14H,1H3	481	COc1ccc2c(c1)[nH]c3cnccc23	InChIKey=LMDPJJFWLNRVEH-UHFFFAOYSA-N
InChI=1S/C19H27N5O4/c1-26-9-6-21-18(25)12-4-7-24(8-5-12)19-22-14-11-16(28-3)15(27-2)10-13(14)17(20)23-19/h10-12H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)	482	COCCNC(=O)C1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=KAZGBCGSYNNFKA-UHFFFAOYSA-N
InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)13-8-7-9-25(12-13)20-22-15-11-17(28-4)16(27-3)10-14(15)18(21)23-20/h10-11,13H,5-9,12H2,1-4H3,(H2,21,22,23)	483	CCN(CC)C(=O)C1CCCN(C1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=GQIQCCMFUWIPKY-UHFFFAOYSA-N
InChI=1S/C24H21N5O2S/c1-3-10-29(13-17-4-9-22-21(11-17)24(31)28-16(2)27-22)20-7-5-18(6-8-20)23(30)25-12-19-14-32-15-26-19/h1,4-9,11,14-15H,10,12-13H2,2H3,(H,25,30)(H,27,28,31)	487	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cscn4)ccc2n1	InChIKey=DYASCMVQIVJPKN-UHFFFAOYSA-N
InChI=1S/C25H22N4O2S/c1-3-11-29(15-18-4-9-23-22(13-18)25(31)28-17(2)27-23)21-7-5-20(6-8-21)24(30)26-14-19-10-12-32-16-19/h1,4-10,12-13,16H,11,14-15H2,2H3,(H,26,30)(H,27,28,31)	488	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccsc4)ccc2n1	InChIKey=MUWVVWNSKUNFLS-UHFFFAOYSA-N
InChI=1S/C22H33N5O3/c1-4-5-10-24-20(28)7-6-15-8-11-27(12-9-15)22-25-17-14-19(30-3)18(29-2)13-16(17)21(23)26-22/h13-15H,4-12H2,1-3H3,(H,24,28)(H2,23,25,26)	489	CCCCNC(=O)CCC1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=BZNYJSJXAYFYJP-UHFFFAOYSA-N
InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3	490	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3onc(C)c3C	InChIKey=MJRGSRRZKSJHOE-UHFFFAOYSA-N
InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-	491	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCN3CCCC3)cc2)\c4ccccc4	InChIKey=JJKOTMDDZAJTGQ-DQSJHHFOSA-N
InChI=1S/C31H36INO/c1-2-30(25-11-5-3-6-12-25)31(26-13-17-28(32)18-14-26)27-15-19-29(20-16-27)34-24-10-4-7-21-33-22-8-9-23-33/h3,5-6,11-20H,2,4,7-10,21-24H2,1H3/b31-30-	492	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=ALVRWLFAONYUAV-KTMFPKCZSA-N
InChI=1S/C36H46INO/c1-2-35(30-16-10-9-11-17-30)36(31-18-22-33(37)23-19-31)32-20-24-34(25-21-32)39-29-15-8-6-4-3-5-7-12-26-38-27-13-14-28-38/h9-11,16-25H,2-8,12-15,26-29H2,1H3/b36-35-	493	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=IYLYKNXTJDUBKA-KXYMVQBMSA-N
InChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3	494	COc1ccc(cc1)C2CN3CCN(C)CC3c4ccccc24	InChIKey=FEYVWLGBAFHKBN-UHFFFAOYSA-N
InChI=1S/C34H38N2O5S/c1-21-22(2)31-29(23(3)30(21)40-20-25-10-8-7-9-11-25)27(34(4,5)41-31)19-36(6)16-17-39-26-14-12-24(13-15-26)18-28-32(37)35-33(38)42-28/h7-15,18,27H,16-17,19-20H2,1-6H3,(H,35,37,38)/b28-18-	496	CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3c4c(C)c(OCc5ccccc5)c(C)c(C)c4OC3(C)C	InChIKey=DKTFEUJGLCUSHM-VEILYXNESA-N
InChI=1S/C16H16N4O2S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)23(21,22)19-16-11-17-9-10-18-16/h3-11H,1-2H3,(H,18,19)	498	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnccn3	InChIKey=NRLWXFWPCBEKRI-UHFFFAOYSA-N
InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	499	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Cl)cn3	InChIKey=RSBSFRHJBBDZEW-UHFFFAOYSA-N
InChI=1S/C18H17BrN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3	500	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Br)cc3	InChIKey=RROBKFJDPRVGFW-UHFFFAOYSA-N
InChI=1S/C25H26N2/c1-3-9-20(10-4-1)17-26-15-16-27-18-24(21-11-5-2-6-12-21)22-13-7-8-14-23(22)25(27)19-26/h1-14,24-25H,15-19H2	501	C(N1CCN2CC(c3ccccc3)c4ccccc4C2C1)c5ccccc5	InChIKey=GYLOKBQKBMWTMJ-UHFFFAOYSA-N
InChI=1S/C19H20N4O4/c1-20-8-9-21-11-18(13-2-4-14(5-3-13)22(24)25)16-7-6-15(23(26)27)10-17(16)19(21)12-20/h2-7,10,18-19H,8-9,11-12H2,1H3	502	CN1CCN2CC(c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4C2C1)[N+](=O)[O-]	InChIKey=DUFIOWBGBIHQPW-UHFFFAOYSA-N
InChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3	503	CN1CCN2CC(c3ccc(Cl)cc3)c4ccccc4C2C1	InChIKey=ZCOWQICYITYASE-UHFFFAOYSA-N
InChI=1S/C19H21N3O2/c1-20-10-11-21-12-18(14-6-8-15(9-7-14)22(23)24)16-4-2-3-5-17(16)19(21)13-20/h2-9,18-19H,10-13H2,1H3	504	CN1CCN2CC(c3ccc(cc3)[N+](=O)[O-])c4ccccc4C2C1	InChIKey=VDORHOJHUKJKQH-UHFFFAOYSA-N
InChI=1S/C18H18BrN3O2S/c1-12-15(19)10-11-18(20-12)21-25(23,24)17-9-5-6-13-14(17)7-4-8-16(13)22(2)3/h4-11H,1-3H3,(H,20,21)	505	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Br)c(C)n3	InChIKey=QBKBVEQZXPNGQC-UHFFFAOYSA-N
InChI=1S/C13H9F3N6S/c14-13(15,16)6-2-1-3-7(4-6)23-8-5-19-11-9(20-8)10(17)21-12(18)22-11/h1-5H,(H4,17,18,19,21,22)	506	Nc1nc(N)c2nc(Sc3cccc(c3)C(F)(F)F)cnc2n1	InChIKey=UAGXWFORTDNXOY-UHFFFAOYSA-N
InChI=1S/C29H32INO/c1-2-28(23-9-4-3-5-10-23)29(24-11-15-26(30)16-12-24)25-13-17-27(18-14-25)32-22-8-21-31-19-6-7-20-31/h3-5,9-18H,2,6-8,19-22H2,1H3/b29-28-	507	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=FXONXUZYNJRDKV-ZIADKAODSA-N
InChI=1S/C19H21BrN4O2S/c1-4-7-15-19(21-12-18(20)22-15)23-27(25,26)17-11-6-8-13-14(17)9-5-10-16(13)24(2)3/h5-6,8-12H,4,7H2,1-3H3,(H,21,23)	508	CCCc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=UFYIWIPURPZWFN-UHFFFAOYSA-N
InChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	509	COc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=JDNYZAWNISHXJL-UHFFFAOYSA-N
InChI=1S/C11H15NO2/c1-7-3-10-11(14-6-13-10)5-9(7)4-8(2)12/h3,5,8H,4,6,12H2,1-2H3	510	CC(N)Cc1cc2OCOc2cc1C	InChIKey=HCFHWXDIZOAUTQ-UHFFFAOYSA-N
InChI=1S/C9H12IN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3	511	CC(N)Cc1ccc(I)cc1	InChIKey=VZPKOWYCGWOYRF-UHFFFAOYSA-N
InChI=1S/C22H25N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)27-10-8-14(9-11-27)21(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H2,23,25,26)	512	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)Nc4ccccc4	InChIKey=PCVSJPFAMWAPAT-UHFFFAOYSA-N
InChI=1S/C24H29N5O3/c1-28(15-16-7-5-4-6-8-16)23(30)17-9-11-29(12-10-17)24-26-19-14-21(32-3)20(31-2)13-18(19)22(25)27-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,25,26,27)	513	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)N(C)Cc4ccccc4	InChIKey=QFKHLIKSSNGTQO-UHFFFAOYSA-N
InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3	514	CN1CCN2CC(c3ccccc3)c4ccccc4C2C1	InChIKey=JWDCLQHNIUCQJT-UHFFFAOYSA-N
InChI=1S/C21H26N2/c1-2-12-22-13-14-23-15-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21(23)16-22/h3-11,20-21H,2,12-16H2,1H3	515	CCCN1CCN2CC(c3ccccc3)c4ccccc4C2C1	InChIKey=ROSKSLIDABRGDY-UHFFFAOYSA-N
InChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)	516	CCc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C	InChIKey=AXNXKWXEPIXRQC-UHFFFAOYSA-N
InChI=1S/C21H29N5O3/c1-28-17-10-15-16(11-18(17)29-2)24-21(25-20(15)22)26-7-5-13(6-8-26)9-19(27)23-12-14-3-4-14/h10-11,13-14H,3-9,12H2,1-2H3,(H,23,27)(H2,22,24,25)	517	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC(=O)NCC4CC4)CC3	InChIKey=OHRDRIOXKSBXGK-UHFFFAOYSA-N
InChI=1S/C12H17N/c1-9(13)7-10-5-6-11-3-2-4-12(11)8-10/h5-6,8-9H,2-4,7,13H2,1H3	518	CC(N)Cc1ccc2CCCc2c1	InChIKey=QYVNZHBQYJRLEX-UHFFFAOYSA-N
InChI=1S/C18H20I2O2/c1-3-14(11-5-7-13(21)8-6-11)15(4-2)12-9-16(19)18(22)17(20)10-12/h5-10,14-15,21-22H,3-4H2,1-2H3	519	CCC(C(CC)c1cc(I)c(O)c(I)c1)c2ccc(O)cc2	InChIKey=XSNGJBZHZLOGBN-UHFFFAOYSA-N
InChI=1S/C18H21BrO2/c1-3-15(12-5-8-14(20)9-6-12)16(4-2)13-7-10-18(21)17(19)11-13/h5-11,15-16,20-21H,3-4H2,1-2H3	520	CCC(C(CC)c1ccc(O)c(Br)c1)c2ccc(O)cc2	InChIKey=RLDATGZVIQOGNJ-UHFFFAOYSA-N
InChI=1S/C33H40INO/c1-2-32(27-13-7-6-8-14-27)33(28-15-19-30(34)20-16-28)29-17-21-31(22-18-29)36-26-12-5-3-4-9-23-35-24-10-11-25-35/h6-8,13-22H,2-5,9-12,23-26H2,1H3/b33-32-	521	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=XCOUYJYBUSTRSB-KARKAFJISA-N
InChI=1S/C23H22N4O4/c1-4-11-27(13-16-5-10-20-19(12-16)22(29)26-15(3)25-20)18-8-6-17(7-9-18)21(28)24-14(2)23(30)31/h1,5-10,12,14H,11,13H2,2-3H3,(H,24,28)(H,30,31)(H,25,26,29)/t14-/m1/s1	522	C[C@@H](NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2)C(=O)O	InChIKey=FQLFUTSFWGAXHE-CQSZACIVSA-N
InChI=1S/C25H26N4O4/c1-4-6-22(25(32)33)28-23(30)18-8-10-19(11-9-18)29(13-5-2)15-17-7-12-21-20(14-17)24(31)27-16(3)26-21/h2,7-12,14,22H,4,6,13,15H2,1,3H3,(H,28,30)(H,32,33)(H,26,27,31)/t22-/m1/s1	523	CCC[C@@H](NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2)C(=O)O	InChIKey=GPDKHMRCUGYLOD-JOCHJYFZSA-N
InChI=1S/C21H31N5O3/c1-4-5-8-23-19(27)11-14-6-9-26(10-7-14)21-24-16-13-18(29-3)17(28-2)12-15(16)20(22)25-21/h12-14H,4-11H2,1-3H3,(H,23,27)(H2,22,24,25)	524	CCCCNC(=O)CC1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=WHHCTUBWMPZDGY-UHFFFAOYSA-N
InChI=1S/C17H16IN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	525	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(I)cn3	InChIKey=AVIZINDXBJTFCL-UHFFFAOYSA-N
InChI=1S/C18H20Br2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3	526	CCC(C(CC)c1ccc(O)c(Br)c1)c2ccc(O)c(Br)c2	InChIKey=NXTVRZYDIKGZQK-UHFFFAOYSA-N
InChI=1S/C13H17N5O2/c1-13(2)11(19)10(18-12(15-3)17-7-14)8-6-16-5-4-9(8)20-13/h4-6,10-11,19H,1-3H3,(H2,15,17,18)/t10?,11-/m0/s1	527	C\N=C(\NC#N)/NC1[C@H](O)C(C)(C)Oc2ccncc12	InChIKey=BJBXBNSEMMITOP-DTIOYNMSSA-N
InChI=1S/C35H44INO/c1-2-34(29-15-9-8-10-16-29)35(30-17-21-32(36)22-18-30)31-19-23-33(24-20-31)38-28-14-7-5-3-4-6-11-25-37-26-12-13-27-37/h8-10,15-24H,2-7,11-14,25-28H2,1H3/b35-34-	528	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=MCTQXSSLZDBVEP-KNWKATPGSA-N
InChI=1S/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3/t15?,16?,17?,18?,19?,21-,22?,23?,24?/m0/s1	529	CC12CCC(O)CC1CCC3C2CCC4(C)[C@H](C(CC34O)OC=O)C5=CC(=O)OC5	InChIKey=WPPUBSWJDJKYDK-BIIWZAKESA-N
InChI=1S/C16H21N5O3/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20)	530	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)N	InChIKey=WFUALLHRWGCZOH-UHFFFAOYSA-N
InChI=1S/C30H36INO/c1-4-29(24-12-8-7-9-13-24)30(25-14-18-27(31)19-15-25)26-16-20-28(21-17-26)33-23-11-6-5-10-22-32(2)3/h7-9,12-21H,4-6,10-11,22-23H2,1-3H3/b30-29-	531	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCN(C)C)cc2)\c3ccccc3	InChIKey=KJNDGYWAQRWMBO-FLWNBWAVSA-N
InChI=1S/C30H34INO/c1-2-29(24-10-4-3-5-11-24)30(25-12-16-27(31)17-13-25)26-14-18-28(19-15-26)33-23-9-8-22-32-20-6-7-21-32/h3-5,10-19H,2,6-9,20-23H2,1H3/b30-29-	532	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=BKCCUUCEIIWZGH-FLWNBWAVSA-N
InChI=1S/C14H19N5O4S/c1-14(2)12(20)11(18-13(17-3)19-24(16,21)22)9-6-8(7-15)4-5-10(9)23-14/h4-6,11-12,20H,1-3H3,(H2,16,21,22)(H2,17,18,19)/t11?,12-/m0/s1	533	C\N=C(/NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N)\NS(=O)(=O)N	InChIKey=IIHOTYSFXJVMKX-KIYNQFGBSA-N
InChI=1S/C27H29FN4O4/c1-7-10-32(14-17-12-20-22(11-15(17)2)29-16(3)30-25(20)34)18-8-9-19(21(28)13-18)24(33)31-23(26(35)36)27(4,5)6/h1,8-9,11-13,23H,10,14H2,2-6H3,(H,31,33)(H,35,36)(H,29,30,34)/t23-/m0/s1	534	Cc1nc(O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)c(F)c3)c(C)cc2n1	InChIKey=ZNACQPHZLGKJEZ-QHCPKHFHSA-N
InChI=1S/C34H42INO/c1-2-33(28-14-8-7-9-15-28)34(29-16-20-31(35)21-17-29)30-18-22-32(23-19-30)37-27-13-6-4-3-5-10-24-36-25-11-12-26-36/h7-9,14-23H,2-6,10-13,24-27H2,1H3/b34-33-	535	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=BFXFDLMTMKFDSG-YHZPTAEISA-N
InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	536	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Br)cn3	InChIKey=CLEFKCFLXWSUFJ-UHFFFAOYSA-N
InChI=1S/C10H8INO3/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	538	Ic1ccc2NC(=O)C3(OCCO3)c2c1	InChIKey=HMOVFDKERCMKBY-UHFFFAOYSA-N
InChI=1S/C10H8ClNO3/c11-6-1-2-7-8(5-6)12-9(13)10(7)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	539	Clc1ccc2c(NC(=O)C23OCCO3)c1	InChIKey=YCDDXFPXDYDSEO-UHFFFAOYSA-N
InChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)	540	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3C	InChIKey=WONYSUAAXSMWMV-UHFFFAOYSA-N
InChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-10-5-11-17-18-16/h3-11H,1-2H3,(H,18,19)	542	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cccnn3	InChIKey=QPMFEHASVUOAHW-UHFFFAOYSA-N
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3	543	CC(N)Cc1ccccc1	InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N
InChI=1S/C32H38INO/c1-2-31(26-12-6-5-7-13-26)32(27-14-18-29(33)19-15-27)28-16-20-30(21-17-28)35-25-11-4-3-8-22-34-23-9-10-24-34/h5-7,12-21H,2-4,8-11,22-25H2,1H3/b32-31-	544	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCN3CCCC3)cc2)\c4ccccc4	InChIKey=VGVQYQRJRNGUNU-MVJHLKBCSA-N
InChI=1S/C26H28N2/c1-3-9-21(10-4-1)15-16-27-17-18-28-19-25(22-11-5-2-6-12-22)23-13-7-8-14-24(23)26(28)20-27/h1-14,25-26H,15-20H2	545	C(Cc1ccccc1)N2CCN3CC(c4ccccc4)c5ccccc5C3C2	InChIKey=ZTNUFLBDJULOLU-UHFFFAOYSA-N
InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)13-7-9-25(10-8-13)20-22-15-12-17(28-4)16(27-3)11-14(15)18(21)23-20/h11-13H,5-10H2,1-4H3,(H2,21,22,23)	546	CCN(CC)C(=O)C1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=MNNCQPMAZRRFNS-UHFFFAOYSA-N
InChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-18(22-16(12)19)23-6-3-11(4-7-23)17(25)20-5-8-24/h9-11,24H,3-8H2,1-2H3,(H,20,25)(H2,19,21,22)	547	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NCCO	InChIKey=DSZDMTCWVSGILQ-UHFFFAOYSA-N
InChI=1S/C27H34N2O5S/c1-16-17(2)24-21(18(3)23(16)30)10-11-27(4,34-24)15-29(5)12-13-33-20-8-6-19(7-9-20)14-22-25(31)28-26(32)35-22/h6-9,22,30H,10-15H2,1-5H3,(H,28,31,32)	548	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3	InChIKey=PUZNPKYWTAXHCD-UHFFFAOYSA-N
InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)	549	OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O	InChIKey=ODKNJVUHOIMIIZ-UHFFFAOYSA-N
InChI=1S/C11H14N4O6S.Na/c1-11(5-14-3-2-12-13-14)7(10(18)19)15-8(17)6(4-16)9(15)22(11,20)21;/h2-3,6-7,9,16H,4-5H2,1H3,(H,18,19);/q;+1/p-1/t6-,7+,9-,11+;/m1./s1	551	[Na+].C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H]([C@H](CO)C3=O)S1(=O)=O)C(=O)[O-]	InChIKey=QBBWHSLAOSOQME-ZYEZBUCFSA-M
InChI=1S/C29H44O9/c1-14-23(32)24(33)25(26(34)37-14)38-17-6-8-27(2)16(11-17)4-5-19-18(27)7-9-28(3)22(15-10-21(31)36-13-15)20(30)12-29(19,28)35/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14?,16?,17?,18?,19?,20?,22-,23?,24?,25?,26?,27?,28?,29?/m0/s1	552	CC1OC(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)[C@H](C(O)CC45O)C6=CC(=O)OC6)C2)C(O)C1O	InChIKey=NUUINLSKUZVKSQ-NZRIKBTBSA-N
InChI=1S/C24H32N2/c1-2-3-4-10-15-25-16-17-26-18-23(20-11-6-5-7-12-20)21-13-8-9-14-22(21)24(26)19-25/h5-9,11-14,23-24H,2-4,10,15-19H2,1H3	553	CCCCCCN1CCN2CC(c3ccccc3)c4ccccc4C2C1	InChIKey=IXWSQWDWBZOAFH-UHFFFAOYSA-N
InChI=1S/C24H29N5O4/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-11-8-16(9-12-29)23(30)26-10-13-33-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	554	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NCCOc4ccccc4	InChIKey=ATQZMUKEGFGGSL-UHFFFAOYSA-N
InChI=1S/C25H26N4O4/c1-5-12-29(14-17-6-11-21-20(13-17)24(31)27-16(4)26-21)19-9-7-18(8-10-19)23(30)28-22(15(2)3)25(32)33/h1,6-11,13,15,22H,12,14H2,2-4H3,(H,28,30)(H,32,33)(H,26,27,31)/t22-/m1/s1	555	CC(C)[C@@H](NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2)C(=O)O	InChIKey=AXUMAJPONGIXCH-JOCHJYFZSA-N
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1	556	[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-]	InChIKey=MOYKHGMNXAOIAT-JGWLITMVSA-N
InChI=1S/C11H12N2O6S.Na/c1-11(3-2-4-12)7(10(16)17)13-8(15)6(5-14)9(13)20(11,18)19;/h2-3,6-7,9,14H,5H2,1H3,(H,16,17);/q;+1/p-1/b3-2-;/t6-,7+,9-,11+;/m1./s1	558	[Na+].C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(=O)[O-]	InChIKey=QXEYKECJAQHXEF-FCHKYLNPSA-M
InChI=1S/C11H12N2O6S.Na/c1-11(3-2-4-12)7(10(16)17)13-8(15)6(5-14)9(13)20(11,18)19;/h2-3,6-7,9,14H,5H2,1H3,(H,16,17);/q;+1/p-1/b3-2+;/t6-,7+,9-,11+;/m1./s1	559	[Na+].C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(=O)[O-]	InChIKey=QXEYKECJAQHXEF-KLZLNBGNSA-M
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14?,15-/m0/s1	560	CC1(C)Oc2ccc(cc2C([C@@H]1O)N3CCCC3=O)C#N	InChIKey=TVZCRIROJQEVOT-LOACHALJSA-N
InChI=1S/C26H28INO/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(27)15-11-21)22-12-16-24(17-13-22)29-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3/b26-25-	561	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3	InChIKey=BSZGETWFQDIDDX-QPLCGJKRSA-N
InChI=1S/C26H28N4O4/c1-6-13-30(15-17-7-12-21-20(14-17)24(32)28-16(2)27-21)19-10-8-18(9-11-19)23(31)29-22(25(33)34)26(3,4)5/h1,7-12,14,22H,13,15H2,2-5H3,(H,29,31)(H,33,34)(H,27,28,32)/t22-/m0/s1	562	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(=O)O)C(C)(C)C)ccc2n1	InChIKey=UFOIJGKLFSBQOT-QFIPXVFZSA-N
InChI=1S/C18H25N5O3/c1-4-20-17(24)11-5-7-23(8-6-11)18-21-13-10-15(26-3)14(25-2)9-12(13)16(19)22-18/h9-11H,4-8H2,1-3H3,(H,20,24)(H2,19,21,22)	563	CCNC(=O)C1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=MODVCXIGZGVMRV-UHFFFAOYSA-N
InChI=1S/C34H44INO/c1-4-33(28-16-12-11-13-17-28)34(29-18-22-31(35)23-19-29)30-20-24-32(25-21-30)37-27-15-10-8-6-5-7-9-14-26-36(2)3/h11-13,16-25H,4-10,14-15,26-27H2,1-3H3/b34-33-	564	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCCCCN(C)C)cc2)\c3ccccc3	InChIKey=ZMFZXGZXFYMIPX-YHZPTAEISA-N
InChI=1S/C18H23N5O2/c1-17(2,3)23-16(21-10-20)22-14-12-8-11(9-19)6-7-13(12)25-18(4,5)15(14)24/h6-8,14-15,24H,1-5H3,(H2,21,22,23)/t14?,15-/m0/s1	565	CC(C)(C)\N=C(\NC#N)/NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N	InChIKey=GEDPJQDUEVVSTM-LOACHALJSA-N
InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)	566	CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3OC	InChIKey=LTBGGVYTZUDEIJ-UHFFFAOYSA-N
InChI=1S/C28H32INO/c1-4-27(22-10-6-5-7-11-22)28(23-12-16-25(29)17-13-23)24-14-18-26(19-15-24)31-21-9-8-20-30(2)3/h5-7,10-19H,4,8-9,20-21H2,1-3H3/b28-27-	567	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCN(C)C)cc2)\c3ccccc3	InChIKey=ZQKGNQXYRKJVBC-DQSJHHFOSA-N
InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3	568	CNCC1NCC(c2ccccc2)c3ccccc13	InChIKey=UYHHYORUPUOBTL-UHFFFAOYSA-N
InChI=1S/C25H25N5O5/c1-3-12-30(14-16-4-9-20-19(13-16)24(33)28-15(2)27-20)18-7-5-17(6-8-18)23(32)29-21(25(34)35)10-11-22(26)31/h1,4-9,13,21H,10-12,14H2,2H3,(H2,26,31)(H,29,32)(H,34,35)(H,27,28,33)/t21-/m1/s1	569	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](CCC(=O)N)C(=O)O)ccc2n1	InChIKey=HPQJXRRPLVSADL-OAQYLSRUSA-N
InChI=1S/C32H40INO/c1-4-31(26-14-10-9-11-15-26)32(27-16-20-29(33)21-17-27)28-18-22-30(23-19-28)35-25-13-8-6-5-7-12-24-34(2)3/h9-11,14-23H,4-8,12-13,24-25H2,1-3H3/b32-31-	570	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCCCCN(C)C)cc2)\c3ccccc3	InChIKey=XKHNGFDZRPJTCY-MVJHLKBCSA-N
InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)	571	CCNc1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)nc3OC	InChIKey=YDPOXHCJDBMWLW-UHFFFAOYSA-N
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3	573	CN1CCN2C(C1)c3ccccc3Cc4ccccc24	InChIKey=UEQUQVLFIPOEMF-UHFFFAOYSA-N
InChI=1S/C26H30N2O5S/c1-15-16(2)23-20(17(3)22(15)29)9-10-26(4,33-23)14-27-11-12-32-19-7-5-18(6-8-19)13-21-24(30)28-25(31)34-21/h5-8,13,27,29H,9-12,14H2,1-4H3,(H,28,30,31)/b21-13-	574	Cc1c(C)c2OC(C)(CNCCOc3ccc(\C=C\4/SC(=O)NC4=O)cc3)CCc2c(C)c1O	InChIKey=REZLHJHWHCIPJL-BKUYFWCQSA-N
InChI=1S/C19H24N2/c1-20(2)14-19-17-12-8-7-11-16(17)18(13-21(19)3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3	575	CN(C)CC1N(C)CC(c2ccccc2)c3ccccc13	InChIKey=RJXXPJSDBLRNBL-UHFFFAOYSA-N
InChI=1S/C25H34O7/c1-23-7-5-17(31-13-26)10-16(23)3-4-19-18(23)6-8-24(2)22(15-9-21(28)30-12-15)20(32-14-27)11-25(19,24)29/h9,13-14,16-20,22,29H,3-8,10-12H2,1-2H3/t16?,17?,18?,19?,20?,22-,23?,24?,25?/m0/s1	576	CC12CCC(CC1CCC3C2CCC4(C)[C@H](C(CC34O)OC=O)C5=CC(=O)OC5)OC=O	InChIKey=AISBGAJDNGFBRL-SJJSKVOPSA-N
InChI=1S/C10H14N2O7S.Na/c1-10(4-11-19-2)6(9(15)16)12-7(14)5(3-13)8(12)20(10,17)18;/h4-6,8,13H,3H2,1-2H3,(H,15,16);/q;+1/p-1/b11-4+;/t5-,6+,8-,10+;/m1./s1	577	[Na+].CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(=O)[O-]	InChIKey=RRLPWVAOADJVLF-UEDLQCFHSA-M
InChI=1S/C27H23N5O4/c1-3-14-31(17-20-6-13-25-24(15-20)27(34)30-18(2)29-25)22-11-7-21(8-12-22)26(33)28-16-19-4-9-23(10-5-19)32(35)36/h1,4-13,15H,14,16-17H2,2H3,(H,28,33)(H,29,30,34)	578	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccc(cc4)[N+](=O)[O-])ccc2n1	InChIKey=HQJUFCWQIUMOLK-UHFFFAOYSA-N
InChI=1S/C27H32N2O5S/c1-16-17(2)24-21(18(3)23(16)30)10-11-27(4,34-24)15-29(5)12-13-33-20-8-6-19(7-9-20)14-22-25(31)28-26(32)35-22/h6-9,14,30H,10-13,15H2,1-5H3,(H,28,31,32)/b22-14-	579	CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3	InChIKey=KMNLASVDSCDDGU-HMAPJEAMSA-N
InChI=1S/C20H27N5O3/c1-27-16-9-14-15(10-17(16)28-2)23-20(24-18(14)21)25-7-5-13(6-8-25)19(26)22-11-12-3-4-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,26)(H2,21,23,24)	580	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NCC4CC4	InChIKey=TYWLNFZVOUERJE-UHFFFAOYSA-N
InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-6-9-25(10-7-13)20-23-15-12-17(28-3)16(27-2)11-14(15)18(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	581	CCCCNC(=O)C1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=LEPYKPPBAQMWDW-UHFFFAOYSA-N
InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-7-6-9-25(12-13)20-23-15-11-17(28-3)16(27-2)10-14(15)18(21)24-20/h10-11,13H,4-9,12H2,1-3H3,(H,22,26)(H2,21,23,24)	582	CCCCNC(=O)C1CCCN(C1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=CPRGRMGKDLRVLL-UHFFFAOYSA-N
InChI=1S/C15H18N4O4/c1-15(2)14(20)13(18-12(17-3)8-19(21)22)10-6-9(7-16)4-5-11(10)23-15/h4-6,8,13-14,17-18,20H,1-3H3/b12-8+/t13?,14-/m0/s1	583	CN\C(=C/[N+](=O)[O-])\NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N	InChIKey=LBBMYEIOARPKTO-YQZSZTOTSA-N
InChI=1S/C25H23N5O2S/c1-4-11-30(14-18-5-10-22-21(12-18)25(32)29-17(3)28-22)20-8-6-19(7-9-20)24(31)26-13-23-27-16(2)15-33-23/h1,5-10,12,15H,11,13-14H2,2-3H3,(H,26,31)(H,28,29,32)	584	Cc1csc(CNC(=O)c2ccc(cc2)N(CC#C)Cc3ccc4nc(C)nc(O)c4c3)n1	InChIKey=UCKDGEFFRUDLGD-UHFFFAOYSA-N
InChI=1S/C21H29N5O3/c1-28-17-11-15-16(12-18(17)29-2)24-21(25-19(15)22)26-9-7-13(8-10-26)20(27)23-14-5-3-4-6-14/h11-14H,3-10H2,1-2H3,(H,23,27)(H2,22,24,25)	586	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NC4CCCC4	InChIKey=LKQKVFUSTOHWES-UHFFFAOYSA-N
InChI=1S/C16H15ClN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)	587	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Cl)cn3	InChIKey=KLFNCMDJCYONOH-UHFFFAOYSA-N
InChI=1S/C18H19N3O2S/c1-13-10-11-18(19-12-13)20-24(22,23)17-9-5-6-14-15(17)7-4-8-16(14)21(2)3/h4-12H,1-3H3,(H,19,20)	589	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(C)cn3	InChIKey=YDPDSONKGZIZJX-UHFFFAOYSA-N
InChI=1S/C14H15N5O2/c1-14(2)12(20)11(19-13(17)18-7-16)9-5-8(6-15)3-4-10(9)21-14/h3-5,11-12,20H,1-2H3,(H3,17,18,19)/t11?,12-/m0/s1	590	CC1(C)Oc2ccc(cc2C(\N=C(\N)/NC#N)[C@@H]1O)C#N	InChIKey=KTWWUKLYXUDVNA-KIYNQFGBSA-N
InChI=1S/C16H20N2O3/c19-15-16(20-10-11-21-16)13-6-2-3-7-14(13)18(15)12-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-12H2	591	O=C1N(CN2CCCCC2)c3ccccc3C14OCCO4	InChIKey=PAUZVVZUXSKEAM-UHFFFAOYSA-N
InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3	592	CC(N)Cc1ccc2OCOc2c1	InChIKey=NGBBVGZWCFBOGO-UHFFFAOYSA-N
InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)	594	OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O	InChIKey=XQFRJNBWHJMXHO-UHFFFAOYSA-N
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)	595	CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O	InChIKey=IQFYYKKMVGJFEH-UHFFFAOYSA-N
InChI=1S/C12H8Cl2N6S/c13-6-2-1-5(3-7(6)14)21-8-4-17-11-9(18-8)10(15)19-12(16)20-11/h1-4H,(H4,15,16,17,19,20)	596	Nc1nc(N)c2nc(Sc3ccc(Cl)c(Cl)c3)cnc2n1	InChIKey=CWVKQVHFVAOIIB-UHFFFAOYSA-N
InChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)	597	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncccn3	InChIKey=MSQQFEVXXADDJG-UHFFFAOYSA-N
InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m1/s1	598	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2n1	InChIKey=PMTUUSDTAKQWQJ-OAQYLSRUSA-N
InChI=1S/C17H17N3O2S/c1-20(2)15-9-5-8-14-13(15)7-6-10-16(14)23(21,22)19-17-11-3-4-12-18-17/h3-12H,1-2H3,(H,18,19)	599	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccccn3	InChIKey=QTTGUFALNOXXDZ-UHFFFAOYSA-N
InChI=1S/C29H34INO/c1-4-28(23-11-7-5-8-12-23)29(24-13-17-26(30)18-14-24)25-15-19-27(20-16-25)32-22-10-6-9-21-31(2)3/h5,7-8,11-20H,4,6,9-10,21-22H2,1-3H3/b29-28-	600	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCCCN(C)C)cc2)\c3ccccc3	InChIKey=KILJJPMNQOHZIY-ZIADKAODSA-N
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	601	CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34	InChIKey=VAYOSLLFUXYJDT-RDTXWAMCSA-N
InChI=1S/C29H26N4O4/c1-3-15-33(18-21-9-14-25-24(16-21)28(35)31-19(2)30-25)23-12-10-22(11-13-23)27(34)32-26(29(36)37)17-20-7-5-4-6-8-20/h1,4-14,16,26H,15,17-18H2,2H3,(H,32,34)(H,36,37)(H,30,31,35)/t26-/m1/s1	602	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](Cc4ccccc4)C(=O)O)ccc2n1	InChIKey=JSGCIQKUQXHVMG-AREMUKBSSA-N
InChI=1S/C29H24FN5O6/c1-4-10-34(15-19-13-23-25(11-16(19)2)31-17(3)32-28(23)37)20-8-9-22(24(30)14-20)27(36)33-26(29(38)39)18-6-5-7-21(12-18)35(40)41/h1,5-9,11-14,26H,10,15H2,2-3H3,(H,33,36)(H,38,39)(H,31,32,37)/t26-/m1/s1	603	Cc1cc2nc(C)nc(O)c2cc1CN(CC#C)c3ccc(C(=O)N[C@@H](C(=O)O)c4cccc(c4)[N+](=O)[O-])c(F)c3	InChIKey=RHVARXUYIFCWPP-AREMUKBSSA-N
InChI=1S/C13H12N6OS/c1-20-7-2-4-8(5-3-7)21-9-6-16-12-10(17-9)11(14)18-13(15)19-12/h2-6H,1H3,(H4,14,15,16,18,19)	604	COc1ccc(Sc2cnc3nc(N)nc(N)c3n2)cc1	InChIKey=JGFCVHSDXCZJCY-UHFFFAOYSA-N
InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	605	CN(C)CCCN1c2ccccc2CCc3ccccc13	InChIKey=BCGWQEUPMDMJNV-UHFFFAOYSA-N
InChI=1S/C24H21N5O2S/c1-3-10-29(14-17-4-9-22-21(11-17)24(31)28-16(2)27-22)19-7-5-18(6-8-19)23(30)26-13-20-12-25-15-32-20/h1,4-9,11-12,15H,10,13-14H2,2H3,(H,26,30)(H,27,28,31)	606	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cncs4)ccc2n1	InChIKey=SDWQCVOVOXFKRU-UHFFFAOYSA-N
InChI=1S/C21H31N5O4/c1-4-5-8-23-19(27)13-30-14-6-9-26(10-7-14)21-24-16-12-18(29-3)17(28-2)11-15(16)20(22)25-21/h11-12,14H,4-10,13H2,1-3H3,(H,23,27)(H2,22,24,25)	607	CCCCNC(=O)COC1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=MHRLOVDUZWERLA-UHFFFAOYSA-N
InChI=1S/C22H28N2/c1-2-3-13-23-14-15-24-16-21(18-9-5-4-6-10-18)19-11-7-8-12-20(19)22(24)17-23/h4-12,21-22H,2-3,13-17H2,1H3	608	CCCCN1CCN2CC(c3ccccc3)c4ccccc4C2C1	InChIKey=BKFAIRPZGSVHAL-UHFFFAOYSA-N
InChI=1S/C18H22N2/c1-20(2)13-18-16-11-7-6-10-15(16)17(12-19-18)14-8-4-3-5-9-14/h3-11,17-19H,12-13H2,1-2H3	609	CN(C)CC1NCC(c2ccccc2)c3ccccc13	InChIKey=KEUSBNOLUMCSQJ-UHFFFAOYSA-N
InChI=1S/C18H22N2/c1-2-19-13-18-16-11-7-6-10-15(16)17(12-20-18)14-8-4-3-5-9-14/h3-11,17-20H,2,12-13H2,1H3	610	CCNCC1NCC(c2ccccc2)c3ccccc13	InChIKey=HSNLDJSGPCJLBB-UHFFFAOYSA-N
InChI=1S/C25H22N4O3/c1-3-11-29(15-18-4-9-23-22(13-18)25(31)28-17(2)27-23)21-7-5-20(6-8-21)24(30)26-14-19-10-12-32-16-19/h1,4-10,12-13,16H,11,14-15H2,2H3,(H,26,30)(H,27,28,31)	611	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cocc4)ccc2n1	InChIKey=SJCOVOXWSZPSOJ-UHFFFAOYSA-N
InChI=1S/C25H22N4O3/c1-3-12-29(16-18-6-11-23-22(14-18)25(31)28-17(2)27-23)20-9-7-19(8-10-20)24(30)26-15-21-5-4-13-32-21/h1,4-11,13-14H,12,15-16H2,2H3,(H,26,30)(H,27,28,31)	612	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4occc4)ccc2n1	InChIKey=XZBRZMRLJNBGKE-UHFFFAOYSA-N
InChI=1S/C10H9NO3/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)	613	O=C1Nc2ccccc2C13OCCO3	InChIKey=PRMHWSVVQZVDGR-UHFFFAOYSA-N
InChI=1S/C27H34N2O5S/c1-15-16(2)24-22(17(3)23(15)30)20(27(4,5)34-24)14-29(6)11-12-33-19-9-7-18(8-10-19)13-21-25(31)28-26(32)35-21/h7-10,20-21,30H,11-14H2,1-6H3,(H,28,31,32)	614	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)CC3c4c(C)c(O)c(C)c(C)c4OC3(C)C	InChIKey=ICIVVTHCJYUIFR-UHFFFAOYSA-N
InChI=1S/C23H28N2O2S2/c1-6-27-20(26)15-7-9-16(10-8-15)24-21(28)25-17-11-12-19-18(13-17)22(2,3)14-23(4,5)29-19/h7-13H,6,14H2,1-5H3,(H2,24,25,28)	615	CCOC(=O)c1ccc(N\C(=N\c2ccc3SC(C)(C)CC(C)(C)c3c2)\S)cc1	InChIKey=UWRJJFOQSSAVSQ-UHFFFAOYSA-N
InChI=1S/C24H38O5/c1-24(28,16-14-18-9-7-10-18)15-8-12-20-19(21(25)17-22(20)26)11-5-3-4-6-13-23(27)29-2/h3-4,8,12,18-20,22,26,28H,5-7,9-11,13-17H2,1-2H3/b4-3-,12-8+/t19-,20-,22-,24?/m1/s1	616	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CCC2)[C@H](O)CC1=O	InChIKey=AIYUGQTUWWVURD-JQCQWMCCSA-N
InChI=1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8-/t16-,19+,20?,21-,25-,26+,27-/m1/s1	617	C\C=C(\C)/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(=O)C)C[C@@]4(O)C3C=C(C)C4=O)[C@@H]1C2(C)C	InChIKey=ZZTJICHINNSOQL-CPQWMALVSA-N
InChI=1S/C11H8ClN3O/c12-10-9(11(13)16)5-8(6-15-10)7-1-3-14-4-2-7/h1-6H,(H2,13,16)	618	NC(=O)c1cc(cnc1Cl)c2ccncc2	InChIKey=RCAZYEZCOKYOEO-UHFFFAOYSA-N
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	619	CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N	InChIKey=NDDAHWYSQHTHNT-UHFFFAOYSA-N
InChI=1S/C27H32N2O5S/c1-15-16(2)24-22(17(3)23(15)30)20(27(4,5)34-24)14-29(6)11-12-33-19-9-7-18(8-10-19)13-21-25(31)28-26(32)35-21/h7-10,13,20,30H,11-12,14H2,1-6H3,(H,28,31,32)/b21-13-	621	CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3c4c(C)c(O)c(C)c(C)c4OC3(C)C	InChIKey=UQTBFJKRXXWVLC-BKUYFWCQSA-N
InChI=1S/C23H36O5/c1-23(27,15-13-17-11-12-17)14-7-9-19-18(20(24)16-21(19)25)8-5-3-4-6-10-22(26)28-2/h3-4,7,9,17-19,21,25,27H,5-6,8,10-16H2,1-2H3/b4-3-,9-7+/t18-,19-,21-,23?/m1/s1	622	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CC2)[C@H](O)CC1=O	InChIKey=LYAISQMHPNUUNI-KRJYFAAISA-N
InChI=1S/C14H15N3O3S/c1-3-5-20-14(19)11-10-7-16(2)13(18)12-9(4-6-21-12)17(10)8-15-11/h4,6,8H,3,5,7H2,1-2H3	623	CCCOC(=O)c1ncn2c1CN(C)C(=O)c3sccc23	InChIKey=QGPTWCMBDAOFIL-UHFFFAOYSA-N
InChI=1S/C20H24N2O3/c1-14-13-19(25-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)24-20/h8-11,13H,4-7,12H2,1-3H3	624	Cc1cc(CCCCCOc2ccc(cc2)c3oc(C)c(C)n3)on1	InChIKey=LHLWZXSMKWZJOR-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c1-12-9-5-3-2-4-8(9)11(10(12)13)14-6-7-15-11/h2-5H,6-7H2,1H3	625	CN1C(=O)C2(OCCO2)c3ccccc13	InChIKey=ZRQSXJLARJOLEJ-UHFFFAOYSA-N
InChI=1S/C15H18N2O4/c18-14-15(20-9-10-21-15)12-3-1-2-4-13(12)17(14)11-16-5-7-19-8-6-16/h1-4H,5-11H2	626	O=C1N(CN2CCOCC2)c3ccccc3C14OCCO4	InChIKey=NDTDFQHLSCBSET-UHFFFAOYSA-N
InChI=1S/C41H67N9O16/c1-9-12-28(53)50(16-10-2)48-38(63)27-13-11-17-49(27)41(66)33(21(5)6)46-39(64)32(20(3)4)45-37(62)26(19-31(58)59)44-35(60)24(14-15-29(54)55)43-40(65)34(22(7)51)47-36(61)25(18-30(56)57)42-23(8)52/h20-22,24-27,32-34,51H,9-19H2,1-8H3,(H,42,52)(H,43,65)(H,44,60)(H,45,62)(H,46,64)(H,47,61)(H,48,63)(H,54,55)(H,56,57)(H,58,59)/t22-,24+,25+,26+,27-,32+,33+,34+/m1/s1	627	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)CCC	InChIKey=DSBXGLAVDUCRMF-UQOQARLLSA-N
InChI=1S/C40H65N9O16/c1-9-15-49(27(52)10-2)47-37(62)26-12-11-16-48(26)40(65)32(20(5)6)45-38(63)31(19(3)4)44-36(61)25(18-30(57)58)43-34(59)23(13-14-28(53)54)42-39(64)33(21(7)50)46-35(60)24(17-29(55)56)41-22(8)51/h19-21,23-26,31-33,50H,9-18H2,1-8H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26-,31+,32+,33+/m1/s1	628	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)CC	InChIKey=VECKYAOVFWFPNG-SZVPTALDSA-N
InChI=1S/C39H63N9O16/c1-9-14-48(22(8)51)46-36(61)26-11-10-15-47(26)39(64)31(19(4)5)44-37(62)30(18(2)3)43-35(60)25(17-29(56)57)42-33(58)23(12-13-27(52)53)41-38(63)32(20(6)49)45-34(59)24(16-28(54)55)40-21(7)50/h18-20,23-26,30-32,49H,9-17H2,1-8H3,(H,40,50)(H,41,63)(H,42,58)(H,43,60)(H,44,62)(H,45,59)(H,46,61)(H,52,53)(H,54,55)(H,56,57)/t20-,23+,24+,25+,26-,30+,31+,32+/m1/s1	629	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)C	InChIKey=KHINHXDZGSRHNV-UGPCQSEYSA-N
InChI=1S/C24H30N2O3S/c1-7-29-21(27)16-8-10-17(11-9-16)25-22(28)26-19-13-18-20(12-15(19)2)30-24(5,6)14-23(18,3)4/h8-13H,7,14H2,1-6H3,(H2,25,26,28)	630	CCOC(=O)c1ccc(NC(=O)Nc2cc3c(SC(C)(C)CC3(C)C)cc2C)cc1	InChIKey=WOFLEGFZRDCSOE-UHFFFAOYSA-N
InChI=1S/C21H27N3O2S3/c1-13-10-18-16(20(2,3)12-21(4,5)28-18)11-17(13)24-19(27)23-14-6-8-15(9-7-14)29(22,25)26/h6-11H,12H2,1-5H3,(H2,22,25,26)(H2,23,24,27)	631	Cc1cc2SC(C)(C)CC(C)(C)c2cc1\N=C(/S)\Nc3ccc(cc3)S(=O)(=O)N	InChIKey=JXHVRXRRSSBGPY-UHFFFAOYSA-N
InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	632	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NCCc4ccccc4	InChIKey=QHHWBJSWWBHSAV-UHFFFAOYSA-N
InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)	633	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)NCc4ccccc4	InChIKey=HNQZSWLJGQMZGQ-UHFFFAOYSA-N
InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	634	CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23	InChIKey=QORLMYYHZLDYOR-UHFFFAOYSA-N
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	635	CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23	InChIKey=OFBIFZUFASYYRE-UHFFFAOYSA-N
InChI=1S/C11H8ClN3O/c12-10-8(11(13)16)6-9(14-15-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)	636	NC(=O)c1cc(nnc1Cl)c2ccccc2	InChIKey=VQIXQCYIFKCROQ-UHFFFAOYSA-N
InChI=1S/C39H60F3N9O16/c1-8-13-51(38(67)39(40,41)42)49-34(63)24-10-9-14-50(24)37(66)29(18(4)5)47-35(64)28(17(2)3)46-33(62)23(16-27(58)59)45-31(60)21(11-12-25(54)55)44-36(65)30(19(6)52)48-32(61)22(15-26(56)57)43-20(7)53/h17-19,21-24,28-30,52H,8-16H2,1-7H3,(H,43,53)(H,44,65)(H,45,60)(H,46,62)(H,47,64)(H,48,61)(H,49,63)(H,54,55)(H,56,57)(H,58,59)/t19-,21+,22+,23+,24-,28+,29+,30+/m1/s1	637	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(F)(F)F	InChIKey=LEXSMYYWVPCLMI-YCSLXHCLSA-N
InChI=1S/C38H62ClN9O17S/c1-8-13-48(66(64,65)17-39)46-35(60)25-10-9-14-47(25)38(63)30(19(4)5)44-36(61)29(18(2)3)43-34(59)24(16-28(55)56)42-32(57)22(11-12-26(51)52)41-37(62)31(20(6)49)45-33(58)23(15-27(53)54)40-21(7)50/h18-20,22-25,29-31,49H,8-17H2,1-7H3,(H,40,50)(H,41,62)(H,42,57)(H,43,59)(H,44,61)(H,45,58)(H,46,60)(H,51,52)(H,53,54)(H,55,56)/t20-,22+,23+,24+,25-,29+,30+,31+/m1/s1	638	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)S(=O)(=O)CCl	InChIKey=JJCJTZCVGHMDIT-ZYZBBMSPSA-N
InChI=1S/C85H128N20O31S/c1-11-29-105(103-78(128)60-20-16-30-104(60)83(133)66(41(4)5)99-80(130)65(40(2)3)98-75(125)57(35-64(118)119)94-70(120)51(25-26-62(114)115)92-81(131)68(43(7)109)102-74(124)56(34-63(116)117)89-45(9)111)85(136)97-59(39-107)77(127)91-52(27-31-137-10)71(121)96-58(38-106)76(126)93-54(32-46-21-23-48(112)24-22-46)72(122)101-69(44(8)110)82(132)95-55(33-47-36-87-50-18-13-12-17-49(47)50)73(123)100-67(42(6)108)79(129)88-37-61(113)90-53(84(134)135)19-14-15-28-86/h12-13,17-18,21-24,36,40-44,51-60,65-69,87,106-110,112H,11,14-16,19-20,25-35,37-39,86H2,1-10H3,(H,88,129)(H,89,111)(H,90,113)(H,91,127)(H,92,131)(H,93,126)(H,94,120)(H,95,132)(H,96,121)(H,97,136)(H,98,125)(H,99,130)(H,100,123)(H,101,122)(H,102,124)(H,103,128)(H,114,115)(H,116,117)(H,118,119)(H,134,135)/t42-,43-,44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65+,66+,67+,68+,69+/m1/s1	639	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	InChIKey=BXCFFBJMEVBHHX-QVYISQEJSA-N
InChI=1S/C15H18N2O3/c18-14-15(19-9-10-20-15)12-5-1-2-6-13(12)17(14)11-16-7-3-4-8-16/h1-2,5-6H,3-4,7-11H2	640	O=C1N(CN2CCCC2)c3ccccc3C14OCCO4	InChIKey=GFINNYVMSIFFAB-UHFFFAOYSA-N
InChI=1S/C11H15NO/c1-7-3-8-4-10(12)5-9(8)6-11(7)13-2/h3,6,10H,4-5,12H2,1-2H3	642	COc1cc2CC(N)Cc2cc1C	InChIKey=JLESVLCTIOAHPT-UHFFFAOYSA-N
InChI=1S/C28H23FN4O4/c1-3-14-33(16-18-4-13-24-23(15-18)27(35)31-17(2)30-24)22-11-7-20(8-12-22)26(34)32-25(28(36)37)19-5-9-21(29)10-6-19/h1,4-13,15,25H,14,16H2,2H3,(H,32,34)(H,36,37)(H,30,31,35)/t25-/m1/s1	643	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(=O)O)c4ccc(F)cc4)ccc2n1	InChIKey=BTHRUYAJJZUCTB-RUZDIDTESA-N
InChI=1S/C21H20N4O2/c1-4-11-25(17-8-6-16(7-9-17)20(26)22-3)13-15-5-10-19-18(12-15)21(27)24-14(2)23-19/h1,5-10,12H,11,13H2,2-3H3,(H,22,26)(H,23,24,27)	644	CNC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2	InChIKey=XSQLHVPPXBBUPP-UHFFFAOYSA-N
InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)	645	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)cn3	InChIKey=KBJRQIMFXHNPEQ-UHFFFAOYSA-N
InChI=1S/C27H30INO/c1-4-26(21-9-6-5-7-10-21)27(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)30-20-8-19-29(2)3/h5-7,9-18H,4,8,19-20H2,1-3H3/b27-26-	646	CC\C(=C(/c1ccc(I)cc1)\c2ccc(OCCCN(C)C)cc2)\c3ccccc3	InChIKey=GHWQLKYWYYHBMT-RQZHXJHFSA-N
InChI=1S/C14H13ClN4O3/c1-2-22-12(20)8-17-14(21)10-7-11(18-19-13(10)15)9-3-5-16-6-4-9/h3-7H,2,8H2,1H3,(H,17,21)	647	CCOC(=O)CNC(=O)c1cc(nnc1Cl)c2ccncc2	InChIKey=AGKQNXQFCSQZAS-UHFFFAOYSA-N
InChI=1S/C17H11Cl3N4O/c18-12-2-1-11(14(19)7-12)9-22-17(25)13-8-15(23-24-16(13)20)10-3-5-21-6-4-10/h1-8H,9H2,(H,22,25)	648	Clc1ccc(CNC(=O)c2cc(nnc2Cl)c3ccncc3)c(Cl)c1	InChIKey=FYKVJUPSXGTEJZ-UHFFFAOYSA-N
InChI=1S/C20H20N2O5/c1-13(23)21-11-17-12-22(20(25)27-17)16-8-6-14(7-9-16)15-4-3-5-19(26-2)18(24)10-15/h3-10,17H,11-12H2,1-2H3,(H,21,23)	649	COC1=CC=CC(=CC1=O)c2ccc(cc2)N3CC(CNC(=O)C)OC3=O	InChIKey=DJMIUCKLXPTAJU-UHFFFAOYSA-N
InChI=1S/C25H34O6/c1-7-13(2)21(28)31-24-10-15(4)25(30)17(19(24)22(24,5)6)9-16(12-26)11-23(29)18(25)8-14(3)20(23)27/h7-9,15,17-19,26,29-30H,10-12H2,1-6H3/b13-7-/t15-,17+,18?,19-,23-,24+,25-/m1/s1	650	C\C=C(\C)/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)C3C=C(C)C4=O)[C@@H]1C2(C)C	InChIKey=GFAGCYRBGVCTPP-ILGZSDCASA-N
InChI=1S/C83H126N20O30S/c1-10-28-103(101-76(125)58-19-15-29-102(58)81(130)64(40(4)5)97-78(127)63(39(2)3)96-73(122)55(34-62(115)116)92-69(118)50(24-25-60(111)112)90-79(128)66(42(7)107)98-68(117)48(85)33-61(113)114)83(133)95-57(38-105)75(124)89-51(26-30-134-9)70(119)94-56(37-104)74(123)91-53(31-44-20-22-46(109)23-21-44)71(120)100-67(43(8)108)80(129)93-54(32-45-35-86-49-17-12-11-16-47(45)49)72(121)99-65(41(6)106)77(126)87-36-59(110)88-52(82(131)132)18-13-14-27-84/h11-12,16-17,20-23,35,39-43,48,50-58,63-67,86,104-109H,10,13-15,18-19,24-34,36-38,84-85H2,1-9H3,(H,87,126)(H,88,110)(H,89,124)(H,90,128)(H,91,123)(H,92,118)(H,93,129)(H,94,119)(H,95,133)(H,96,122)(H,97,127)(H,98,117)(H,99,121)(H,100,120)(H,101,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t41-,42-,43-,48+,50+,51+,52+,53+,54+,55+,56+,57+,58-,63+,64+,65+,66+,67+/m1/s1	651	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	InChIKey=HLMMOZRVJBOROE-GRZMLTLNSA-N
InChI=1S/C27H40N6O8/c1-7-14-32(27(38)41-20-12-10-19(11-13-20)33(39)40)30-24(35)21-9-8-15-31(21)26(37)23(17(4)5)29-25(36)22(16(2)3)28-18(6)34/h10-13,16-17,21-23H,7-9,14-15H2,1-6H3,(H,28,34)(H,29,36)(H,30,35)/t21-,22+,23+/m1/s1	652	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=OAPYTGRTTIFJOZ-VJBWXMMDSA-N
InChI=1S/C31H45N7O11/c1-7-14-37(31(46)49-21-12-10-20(11-13-21)38(47)48)35-28(43)23-9-8-15-36(23)30(45)26(18(4)5)34-29(44)25(17(2)3)33-27(42)22(16-24(40)41)32-19(6)39/h10-13,17-18,22-23,25-26H,7-9,14-16H2,1-6H3,(H,32,39)(H,33,42)(H,34,44)(H,35,43)(H,40,41)/t22-,23+,25-,26-/m0/s1	653	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=VNEWHRUAJXGKHM-AYEHBTSNSA-N
InChI=1S/C26H22N4O2/c1-3-15-30(17-19-9-14-24-23(16-19)26(32)28-18(2)27-24)22-12-10-20(11-13-22)25(31)29-21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,29,31)(H,27,28,32)	654	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)Nc4ccccc4)ccc2n1	InChIKey=CIZRYSKNRLNVSU-UHFFFAOYSA-N
InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	656	Clc1ccc2NC(=O)C3(OCCO3)c2c1	InChIKey=OPFGQEXBZMZFKW-UHFFFAOYSA-N
InChI=1S/C17H15NO3/c19-16-17(20-10-11-21-17)14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2	657	O=C1N(Cc2ccccc2)c3ccccc3C14OCCO4	InChIKey=VHZGWEHDOSHOQU-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c1-7-2-3-9-8(6-7)11(10(13)12-9)14-4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)	658	Cc1ccc2NC(=O)C3(OCCO3)c2c1	InChIKey=WEKVUWUYWCGLCK-UHFFFAOYSA-N
InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3	659	Cc1cc(CCCCCOc2ccc(cc2Cl)C3=NCCO3)on1	InChIKey=FCSKOFQQCWLGMV-UHFFFAOYSA-N
InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3	660	Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1	InChIKey=IWZDYGHUSXWPPM-UHFFFAOYSA-N
InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21?,22?,24-,25-,26-,27?,28-/m1/s1	661	C[C@@H]1C[C@@]2(OC3(Cc4ccccc4)O[C@@H]2C5C=C(CO)C[C@@]6(O)C(C=C(C)C6=O)[C@@]15O3)C(=C)C	InChIKey=FFKXTXJQZGIKQZ-ZZCJHLDGSA-N
InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2	662	OCCOCOCc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1	InChIKey=JLSNWEWWUSOSMP-UHFFFAOYSA-N
InChI=1S/C28H34N2O5S/c1-6-30(16-28(5)12-11-22-19(4)24(31)17(2)18(3)25(22)35-28)13-14-34-21-9-7-20(8-10-21)15-23-26(32)29-27(33)36-23/h7-10,15,31H,6,11-14,16H2,1-5H3,(H,29,32,33)/b23-15-	663	CCN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3	InChIKey=IDCRXMOPFLSPGO-HAHDFKILSA-N
InChI=1S/C16H12N6S/c17-14-13-15(22-16(18)21-14)19-8-12(20-13)23-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H4,17,18,19,21,22)	664	Nc1nc(N)c2nc(Sc3cccc4ccccc34)cnc2n1	InChIKey=XEQPDASMRAAIFW-UHFFFAOYSA-N
InChI=1S/C24H27NO5S/c1-12-13(2)21-19(14(3)20(12)26)17(24(4,5)30-21)11-29-16-8-6-15(7-9-16)10-18-22(27)25-23(28)31-18/h6-9,17-18,26H,10-11H2,1-5H3,(H,25,27,28)	665	Cc1c(C)c2OC(C)(C)C(COc3ccc(CC4SC(=O)NC4=O)cc3)c2c(C)c1O	InChIKey=LQLNCTJDKPCCRB-UHFFFAOYSA-N
InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)	666	Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O	InChIKey=GXPHKUHSUJUWKP-UHFFFAOYSA-N
InChI=1S/C39H59Cl4N9O17/c1-8-52(38(68)69-37(40)39(41,42)43)50-33(64)23-10-9-13-51(23)36(67)28(17(4)5)48-34(65)27(16(2)3)47-32(63)22(15-26(59)60)46-30(61)20(11-12-24(55)56)45-35(66)29(18(6)53)49-31(62)21(14-25(57)58)44-19(7)54/h16-18,20-23,27-29,37,53H,8-15H2,1-7H3,(H,44,54)(H,45,66)(H,46,61)(H,47,63)(H,48,65)(H,49,62)(H,50,64)(H,55,56)(H,57,58)(H,59,60)/t18-,20+,21+,22+,23-,27+,28+,29+,37?/m1/s1	667	CCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl	InChIKey=SWYHBWPZVINSGA-QMFQWXHFSA-N
InChI=1S/C43H62N10O19/c1-8-52(43(69)72-25-13-11-24(12-14-25)53(70)71)50-39(65)29-10-9-17-51(29)42(68)34(21(4)5)48-40(66)33(20(2)3)47-38(64)28(19-32(60)61)46-36(62)26(15-16-30(56)57)45-41(67)35(22(6)54)49-37(63)27(18-31(58)59)44-23(7)55/h11-14,20-22,26-29,33-35,54H,8-10,15-19H2,1-7H3,(H,44,55)(H,45,67)(H,46,62)(H,47,64)(H,48,66)(H,49,63)(H,50,65)(H,56,57)(H,58,59)(H,60,61)/t22-,26+,27+,28+,29-,33+,34+,35+/m1/s1	668	CCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=OLILGIWITNAURN-NCZOIPPDSA-N
InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3	669	Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1	InChIKey=JJDHAOLOHQTGMG-UHFFFAOYSA-N
InChI=1S/C26H42O5/c1-26(30,18-16-20-11-6-5-7-12-20)17-10-14-22-21(23(27)19-24(22)28)13-8-3-4-9-15-25(29)31-2/h3-4,10,14,20-22,24,28,30H,5-9,11-13,15-19H2,1-2H3/b4-3-,14-10+/t21-,22-,24-,26?/m1/s1	670	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CCCCC2)[C@H](O)CC1=O	InChIKey=VQSHWQPCRVSPCR-WUFWJUOFSA-N
InChI=1S/C22H31N5O5/c1-16-11-18(22-23-26-27(3)24-22)12-17(2)21(16)31-9-6-4-5-7-20-13-19(25-32-20)14-30-15-29-10-8-28/h11-13,28H,4-10,14-15H2,1-3H3	671	Cc1cc(cc(C)c1OCCCCCc2onc(COCOCCO)c2)c3nnn(C)n3	InChIKey=MSILANCOODDISV-UHFFFAOYSA-N
InChI=1S/C20H24N2/c1-2-21-12-13-22-14-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(22)15-21/h3-11,19-20H,2,12-15H2,1H3	672	CCN1CCN2CC(c3ccccc3)c4ccccc4C2C1	InChIKey=ALJBIHSYMDQUHR-UHFFFAOYSA-N
InChI=1S/C19H23N3/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13,20H2,1H3	673	CN1CCN2CC(c3ccc(N)cc3)c4ccccc4C2C1	InChIKey=MQYSOFADODEXLT-UHFFFAOYSA-N
InChI=1S/C19H22N2O/c1-20-10-11-21-12-18(14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)19(21)13-20/h2-9,18-19,22H,10-13H2,1H3	674	CN1CCN2CC(c3ccc(O)cc3)c4ccccc4C2C1	InChIKey=KNYDPQMSVNKMHO-UHFFFAOYSA-N
InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	675	Clc1ccc(cn1)C2CC3CCC2N3	InChIKey=NLPRAJRHRHZCQQ-UHFFFAOYSA-N
InChI=1S/C20H27N5O4/c1-27-16-11-14-15(12-17(16)28-2)22-20(23-18(14)21)25-5-3-13(4-6-25)19(26)24-7-9-29-10-8-24/h11-13H,3-10H2,1-2H3,(H2,21,22,23)	676	COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)N4CCOCC4	InChIKey=WWHOAVVMDSXQOI-UHFFFAOYSA-N
InChI=1S/C27H44O5/c1-27(31,19-17-21-12-7-3-4-8-13-21)18-11-15-23-22(24(28)20-25(23)29)14-9-5-6-10-16-26(30)32-2/h5-6,11,15,21-23,25,29,31H,3-4,7-10,12-14,16-20H2,1-2H3/b6-5-,15-11+/t22-,23-,25-,27?/m1/s1	678	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CCCCCC2)[C@H](O)CC1=O	InChIKey=KFQOCRVSIWXQLA-IMKGNWDTSA-N
InChI=1S/C18H20N2/c1-2-6-14(7-3-1)17-13-20-11-10-19-12-18(20)16-9-5-4-8-15(16)17/h1-9,17-19H,10-13H2	680	C1CN2CC(c3ccccc3)c4ccccc4C2CN1	InChIKey=IVDVHWNKPARSHK-UHFFFAOYSA-N
InChI=1S/C22H23N3O4/c1-3-12-23-20-10-6-17(7-11-21(20)27)16-4-8-18(9-5-16)25-14-19(29-22(25)28)13-24-15(2)26/h3-11,19H,1,12-14H2,2H3,(H,23,27)(H,24,26)	681	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)C3=CC=C(NCC=C)C(=O)C=C3	InChIKey=PJHKRWSGGZHJAJ-UHFFFAOYSA-N
InChI=1S/C23H24N4O2/c1-4-12-24-22(28)18-7-9-19(10-8-18)27(13-5-2)15-17-6-11-21-20(14-17)23(29)26-16(3)25-21/h2,6-11,14H,4,12-13,15H2,1,3H3,(H,24,28)(H,25,26,29)	682	CCCNC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3nc(C)nc(O)c3c2	InChIKey=LIPFBXPZJPFEMC-UHFFFAOYSA-N
InChI=1S/C27H23N5O4/c1-3-14-31(17-19-8-13-24-23(15-19)27(34)30-18(2)29-24)22-11-9-20(10-12-22)26(33)28-16-21-6-4-5-7-25(21)32(35)36/h1,4-13,15H,14,16-17H2,2H3,(H,28,33)(H,29,30,34)	683	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccccc4[N+](=O)[O-])ccc2n1	InChIKey=OAWSIVPEPUPFRS-UHFFFAOYSA-N
InChI=1S/C17H13ClN4O/c18-16-14(17(23)20-11-12-4-2-1-3-5-12)10-15(21-22-16)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,23)	686	Clc1nnc(cc1C(=O)NCc2ccccc2)c3ccncc3	InChIKey=SPPRTXLXIZNGFC-UHFFFAOYSA-N
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	687	CCCN(CCC)[C@H]1CCc2c(O)cccc2C1	InChIKey=MDBWEQVKJDMEMK-AWEZNQCLSA-N
InChI=1S/C20H20N2O5/c1-13(23)21-11-17-12-22(20(25)27-17)16-7-3-14(4-8-16)15-5-9-18(24)19(26-2)10-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,23)	688	COC1=CC=C(C=CC1=O)c2ccc(cc2)N3CC(CNC(=O)C)OC3=O	InChIKey=KEIVGOROUOTWOX-UHFFFAOYSA-N
InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)	689	Cc1cc(O)nc2cc(N)ccc12	InChIKey=MJXYFLJHTUSJGU-UHFFFAOYSA-N
InChI=1S/C10H9NO2/c1-6-4-10(13)11-9-5-7(12)2-3-8(6)9/h2-5,12H,1H3,(H,11,13)	690	Cc1cc(O)nc2cc(O)ccc12	InChIKey=MYEVEFULPUKTSZ-UHFFFAOYSA-N
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10?,13?,15-,17?,22?,27-/m0/s1	691	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO	InChIKey=AOJJSUZBOXZQNB-SNFLSGHGSA-N
InChI=1S/C20H25NO6/c1-10-9-13(22)21(18(25)27-19(2,3)4)15-11(10)7-8-12-14(15)16(23)17(24)20(5,6)26-12/h7-9,16-17,23-24H,1-6H3/t16-,17-/m1/s1	695	CC1=CC(=O)N(C(=O)OC(C)(C)C)c2c3[C@@H](O)[C@@H](O)C(C)(C)Oc3ccc12	InChIKey=AFVUFPACJOSAJM-IAGOWNOFSA-N
InChI=1S/C15H15NO2/c1-9-8-13(17)16-14-10(9)4-5-12-11(14)6-7-15(2,3)18-12/h4-8H,1-3H3,(H,16,17)	696	Cc1cc(O)nc2c3C=CC(C)(C)Oc3ccc12	InChIKey=FCVQLBDLMFSDAX-UHFFFAOYSA-N
InChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-4,7,12H,5-6,8H2	697	C1Cn2c(CN1)cc3ccccc23	InChIKey=AEIDURNZWCNQIM-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-11-3-2-9-6-10-8-13-4-5-14(10)12(9)7-11/h2-3,6-7,13H,4-5,8H2,1H3	699	COc1ccc2cc3CNCCn3c2c1	InChIKey=TXOXRFRYYDBUAR-UHFFFAOYSA-N
InChI=1S/C12H14N2O/c1-15-11-2-3-12-9(7-11)6-10-8-13-4-5-14(10)12/h2-3,6-7,13H,4-5,8H2,1H3	700	COc1ccc2c(cc3CNCCn23)c1	InChIKey=OCHMVUBCWNSWJE-UHFFFAOYSA-N
InChI=1S/C10H11N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h1-4,11H,5-7H2	701	C1Cn2c(CN1)nc3ccccc23	InChIKey=CVGPZQMGLKRVJV-UHFFFAOYSA-N
InChI=1S/C20H23NO4/c1-12-11-16(22)21(18(23)25-19(2,3)4)17-13(12)7-8-15-14(17)9-10-20(5,6)24-15/h7-11H,1-6H3	702	CC1=CC(=O)N(C(=O)OC(C)(C)C)c2c3C=CC(C)(C)Oc3ccc12	InChIKey=UEBXUFSLLVGRQN-UHFFFAOYSA-N
InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3	703	CC1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2	InChIKey=NEAZMARKCJKUMF-UHFFFAOYSA-N
InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)	704	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnc(Br)cn3	InChIKey=DFVPVSOUYKGHAX-UHFFFAOYSA-N
InChI=1S/C16H12N6S/c17-14-13-15(22-16(18)21-14)19-8-12(20-13)23-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H4,17,18,19,21,22)	705	Nc1nc(N)c2nc(Sc3ccc4ccccc4c3)cnc2n1	InChIKey=CQSNOLHCEIHDLG-UHFFFAOYSA-N
InChI=1S/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2	706	Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(O)cc3	InChIKey=POEZOFHZEJTFHF-UHFFFAOYSA-N
InChI=1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+	707	C\C(=C(\C)/c1ccc(O)cc1)\c2ccc(O)cc2	InChIKey=XPINIPXARSNZDM-VAWYXSNFSA-N
InChI=1S/C16H10F6O/c17-15(18,19)14(16(20,21)22)13(10-4-2-1-3-5-10)11-6-8-12(23)9-7-11/h1-9,23H	708	Oc1ccc(cc1)C(=C(C(F)(F)F)C(F)(F)F)c2ccccc2	InChIKey=SGDKKXBZRDIBGC-UHFFFAOYSA-N
InChI=1S/C17H17N3O2S/c1-20(2)16-9-3-8-15-14(16)7-4-10-17(15)23(21,22)19-13-6-5-11-18-12-13/h3-12,19H,1-2H3	709	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cccnc3	InChIKey=LPUOLXOMTNMBCB-UHFFFAOYSA-N
InChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)	710	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3nnc(Cl)cc3C	InChIKey=WTGLGALNVFXVHG-UHFFFAOYSA-N
InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	711	C1CN=C(N1)c2oc3ccccc3c2	InChIKey=YTJOHEUHUVBKSB-UHFFFAOYSA-N
InChI=1S/C12H7Cl3N6S/c13-4-1-6(15)7(2-5(4)14)22-8-3-18-11-9(19-8)10(16)20-12(17)21-11/h1-3H,(H4,16,17,18,20,21)	713	Nc1nc(N)c2nc(Sc3cc(Cl)c(Cl)cc3Cl)cnc2n1	InChIKey=PGLOMWWRBMRVAZ-UHFFFAOYSA-N
InChI=1S/C13H17N3O2/c1-18-13(17)16-12-5-2-8(7-14-12)10-6-9-3-4-11(10)15-9/h2,5,7,9-11,15H,3-4,6H2,1H3,(H,14,16,17)	714	COC(=O)Nc1ccc(cn1)C2CC3CCC2N3	InChIKey=VEMSBPBTPDEDKU-UHFFFAOYSA-N
InChI=1S/C10H12ClN3/c11-10-12-4-6(5-13-10)8-3-7-1-2-9(8)14-7/h4-5,7-9,14H,1-3H2	715	Clc1ncc(cn1)C2CC3CCC2N3	InChIKey=CKXWRJNYEPKBPI-UHFFFAOYSA-N
InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3	716	CCC1CCNc2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=FVNZFSAGJPHSHT-UHFFFAOYSA-N
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	717	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F	InChIKey=LKJPYSCBVHEWIU-UHFFFAOYSA-N
InChI=1S/C23H28N2O3S/c1-6-28-20(26)15-7-9-16(10-8-15)24-21(27)25-17-11-12-19-18(13-17)22(2,3)14-23(4,5)29-19/h7-13H,6,14H2,1-5H3,(H2,24,25,27)	719	CCOC(=O)c1ccc(NC(=O)Nc2ccc3SC(C)(C)CC(C)(C)c3c2)cc1	InChIKey=JDLHMPAKFYRMTR-UHFFFAOYSA-N
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	721	CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13	InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N
InChI=1S/C13H16ClN3O/c14-6-13(18)17-12-4-1-8(7-15-12)10-5-9-2-3-11(10)16-9/h1,4,7,9-11,16H,2-3,5-6H2,(H,15,17,18)	722	ClCC(=O)Nc1ccc(cn1)C2CC3CCC2N3	InChIKey=XUSGODCXISXICT-UHFFFAOYSA-N
InChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3	723	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Cl)cc3	InChIKey=TWRCAICAMBKPHB-UHFFFAOYSA-N
InChI=1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)/t13-/m0/s1	725	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)C(=O)C	InChIKey=POXUJOYUVLWPQN-ZDUSSCGKSA-N
InChI=1S/C11H7BrClN3O/c12-7-3-1-6(2-4-7)9-5-8(11(14)17)10(13)16-15-9/h1-5H,(H2,14,17)	726	NC(=O)c1cc(nnc1Cl)c2ccc(Br)cc2	InChIKey=GMHRNVGOQRUVJY-UHFFFAOYSA-N
InChI=1S/C20H25N3O2S3/c1-19(2)12-20(3,4)27-17-10-7-14(11-16(17)19)23-18(26)22-13-5-8-15(9-6-13)28(21,24)25/h5-11H,12H2,1-4H3,(H2,21,24,25)(H2,22,23,26)	727	CC1(C)CC(C)(C)c2cc(N\C(=N\c3ccc(cc3)S(=O)(=O)N)\S)ccc2S1	InChIKey=HNXZQKZCCDWHKO-UHFFFAOYSA-N
InChI=1S/C17H13ClN4O3S/c18-16-14(17(19)23)10-15(20-21-16)11-6-8-12(9-7-11)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H,(H2,19,23)	728	NC(=O)c1cc(nnc1Cl)c2ccc(NS(=O)(=O)c3ccccc3)cc2	InChIKey=NLZRDPPRTVFTDO-UHFFFAOYSA-N
InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	729	CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(ccc23)N=[N+]=[N-]	InChIKey=CFSOJZTUTOQNIA-UHFFFAOYSA-N
InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3	730	CN1Cc2c(ncn2c3ccc(cc3C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C	InChIKey=ORJZGDWYWRKAAI-UHFFFAOYSA-N
InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3	731	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Br)nc3	InChIKey=HFDGZOCJFKXXRM-UHFFFAOYSA-N
InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)	732	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnc(Cl)cn3	InChIKey=QVIHMHNAXFQPQO-UHFFFAOYSA-N
InChI=1S/C11H7Cl2N3O/c12-7-3-1-6(2-4-7)9-5-8(11(14)17)10(13)16-15-9/h1-5H,(H2,14,17)	733	NC(=O)c1cc(nnc1Cl)c2ccc(Cl)cc2	InChIKey=ITVVHDVEUCIDCR-UHFFFAOYSA-N
InChI=1S/C11H6Cl2FN3O/c12-7-3-5(1-2-8(7)14)9-4-6(11(15)18)10(13)17-16-9/h1-4H,(H2,15,18)	734	NC(=O)c1cc(nnc1Cl)c2ccc(F)c(Cl)c2	InChIKey=KDKSKQDQOWCHFF-UHFFFAOYSA-N
InChI=1S/C16H10F6O2/c17-15(18,19)13(9-1-5-11(23)6-2-9)14(16(20,21)22)10-3-7-12(24)8-4-10/h1-8,23-24H/b14-13+	735	Oc1ccc(cc1)\C(=C(\c2ccc(O)cc2)/C(F)(F)F)\C(F)(F)F	InChIKey=GTONMJMXHVMVIJ-BUHFOSPRSA-N
InChI=1S/C44H63N11O20/c1-8-13-53(43(70)24-15-25(54(72)73)17-26(16-24)55(74)75)51-40(67)30-10-9-14-52(30)44(71)35(21(4)5)49-41(68)34(20(2)3)48-39(66)29(19-33(62)63)47-37(64)27(11-12-31(58)59)46-42(69)36(22(6)56)50-38(65)28(18-32(60)61)45-23(7)57/h15-17,20-22,27-30,34-36,56H,8-14,18-19H2,1-7H3,(H,45,57)(H,46,69)(H,47,64)(H,48,66)(H,49,68)(H,50,65)(H,51,67)(H,58,59)(H,60,61)(H,62,63)/t22-,27+,28+,29+,30-,34+,35+,36+/m1/s1	736	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]	InChIKey=SDPKJSTYXVTUGF-CHBIXXAASA-N
InChI=1S/C41H69N11O16S/c1-8-14-52(41(68)47-27(19-54)37(64)44-24(13-16-69-7)35(62)46-26(18-53)33(42)60)50-38(65)28-10-9-15-51(28)40(67)32(21(4)5)49-39(66)31(20(2)3)48-36(63)25(17-30(58)59)45-34(61)23(43-22(6)55)11-12-29(56)57/h20-21,23-28,31-32,53-54H,8-19H2,1-7H3,(H2,42,60)(H,43,55)(H,44,64)(H,45,61)(H,46,62)(H,47,68)(H,48,63)(H,49,66)(H,50,65)(H,56,57)(H,58,59)/t23-,24-,25-,26-,27-,28+,31-,32-/m0/s1	737	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N	InChIKey=SIFSODAWEKAOQQ-QAHOUDLISA-N
InChI=1S/C12H10ClN3O2/c1-18-8-4-2-7(3-5-8)10-6-9(12(14)17)11(13)16-15-10/h2-6H,1H3,(H2,14,17)	738	COc1ccc(cc1)c2cc(C(=O)N)c(Cl)nn2	InChIKey=MZQJGTOODHEIIB-UHFFFAOYSA-N
InChI=1S/C12H8ClF2N3O3S/c1-22(20,21)10-7(14)2-5(3-8(10)15)9-4-6(12(16)19)11(13)18-17-9/h2-4H,1H3,(H2,16,19)	739	CS(=O)(=O)c1c(F)cc(cc1F)c2cc(C(=O)N)c(Cl)nn2	InChIKey=XMRJIMYTGHJRAT-UHFFFAOYSA-N
InChI=1S/C8H10N4O/c13-8-10-4-5-12(11-8)7-2-1-3-9-6-7/h1-3,6H,4-5H2,(H2,10,11,13)	740	O=C1NCCN(N1)c2cccnc2	InChIKey=STPWRBQEZQQXKR-UHFFFAOYSA-N
InChI=1S/C11H9ClN4O/c1-13-11(17)8-6-9(15-16-10(8)12)7-2-4-14-5-3-7/h2-6H,1H3,(H,13,17)	741	CNC(=O)c1cc(nnc1Cl)c2ccncc2	InChIKey=KLHZPEZDSHYCQP-UHFFFAOYSA-N
InChI=1S/C12H11ClN4O/c1-17(2)12(18)9-7-10(15-16-11(9)13)8-3-5-14-6-4-8/h3-7H,1-2H3	742	CN(C)C(=O)c1cc(nnc1Cl)c2ccncc2	InChIKey=GUIQXSDLUICCPV-UHFFFAOYSA-N
InChI=1S/C10H5ClN4/c11-10-8(6-12)5-9(14-15-10)7-1-3-13-4-2-7/h1-5H	743	Clc1nnc(cc1C#N)c2ccncc2	InChIKey=GAEYOYYTNAXZBY-UHFFFAOYSA-N
InChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)	744	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnc(C)cn3	InChIKey=KMWSOKYMPGSVHO-UHFFFAOYSA-N
InChI=1S/C18H18Cl2N8S/c1-27(2)9-22-17-15-16(25-18(26-17)23-10-28(3)4)21-8-14(24-15)29-11-5-6-12(19)13(20)7-11/h5-10H,1-4H3/b22-9-,23-10+	745	CN(C)\C=N/c1nc(\N=C\N(C)C)nc2ncc(Sc3ccc(Cl)c(Cl)c3)nc12	InChIKey=PNQCEOXWZYHHGF-HOCGEZQUSA-N
InChI=1S/C25H40O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9,13,19-21,23,27,29H,5-8,10-12,14-18H2,1-2H3/b4-3-,13-9+/t20-,21-,23-,25?/m1/s1	746	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCC2CCCC2)[C@H](O)CC1=O	InChIKey=NWZJYAFFJRBOHR-SAJQGIDCSA-N
InChI=1S/C20H20N2O5/c1-13(23)21-11-17-12-22(20(25)27-17)16-8-6-14(7-9-16)15-4-3-5-18(24)19(10-15)26-2/h3-10,17H,11-12H2,1-2H3,(H,21,23)	747	COC1=CC(=CC=CC1=O)c2ccc(cc2)N3CC(CNC(=O)C)OC3=O	InChIKey=NYAWYNQVAOOGQK-UHFFFAOYSA-N
InChI=1S/C77H116N18O26S/c1-10-28-95(93-71(114)56-19-15-29-94(56)75(118)61(39(4)5)90-73(116)60(38(2)3)89-68(111)53(33-59(105)106)85-64(107)48(81-42(8)100)24-25-58(103)104)77(121)88-55(37-97)70(113)83-49(26-30-122-9)65(108)87-54(36-96)69(112)84-51(31-43-20-22-45(101)23-21-43)66(109)92-63(41(7)99)74(117)86-52(32-44-34-79-47-17-12-11-16-46(44)47)67(110)91-62(40(6)98)72(115)80-35-57(102)82-50(76(119)120)18-13-14-27-78/h11-12,16-17,20-23,34,38-41,48-56,60-63,79,96-99,101H,10,13-15,18-19,24-33,35-37,78H2,1-9H3,(H,80,115)(H,81,100)(H,82,102)(H,83,113)(H,84,112)(H,85,107)(H,86,117)(H,87,108)(H,88,121)(H,89,111)(H,90,116)(H,91,110)(H,92,109)(H,93,114)(H,103,104)(H,105,106)(H,119,120)/t40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56-,60+,61+,62+,63+/m1/s1	748	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	InChIKey=FGGKNQBFBQZFPS-SKNWQNFNSA-N
InChI=1S/C42H69N9O16/c1-9-11-14-29(54)51(17-10-2)49-39(64)28-13-12-18-50(28)42(67)34(22(5)6)47-40(65)33(21(3)4)46-38(63)27(20-32(59)60)45-36(61)25(15-16-30(55)56)44-41(66)35(23(7)52)48-37(62)26(19-31(57)58)43-24(8)53/h21-23,25-28,33-35,52H,9-20H2,1-8H3,(H,43,53)(H,44,66)(H,45,61)(H,46,63)(H,47,65)(H,48,62)(H,49,64)(H,55,56)(H,57,58)(H,59,60)/t23-,25+,26+,27+,28-,33+,34+,35+/m1/s1	749	CCCCC(=O)N(CCC)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C	InChIKey=MJWLGFOPOTZIDL-JKPMNOKBSA-N
InChI=1S/C44H64N10O18/c1-8-17-53(43(69)25-11-13-26(14-12-25)54(71)72)51-40(66)30-10-9-18-52(30)44(70)35(22(4)5)49-41(67)34(21(2)3)48-39(65)29(20-33(61)62)47-37(63)27(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)28(19-32(59)60)45-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	750	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)[N+](=O)[O-]	InChIKey=LNKSYCFGGZFXOF-SNXMAQIISA-N
InChI=1S/C41H65N9O18/c1-9-15-50(40(66)41(67)68-10-2)48-36(62)26-12-11-16-49(26)39(65)31(20(5)6)46-37(63)30(19(3)4)45-35(61)25(18-29(57)58)44-33(59)23(13-14-27(53)54)43-38(64)32(21(7)51)47-34(60)24(17-28(55)56)42-22(8)52/h19-21,23-26,30-32,51H,9-18H2,1-8H3,(H,42,52)(H,43,64)(H,44,59)(H,45,61)(H,46,63)(H,47,60)(H,48,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26-,30+,31+,32+/m1/s1	751	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(=O)OCC	InChIKey=RVVJADZROFIWOK-POVHYMBBSA-N
InChI=1S/C39H62BrN9O16/c1-8-13-49(26(52)17-40)47-36(62)25-10-9-14-48(25)39(65)31(19(4)5)45-37(63)30(18(2)3)44-35(61)24(16-29(57)58)43-33(59)22(11-12-27(53)54)42-38(64)32(20(6)50)46-34(60)23(15-28(55)56)41-21(7)51/h18-20,22-25,30-32,50H,8-17H2,1-7H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23+,24+,25-,30+,31+,32+/m1/s1	752	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)CBr	InChIKey=JVVKFOUHRHSJLO-UVTIEPFQSA-N
InChI=1S/C17H17ClN4O2S/c1-11-10-16(19-20-17(11)18)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)	753	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cc(C)c(Cl)nn3	InChIKey=SYRDOLQNAYZUOF-UHFFFAOYSA-N
InChI=1S/C10H8ClNO3/c11-6-2-1-3-7-8(6)10(9(13)12-7)14-4-5-15-10/h1-3H,4-5H2,(H,12,13)	754	Clc1cccc2NC(=O)C3(OCCO3)c12	InChIKey=IZFWKLOVSIUDEK-UHFFFAOYSA-N
InChI=1S/C10H8N2O5/c13-9-10(16-3-4-17-10)7-5-6(12(14)15)1-2-8(7)11-9/h1-2,5H,3-4H2,(H,11,13)	755	[O-][N+](=O)c1ccc2NC(=O)C3(OCCO3)c2c1	InChIKey=ZOVHMRBVMUOGSF-UHFFFAOYSA-N
InChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-7-10(15-16-11(9)13)8-3-5-14-6-4-8/h3-7H,2H2,1H3	756	CCOC(=O)c1cc(nnc1Cl)c2ccncc2	InChIKey=DJUJHVXAIYTWRW-UHFFFAOYSA-N
InChI=1S/C13H13N3/c1-2-4-11-9(3-1)10-5-7-16-8-6-14-13(16)12(10)15-11/h1-4,15H,5-8H2	757	C1CN2CCc3c([nH]c4ccccc34)C2=N1	InChIKey=OZIBPGKMDWYQNO-UHFFFAOYSA-N
InChI=1S/C20H29N5O3/c1-4-7-22-18(26)10-13-5-8-25(9-6-13)20-23-15-12-17(28-3)16(27-2)11-14(15)19(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	758	CCCNC(=O)CC1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	InChIKey=LJRFIWIVFLBBPS-UHFFFAOYSA-N
InChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21)	759	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ncc(Br)cc3C	InChIKey=YMGNXXUWTUHJRZ-UHFFFAOYSA-N
InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3	760	CCOC(=O)c1ncn2c1C3CCCN3C(=O)c4ccccc24	InChIKey=VUSVWZBQTTWZGJ-UHFFFAOYSA-N
InChI=1S/C23H25N3O5/c1-16(27)24-14-20-15-26(23(29)31-20)19-6-2-17(3-7-19)18-4-8-21(22(28)9-5-18)25-10-12-30-13-11-25/h2-9,20H,10-15H2,1H3,(H,24,27)	761	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)C3=CC=C(N4CCOCC4)C(=O)C=C3	InChIKey=DJYUOQWBJWWJSV-UHFFFAOYSA-N
InChI=1S/C22H22N2O5/c1-3-12-28-21-11-7-17(6-10-20(21)26)16-4-8-18(9-5-16)24-14-19(29-22(24)27)13-23-15(2)25/h3-11,19H,1,12-14H2,2H3,(H,23,25)	763	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)C3=CC=C(OCC=C)C(=O)C=C3	InChIKey=QYFCICVRJFIUBP-UHFFFAOYSA-N
InChI=1S/C10H8N4O/c11-10(15)8-5-9(14-13-6-8)7-1-3-12-4-2-7/h1-6H,(H2,11,15)	764	NC(=O)c1cnnc(c1)c2ccncc2	InChIKey=BIBSHAPSZOGEPX-UHFFFAOYSA-N
InChI=1S/C11H10N4O2/c1-17-11-8(10(12)16)6-9(14-15-11)7-2-4-13-5-3-7/h2-6H,1H3,(H2,12,16)	765	COc1nnc(cc1C(=O)N)c2ccncc2	InChIKey=HCAPDUFVMMSBRM-UHFFFAOYSA-N
InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-11-9-18-16(17)19-10-11/h3-10,20H,1-2H3	766	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnc(Br)nc3	InChIKey=PBZQPEYJZSYMNV-UHFFFAOYSA-N
InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3	767	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Cl)nc3	InChIKey=KWCGGSGQFPVERL-UHFFFAOYSA-N
InChI=1S/C10H8BrNO3/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)	768	Brc1ccc2NC(=O)C3(OCCO3)c2c1	InChIKey=GQAJPVMAVMEQQJ-UHFFFAOYSA-N
InChI=1S/C22H21N3O4/c1-3-11-23-20-6-4-5-17(12-21(20)27)16-7-9-18(10-8-16)25-14-19(29-22(25)28)13-24-15(2)26/h1,4-10,12,19H,11,13-14H2,2H3,(H,23,27)(H,24,26)	769	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)C3=CC(=O)C(=CC=C3)NCC#C	InChIKey=CQXCEEABNMRESO-UHFFFAOYSA-N
InChI=1S/C12H7ClF3N3O/c13-10-8(11(17)20)5-9(18-19-10)6-1-3-7(4-2-6)12(14,15)16/h1-5H,(H2,17,20)	770	NC(=O)c1cc(nnc1Cl)c2ccc(cc2)C(F)(F)F	InChIKey=KKLCZAZTLFFBPO-UHFFFAOYSA-N
InChI=1S/C12H13ClN4/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11/h1-4,14H,5-8H2	771	Clc1nc2ccccc2nc1N3CCNCC3	InChIKey=MRDAZRADHJDBEF-UHFFFAOYSA-N
InChI=1S/C7H14N2/c1-2-6-3-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9)	772	CCC1CCN=C(N)C1	InChIKey=CTTYZHUIOUHYSM-UHFFFAOYSA-N
InChI=1S/C22H36O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h6-7,10,12,17-18,20,24,26H,4-5,8-9,11,13-16H2,1-3H3/b7-6-,12-10+/t17-,18-,20-,22?/m1/s1	775	CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC\C=C/CCC(=O)OC	InChIKey=CIBHDGPIOICRGX-ZQCHCGQNSA-N
InChI=1S/C10H11NO3/c1-13-10(14-2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)	776	COC1(OC)C(=O)Nc2ccccc12	InChIKey=FYHLRIGARDUGKI-UHFFFAOYSA-N
InChI=1S/C11H10ClNO3/c12-5-7-6-15-11(16-7)8-3-1-2-4-9(8)13-10(11)14/h1-4,7H,5-6H2,(H,13,14)	777	ClCC1COC2(O1)C(=O)Nc3ccccc23	InChIKey=CQNUSAFUUVZRFL-UHFFFAOYSA-N
InChI=1S/C20H27NO6S/c1-15(2)14-18(22)19(23)21-11-7-6-10-17(21)20(24)27-12-13-28(25,26)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3	781	CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c2ccccc2	InChIKey=DRPXNQCDXQSGKP-UHFFFAOYSA-N
InChI=1S/C19H24NO5.BrH/c1-20(2,3)9-5-10-23-12-15-13-6-7-16(21)25-18(13)19(22-4)17-14(15)8-11-24-17;/h6-8,11H,5,9-10,12H2,1-4H3;1H/q+1;/p-1	782	[Br-].COc1c2OC(=O)C=Cc2c(COCCC[N+](C)(C)C)c3ccoc13	InChIKey=SKTSZSCUJGHYBI-UHFFFAOYSA-M
InChI=1S/C12H13N3O4S2/c13-9-5-7-10(8-6-9)21(18,19)15-11-3-1-2-4-12(11)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	783	Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2S(=O)(=O)N	InChIKey=MTYAYRDXCSXATC-UHFFFAOYSA-N
InChI=1S/C12H13FN4/c13-9-1-2-10-11(7-9)15-8-12(16-10)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2	784	Fc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=NMCQXDJTORJDTL-UHFFFAOYSA-N
InChI=1S/C13H16N4O/c1-18-11-4-2-3-10-13(11)15-9-12(16-10)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3	785	COc1cccc2nc(cnc12)N3CCNCC3	InChIKey=MWGKSPVQRPREIR-UHFFFAOYSA-N
InChI=1S/C45H64N10O16/c1-8-17-55(44(70)27-13-11-26(21-46)12-14-27)53-41(67)31-10-9-18-54(31)45(71)36(23(4)5)51-42(68)35(22(2)3)50-40(66)30(20-34(62)63)49-38(64)28(15-16-32(58)59)48-43(69)37(24(6)56)52-39(65)29(19-33(60)61)47-25(7)57/h11-14,22-24,28-31,35-37,56H,8-10,15-20H2,1-7H3,(H,47,57)(H,48,69)(H,49,64)(H,50,66)(H,51,68)(H,52,65)(H,53,67)(H,58,59)(H,60,61)(H,62,63)/t24-,28+,29+,30+,31-,35+,36+,37+/m1/s1	786	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)C#N	InChIKey=NTEASMVUUJNOFR-OAHAANARSA-N
InChI=1S/C44H60F5N9O16/c1-8-13-58(43(73)28-29(45)31(47)33(49)32(48)30(28)46)56-40(70)24-10-9-14-57(24)44(74)35(18(4)5)54-41(71)34(17(2)3)53-39(69)23(16-27(65)66)52-37(67)21(11-12-25(61)62)51-42(72)36(19(6)59)55-38(68)22(15-26(63)64)50-20(7)60/h17-19,21-24,34-36,59H,8-16H2,1-7H3,(H,50,60)(H,51,72)(H,52,67)(H,53,69)(H,54,71)(H,55,68)(H,56,70)(H,61,62)(H,63,64)(H,65,66)/t19-,21+,22+,23+,24-,34+,35+,36+/m1/s1	787	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2c(F)c(F)c(F)c(F)c2F	InChIKey=HFPPEKKPSWSCMJ-PCCNZKBJSA-N
InChI=1S/C46H63F6N9O16/c1-8-13-61(43(76)24-15-25(45(47,48)49)17-26(16-24)46(50,51)52)59-40(73)30-10-9-14-60(30)44(77)35(21(4)5)57-41(74)34(20(2)3)56-39(72)29(19-33(68)69)55-37(70)27(11-12-31(64)65)54-42(75)36(22(6)62)58-38(71)28(18-32(66)67)53-23(7)63/h15-17,20-22,27-30,34-36,62H,8-14,18-19H2,1-7H3,(H,53,63)(H,54,75)(H,55,70)(H,56,72)(H,57,74)(H,58,71)(H,59,73)(H,64,65)(H,66,67)(H,68,69)/t22-,27+,28+,29+,30-,34+,35+,36+/m1/s1	788	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F	InChIKey=NTJKCURZLVYWGQ-CHBIXXAASA-N
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	789	COCCc1ccc(OCC(O)CNC(C)C)cc1	InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N
InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3	790	CCC1CCc2cc3C(=CC(=O)Oc3cc2N1)C(F)(F)F	InChIKey=YNKWXKPDLGJQBC-UHFFFAOYSA-N
InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3	791	CC1(C)CCc2cc3C(=CC(=O)Oc3cc2N1)C(F)(F)F	InChIKey=XCAOBUOTWGIJFB-UHFFFAOYSA-N
InChI=1S/C15H18N2O2S2/c18-14-15(20-9-10-21-15)12-3-1-2-4-13(12)17(14)11-16-5-7-19-8-6-16/h1-4H,5-11H2	792	O=C1N(CN2CCOCC2)c3ccccc3C14SCCS4	InChIKey=NODPYTVIGVCLIU-UHFFFAOYSA-N
InChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)	793	CC1N(Cc2ccccc12)NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N	InChIKey=BHUKYXOYJMLRAK-UHFFFAOYSA-N
InChI=1S/C13H10O5/c14-4-6-17-13-11-9(3-5-16-11)7-8-1-2-10(15)18-12(8)13/h1-3,5,7,14H,4,6H2	794	OCCOc1c2OC(=O)C=Cc2cc3ccoc13	InChIKey=HUPKLLISRSOIBX-UHFFFAOYSA-N
InChI=1S/C18H19NO4.ClH/c1-21-18-16-13(7-10-22-16)14(11-19-8-3-2-4-9-19)12-5-6-15(20)23-17(12)18;/h5-7,10H,2-4,8-9,11H2,1H3;1H	795	Cl.COc1c2OC(=O)C=Cc2c(CN3CCCCC3)c4ccoc14	InChIKey=DTMJPMANJWSPEL-UHFFFAOYSA-N
InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)	796	NS(=O)(=O)c1cccc2ccccc12	InChIKey=ZFIFHAKCBWOSRN-UHFFFAOYSA-N
InChI=1S/C16H10F6O/c17-15(18,19)13(10-4-2-1-3-5-10)14(16(20,21)22)11-6-8-12(23)9-7-11/h1-9,23H/b14-13+	798	Oc1ccc(cc1)\C(=C(\c2ccccc2)/C(F)(F)F)\C(F)(F)F	InChIKey=RTRMULGGHHCQSN-BUHFOSPRSA-N
InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2	799	FC(F)(F)C1=CC(=O)Oc2cc3NCCCc3cc12	InChIKey=XJDJBMLMMBPNGL-UHFFFAOYSA-N
InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	800	NCCc1ccc(cc1)S(=O)(=O)N	InChIKey=FXNSVEQMUYPYJS-UHFFFAOYSA-N
InChI=1S/C18H17ClN4S/c19-13-6-7-15-16(12-13)22-18(24-14-4-2-1-3-5-14)17(21-15)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2	801	Clc1ccc2nc(N3CCNCC3)c(Sc4ccccc4)nc2c1	InChIKey=KFNGYQUIDOPJEE-UHFFFAOYSA-N
InChI=1S/C16H16ClN3O4S/c17-13-6-5-10(7-15(13)25(18,23)24)16(22)19-20-8-11-3-1-2-4-12(11)14(20)9-21/h1-7,14,21H,8-9H2,(H,19,22)(H2,18,23,24)	802	NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2Cc3ccccc3C2CO	InChIKey=SUQAZNUNUJOHJW-UHFFFAOYSA-N
InChI=1S/C12H7ClN4O/c13-11-9(12(15)18)5-10(16-17-11)8-3-1-7(6-14)2-4-8/h1-5H,(H2,15,18)	803	NC(=O)c1cc(nnc1Cl)c2ccc(cc2)C#N	InChIKey=MJSNOYCVFIDYRY-UHFFFAOYSA-N
InChI=1S/C6H12N2/c1-8-5-3-2-4-6(8)7/h7H,2-5H2,1H3	805	CN1CCCCC1=N	InChIKey=SPUOAGXTYHGYSF-UHFFFAOYSA-N
InChI=1S/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)	806	NC1=NC(CC2CCCCC2)CCC1	InChIKey=GFAXMTCFGXNOQD-UHFFFAOYSA-N
InChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)	807	NC1=NC(Cc2ccccc2)CCC1	InChIKey=SGCVJGBIFFHASJ-UHFFFAOYSA-N
InChI=1S/C18H21BrO2/c1-2-17(13-3-7-15(20)8-4-13)18(11-12-19)14-5-9-16(21)10-6-14/h3-10,17-18,20-21H,2,11-12H2,1H3	808	CCC(C(CCBr)c1ccc(O)cc1)c2ccc(O)cc2	InChIKey=RLVGNSZBYNJPGU-UHFFFAOYSA-N
InChI=1S/C14H9F6NO2/c15-13(16,17)8-1-2-21-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(22)23-11/h3-5,8,21H,1-2H2	809	FC(F)(F)C1CCNc2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=NRQQDFFSJPVQFQ-UHFFFAOYSA-N
InChI=1S/C12H9Cl2N3O/c1-6-9(12(15)18)11(14)17-16-10(6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H2,15,18)	810	Cc1c(C(=O)N)c(Cl)nnc1c2ccc(Cl)cc2	InChIKey=NXMIQLZKAHCYCN-UHFFFAOYSA-N
InChI=1S/C11H10N4OS/c1-17-11-8(10(12)16)6-9(14-15-11)7-2-4-13-5-3-7/h2-6H,1H3,(H2,12,16)	811	CSc1nnc(cc1C(=O)N)c2ccncc2	InChIKey=LDCYJSWHASKUSX-UHFFFAOYSA-N
InChI=1S/C22H30N2O3/c1-17-15-20(27-24-17)9-7-5-4-6-8-14-25-19-12-10-18(11-13-19)21-23-22(2,3)16-26-21/h10-13,15H,4-9,14,16H2,1-3H3	812	Cc1cc(CCCCCCCOc2ccc(cc2)C3=NC(C)(C)CO3)on1	InChIKey=UZNYBPPIYOHJBB-UHFFFAOYSA-N
InChI=1S/C24H30N2O2S2/c1-7-28-21(27)16-8-10-17(11-9-16)25-22(29)26-19-13-18-20(12-15(19)2)30-24(5,6)14-23(18,3)4/h8-13H,7,14H2,1-6H3,(H2,25,26,29)	813	CCOC(=O)c1ccc(N\C(=N\c2cc3c(SC(C)(C)CC3(C)C)cc2C)\S)cc1	InChIKey=PEDXWASSKCBZSV-UHFFFAOYSA-N
InChI=1S/C40H61Cl4N9O17/c1-8-13-53(39(69)70-38(41)40(42,43)44)51-34(65)24-10-9-14-52(24)37(68)29(18(4)5)49-35(66)28(17(2)3)48-33(64)23(16-27(60)61)47-31(62)21(11-12-25(56)57)46-36(67)30(19(6)54)50-32(63)22(15-26(58)59)45-20(7)55/h17-19,21-24,28-30,38,54H,8-16H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t19-,21+,22+,23+,24-,28+,29+,30+,38?/m1/s1	815	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl	InChIKey=YTZPTXBHHHROKG-KJDAPUDISA-N
InChI=1S/C40H62Cl3N9O17/c1-8-13-52(39(68)69-17-40(41,42)43)50-35(64)25-10-9-14-51(25)38(67)30(19(4)5)48-36(65)29(18(2)3)47-34(63)24(16-28(59)60)46-32(61)22(11-12-26(55)56)45-37(66)31(20(6)53)49-33(62)23(15-27(57)58)44-21(7)54/h18-20,22-25,29-31,53H,8-17H2,1-7H3,(H,44,54)(H,45,66)(H,46,61)(H,47,63)(H,48,65)(H,49,62)(H,50,64)(H,55,56)(H,57,58)(H,59,60)/t20-,22+,23+,24+,25-,29+,30+,31+/m1/s1	816	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCC(Cl)(Cl)Cl	InChIKey=LCMDIWJJNRUJBV-ZYZBBMSPSA-N
InChI=1S/C39H62ClN9O16/c1-8-13-49(26(52)17-40)47-36(62)25-10-9-14-48(25)39(65)31(19(4)5)45-37(63)30(18(2)3)44-35(61)24(16-29(57)58)43-33(59)22(11-12-27(53)54)42-38(64)32(20(6)50)46-34(60)23(15-28(55)56)41-21(7)51/h18-20,22-25,30-32,50H,8-17H2,1-7H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23+,24+,25-,30+,31+,32+/m1/s1	817	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)CCl	InChIKey=BBCTXECQSODUJA-UVTIEPFQSA-N
InChI=1S/C35H41NO10/c1-17-16-20(37)36-22-18(17)10-11-19-21(22)23(42-27(40)34-14-12-32(8,25(38)45-34)30(34,4)5)24(29(2,3)44-19)43-28(41)35-15-13-33(9,26(39)46-35)31(35,6)7/h10-11,16,23-24H,12-15H2,1-9H3,(H,36,37)/t23-,24-,32?,33?,34?,35?/m1/s1	818	Cc1cc(O)nc2c3[C@@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)[C@@H](OC(=O)C67CCC(C)(C(=O)O6)C7(C)C)C(C)(C)Oc3ccc12	InChIKey=QUNWSCRURXSLAV-QFSSIGTRSA-N
InChI=1S/C15H9F8NO2/c16-13(17,15(21,22)23)8-1-2-24-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(25)26-11/h3-5,8,24H,1-2H2	819	FC(F)(F)C1=CC(=O)Oc2cc3NCCC(c3cc12)C(F)(F)C(F)(F)F	InChIKey=YRBHIOJIJNNVRF-UHFFFAOYSA-N
InChI=1S/C44H65N9O17/c1-8-18-53(44(69)70-26-13-10-9-11-14-26)51-40(65)30-15-12-19-52(30)43(68)35(23(4)5)49-41(66)34(22(2)3)48-39(64)29(21-33(60)61)47-37(62)27(16-17-31(56)57)46-42(67)36(24(6)54)50-38(63)28(20-32(58)59)45-25(7)55/h9-11,13-14,22-24,27-30,34-36,54H,8,12,15-21H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t24-,27+,28+,29+,30-,34+,35+,36+/m1/s1	820	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccccc2	InChIKey=NRDWCPRAYPDIAV-PFPONLIYSA-N
InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3	821	CN1Cc2c(ncn2c3ccc(Cl)cc3C1=O)C(=O)OCC4CC4	InChIKey=DRCWBQAOFNLXIV-UHFFFAOYSA-N
InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	822	CC(C)NCC(O)COc1ccccc1CC=C	InChIKey=PAZJSJFMUHDSTF-UHFFFAOYSA-N
InChI=1S/C16H14F3NO2/c1-8-7-15(2,3)20-12-6-13-10(4-9(8)12)11(16(17,18)19)5-14(21)22-13/h4-7,20H,1-3H3	823	CC1=CC(C)(C)Nc2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=NMPSQLMXBXAXQZ-UHFFFAOYSA-N
InChI=1S/C16H16F3NO2/c1-3-9-4-5-20(2)13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9H,3-5H2,1-2H3	824	CCC1CCN(C)c2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=UJFDYZLNPGPIRM-UHFFFAOYSA-N
InChI=1S/C13H16N4/c1-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3	825	Cc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=VZRMVMFMDCZHGA-UHFFFAOYSA-N
InChI=1S/C26H23N5O2/c1-3-14-31(17-19-7-12-24-23(15-19)26(33)30-18(2)29-24)22-10-8-20(9-11-22)25(32)28-16-21-6-4-5-13-27-21/h1,4-13,15H,14,16-17H2,2H3,(H,28,32)(H,29,30,33)	826	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4ccccn4)ccc2n1	InChIKey=NOSAAJVWVAGBEH-UHFFFAOYSA-N
InChI=1S/C16H16F3NO2/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9,20H,2-5H2,1H3	828	CCCC1CCNc2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=VTRALRXIBUAIMP-UHFFFAOYSA-N
InChI=1S/C22H23NO6S/c24-20(17-9-3-1-4-10-17)21(25)23-14-8-7-13-19(23)22(26)29-15-16-30(27,28)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2	829	O=C(OCCS(=O)(=O)c1ccccc1)C2CCCCN2C(=O)C(=O)c3ccccc3	InChIKey=HOYLKJZZXSKKOL-UHFFFAOYSA-N
InChI=1S/C20H28N2O4/c1-20(2,3)17(23)18(24)22-12-5-4-10-16(22)19(25)26-13-7-9-15-8-6-11-21-14-15/h6,8,11,14,16H,4-5,7,9-10,12-13H2,1-3H3	830	CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc2cccnc2	InChIKey=VTMOQECMEVAMGR-UHFFFAOYSA-N
InChI=1S/C13H13N5/c14-8-10-1-2-11-12(7-10)16-9-13(17-11)18-5-3-15-4-6-18/h1-2,7,9,15H,3-6H2	831	N#Cc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=CJYRCGCHBUJFCY-UHFFFAOYSA-N
InChI=1S/C12H13FN4/c13-9-2-1-3-10-12(9)15-8-11(16-10)17-6-4-14-5-7-17/h1-3,8,14H,4-7H2	832	Fc1cccc2nc(cnc12)N3CCNCC3	InChIKey=CTGIFZVUWYHKBU-UHFFFAOYSA-N
InChI=1S/C12H13ClN4/c13-9-2-1-3-10-12(9)15-8-11(16-10)17-6-4-14-5-7-17/h1-3,8,14H,4-7H2	833	Clc1cccc2nc(cnc12)N3CCNCC3	InChIKey=KORBCJIHDGIPOA-UHFFFAOYSA-N
InChI=1S/C28H24N4O4/c1-3-13-32(17-20-7-12-25-24(15-20)27(34)31-18(2)30-25)23-10-8-21(9-11-23)26(33)29-16-19-5-4-6-22(14-19)28(35)36/h1,4-12,14-15H,13,16-17H2,2H3,(H,29,33)(H,35,36)(H,30,31,34)	834	Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NCc4cccc(c4)C(=O)O)ccc2n1	InChIKey=IWTLSNQWFCQMPR-UHFFFAOYSA-N
InChI=1S/C10H7ClN4O/c11-9-7(10(12)16)5-8(14-15-9)6-1-3-13-4-2-6/h1-5H,(H2,12,16)	835	NC(=O)c1cc(nnc1Cl)c2ccncc2	InChIKey=WFMVJXMPCFFSTK-UHFFFAOYSA-N
InChI=1S/C18H25NO7S/c1-10-9-27(23,24)14-11(8-25-16(22)17(2,3)4)13(20)19(14)12(10)15(21)26-18(5,6)7/h8,14H,9H2,1-7H3/b11-8+/t14-/m1/s1	837	CC1=C(N2[C@@H](\C(=C\OC(=O)C(C)(C)C)\C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C	InChIKey=XRJJFQMGDYFIMT-BMGYJQCNSA-N
InChI=1S/C9H17N/c1-6-7-3-4-8(5-7)9(6)10-2/h6-10H,3-5H2,1-2H3	838	CNC1C(C)C2CCC1C2	InChIKey=SRSJBDRTSTTYEE-UHFFFAOYSA-N
InChI=1S/C12H23N/c1-11(2)9-6-7-10(8-9)12(11,3)13(4)5/h9-10H,6-8H2,1-5H3	839	CN(C)C1(C)C2CCC(C2)C1(C)C	InChIKey=QEYHZXNEIGHKAV-UHFFFAOYSA-N
InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m1/s1	840	COc1ccc(OC)c(C[C@@H](C)N)c1	InChIKey=LATVFYDIBMDBSY-MRVPVSSYSA-N
InChI=1S/C19H17F3N4S/c20-19(21,22)13-6-7-15-16(12-13)25-18(27-14-4-2-1-3-5-14)17(24-15)26-10-8-23-9-11-26/h1-7,12,23H,8-11H2	841	FC(F)(F)c1ccc2nc(N3CCNCC3)c(Sc4ccccc4)nc2c1	InChIKey=OBRJYVVLWMQMIE-UHFFFAOYSA-N
InChI=1S/C19H24NO4.ClH/c1-5-20(6-2,7-3)12-15-13-8-9-16(21)24-18(13)19(22-4)17-14(15)10-11-23-17;/h8-11H,5-7,12H2,1-4H3;1H/q+1;/p-1	842	[Cl-].CC[N+](CC)(CC)Cc1c2C=CC(=O)Oc2c(OC)c3occc13	InChIKey=BAMFJGIOJAXVBP-UHFFFAOYSA-M
InChI=1S/C21H25N3O2S2/c1-13-10-15(24(25)26)7-8-17(13)23-19(27)22-14-6-9-18-16(11-14)20(2,3)12-21(4,5)28-18/h6-11H,12H2,1-5H3,(H2,22,23,27)	845	Cc1cc(ccc1\N=C(/S)\Nc2ccc3SC(C)(C)CC(C)(C)c3c2)[N+](=O)[O-]	InChIKey=CMVYAMQKLILTCP-UHFFFAOYSA-N
InChI=1S/C20H23N3O2S2/c1-19(2)12-20(3,4)27-17-10-7-14(11-16(17)19)22-18(26)21-13-5-8-15(9-6-13)23(24)25/h5-11H,12H2,1-4H3,(H2,21,22,26)	846	CC1(C)CC(C)(C)c2cc(N\C(=N\c3ccc(cc3)[N+](=O)[O-])\S)ccc2S1	InChIKey=FWWKIYPMUZVMQG-UHFFFAOYSA-N
InChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/t7-;/m0./s1	847	Cl.C[C@H](N)Cc1c2occc2c(c3occc13)C(F)(F)F	InChIKey=OOIFSTYDVQDIPJ-FJXQXJEOSA-N
InChI=1S/C16H16ClN3O3/c1-9(2)23-16(22)14-13-7-19(3)15(21)11-6-10(17)4-5-12(11)20(13)8-18-14/h4-6,8-9H,7H2,1-3H3	848	CC(C)OC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23	InChIKey=AEEODWYIEWWPHZ-UHFFFAOYSA-N
InChI=1S/C16H16ClN3O3/c1-3-6-23-16(22)14-13-8-19(2)15(21)11-7-10(17)4-5-12(11)20(13)9-18-14/h4-5,7,9H,3,6,8H2,1-2H3	849	CCCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23	InChIKey=QTSYRLXDMNGLSF-UHFFFAOYSA-N
InChI=1S/C18H21FO2/c1-2-17(13-3-7-15(20)8-4-13)18(11-12-19)14-5-9-16(21)10-6-14/h3-10,17-18,20-21H,2,11-12H2,1H3	850	CCC(C(CCF)c1ccc(O)cc1)c2ccc(O)cc2	InChIKey=WJHRTUIAPLGNMC-UHFFFAOYSA-N
InChI=1S/C18H21ClO2/c1-2-17(13-3-7-15(20)8-4-13)18(11-12-19)14-5-9-16(21)10-6-14/h3-10,17-18,20-21H,2,11-12H2,1H3	851	CCC(C(CCCl)c1ccc(O)cc1)c2ccc(O)cc2	InChIKey=YRQVDOXOSANGJQ-UHFFFAOYSA-N
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+	853	C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C	InChIKey=AKJHMTWEGVYYSE-FXILSDISSA-N
InChI=1S/C33H50O6/c1-19-14-23(19)12-10-8-7-9-11-13-26(35)39-32-16-21(3)33(38)25-15-20(2)29(36)31(25,37)17-24(18-34)22(4)27(33)28(32)30(32,5)6/h15,19,21,23,25,27-28,34,37-38H,7-14,16-18H2,1-6H3/t19-,21+,23-,25?,27-,28+,31+,32-,33-/m0/s1	854	C[C@H]1C[C@@H]1CCCCCCCC(=O)O[C@@]23C[C@@H](C)[C@@]4(O)[C@H]([C@@H]2C3(C)C)C(=C(CO)C[C@@]5(O)C4C=C(C)C5=O)C	InChIKey=HYMYZKAGLLSVMV-ZRBIGWEPSA-N
InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3	855	CCC1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2	InChIKey=PZDSRPCFNWOUFP-UHFFFAOYSA-N
InChI=1S/C40H49NO12/c1-20-19-23(42)41(32(47)53-33(2,3)4)25-21(20)13-14-22-24(25)26(48-30(45)39-17-15-37(11,28(43)51-39)35(39,7)8)27(34(5,6)50-22)49-31(46)40-18-16-38(12,29(44)52-40)36(40,9)10/h13-14,19,26-27H,15-18H2,1-12H3/t26-,27-,37?,38?,39?,40?/m1/s1	856	CC1=CC(=O)N(C(=O)OC(C)(C)C)c2c3[C@@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)[C@@H](OC(=O)C67CCC(C)(C(=O)O6)C7(C)C)C(C)(C)Oc3ccc12	InChIKey=SEHKMSRRJOLHJA-CFOKTJJSSA-N
InChI=1S/C36H43NO10/c1-17-18(2)25(38)37-22-19(17)11-12-20-21(22)23(43-28(41)35-15-13-33(9,26(39)46-35)31(35,5)6)24(30(3,4)45-20)44-29(42)36-16-14-34(10,27(40)47-36)32(36,7)8/h11-12,23-24H,13-16H2,1-10H3,(H,37,38)/t23-,24-,33?,34?,35?,36?/m1/s1	857	Cc1c(C)c2ccc3OC(C)(C)[C@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)[C@H](OC(=O)C67CCC(C)(C(=O)O6)C7(C)C)c3c2nc1O	InChIKey=ASKPTLJBMCNNKG-QYWJQYFGSA-N
InChI=1S/C34H38O11/c1-28(2)23(42-27(39)34-16-14-32(8,25(37)45-34)30(34,5)6)22(20-18(43-28)11-9-17-10-12-19(35)40-21(17)20)41-26(38)33-15-13-31(7,24(36)44-33)29(33,3)4/h9-12,22-23H,13-16H2,1-8H3/t22-,23-,31?,32?,33?,34?/m1/s1	858	CC1(C)Oc2ccc3C=CC(=O)Oc3c2[C@@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)[C@H]1OC(=O)C67CCC(C)(C(=O)O6)C7(C)C	InChIKey=ZJIDTNTWJHYPGM-MRAUNTDJSA-N
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	860	CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2	InChIKey=RGLYKWWBQGJZGM-ISLYRVAYSA-N
InChI=1S/C12H11N3O3S/c1-14-5-8-9(12(17)18-2)13-6-15(8)7-3-4-19-10(7)11(14)16/h3-4,6H,5H2,1-2H3	861	COC(=O)c1ncn2c1CN(C)C(=O)c3sccc23	InChIKey=NTYBXVOZFGOCCH-UHFFFAOYSA-N
InChI=1S/C20H28N2O4/c1-15(2)13-18(23)19(24)22-11-4-3-9-17(22)20(25)26-12-6-8-16-7-5-10-21-14-16/h5,7,10,14-15,17H,3-4,6,8-9,11-13H2,1-2H3	862	CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc2cccnc2	InChIKey=JYSZKROENALEDO-UHFFFAOYSA-N
InChI=1S/C22H24N2O4/c25-20(18-10-2-1-3-11-18)21(26)24-14-5-4-12-19(24)22(27)28-15-7-9-17-8-6-13-23-16-17/h1-3,6,8,10-11,13,16,19H,4-5,7,9,12,14-15H2	863	O=C(OCCCc1cccnc1)C2CCCCN2C(=O)C(=O)c3ccccc3	InChIKey=QDJFUMQNAWRXOP-UHFFFAOYSA-N
InChI=1S/C16H16F3NO2/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(21)22-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3	864	CCC1Nc2cc3OC(=O)C=C(c3cc2CC1C)C(F)(F)F	InChIKey=GTZWEKOQKQIWQD-UHFFFAOYSA-N
InChI=1S/C44H64ClN9O17/c1-8-17-54(44(70)71-26-13-11-25(45)12-14-26)52-40(66)30-10-9-18-53(30)43(69)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	865	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccc(Cl)cc2	InChIKey=OUSIUPACNLAOCH-SNXMAQIISA-N
InChI=1S/C44H64N10O19/c1-8-17-53(44(70)73-30-14-10-9-12-28(30)54(71)72)51-40(66)29-13-11-18-52(29)43(69)35(22(4)5)49-41(67)34(21(2)3)48-39(65)27(20-33(61)62)47-37(63)25(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)26(19-32(59)60)45-24(7)56/h9-10,12,14,21-23,25-27,29,34-36,55H,8,11,13,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,25+,26+,27+,29-,34+,35+,36+/m1/s1	866	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccccc2[N+](=O)[O-]	InChIKey=MKQSTFVMNIZSOJ-MQQAQDHQSA-N
InChI=1S/C44H64N10O19/c1-8-17-53(44(70)73-26-13-11-25(12-14-26)54(71)72)51-40(66)30-10-9-18-52(30)43(69)35(22(4)5)49-41(67)34(21(2)3)48-39(65)29(20-33(61)62)47-37(63)27(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)28(19-32(59)60)45-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	867	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=MQBSPHKUEZQPIL-SNXMAQIISA-N
InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3	868	CCOC(=O)c1ncn2c1CN(C)C(=O)c3ccccc23	InChIKey=HNGRWUCKESPKRC-UHFFFAOYSA-N
InChI=1S/C14H12O5/c1-16-7-10-8-3-4-11(15)19-13(8)14(17-2)12-9(10)5-6-18-12/h3-6H,7H2,1-2H3	869	COCc1c2C=CC(=O)Oc2c(OC)c3occc13	InChIKey=ADISAXBOSWJNRL-UHFFFAOYSA-N
InChI=1S/C18H21IO2/c1-2-17(13-3-7-15(20)8-4-13)18(11-12-19)14-5-9-16(21)10-6-14/h3-10,17-18,20-21H,2,11-12H2,1H3	870	CCC(C(CCI)c1ccc(O)cc1)c2ccc(O)cc2	InChIKey=KMOUPDMGFJLHJS-UHFFFAOYSA-N
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3	871	CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O	InChIKey=VOXZDWNPVJITMN-UHFFFAOYSA-N
InChI=1S/C14H15ClN4O/c1-10(20)18-4-6-19(7-5-18)14-9-16-13-8-11(15)2-3-12(13)17-14/h2-3,8-9H,4-7H2,1H3	872	CC(=O)N1CCN(CC1)c2cnc3cc(Cl)ccc3n2	InChIKey=ZYOCJNMYJDMCGS-UHFFFAOYSA-N
InChI=1S/C13H15ClN4/c1-17-4-6-18(7-5-17)13-9-15-12-8-10(14)2-3-11(12)16-13/h2-3,8-9H,4-7H2,1H3	873	CN1CCN(CC1)c2cnc3cc(Cl)ccc3n2	InChIKey=CSBHRDWXCQKDLZ-UHFFFAOYSA-N
InChI=1S/C13H16N4O2S/c1-20(18,19)10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3	874	CS(=O)(=O)c1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=CMJUZQRRQIYKRU-UHFFFAOYSA-N
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10?,11-,15-/m1/s1	875	CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccccc3)C2=O)C(=O)O	InChIKey=ZAIPMKNFIOOWCQ-HUFXEGEASA-N
InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)	876	Nc1nccc(Nc2ccc(cc2)S(=O)(=O)N)n1	InChIKey=QOAXQANKSMHFKJ-UHFFFAOYSA-N
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12?,13?,14+,15-,16-,17-/m1/s1	877	CCO[C@H]1O[C@@H]2O[C@@]3(C)CCC4[C@H](C)CCC([C@H]1C)[C@@]24OO3	InChIKey=NLYNIRQVMRLPIQ-NFCUVNJBSA-N
InChI=1S/C13H10O5/c1-16-13-11-8(4-5-17-11)9(6-14)7-2-3-10(15)18-12(7)13/h2-5,14H,6H2,1H3	878	COc1c2OC(=O)C=Cc2c(CO)c3ccoc13	InChIKey=BMOUFGSYQMAJTB-UHFFFAOYSA-N
InChI=1S/C18H20N2O4.ClH/c1-19-6-8-20(9-7-19)11-14-12-3-4-15(21)24-17(12)18(22-2)16-13(14)5-10-23-16;/h3-5,10H,6-9,11H2,1-2H3;1H	879	Cl.COc1c2OC(=O)C=Cc2c(CN3CCN(C)CC3)c4ccoc14	InChIKey=ZGLBJNQPVMVUIX-UHFFFAOYSA-N
InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3	880	CNC1(C)C2CCC(C2)C1(C)C	InChIKey=IMYZQPCYWPFTAG-UHFFFAOYSA-N
InChI=1S/C10H19N/c1-10(2)8-5-4-7(6-8)9(10)11-3/h7-9,11H,4-6H2,1-3H3	881	CNC1C2CCC(C2)C1(C)C	InChIKey=CQCDYXIFOXRWDK-UHFFFAOYSA-N
InChI=1S/C18H20N4O3S/c1-4-25-18-12-11-17(19-20-18)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-12H,4H2,1-3H3,(H,19,21)	882	CCOc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1	InChIKey=QWTLDQHYZZGSAB-UHFFFAOYSA-N
InChI=1S/C17H18N4O3S/c1-21(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20-16-10-11-17(24-3)19-18-16/h4-11H,1-3H3,(H,18,20)	883	COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1	InChIKey=DMZKKCRZCZZBAT-UHFFFAOYSA-N
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)	884	Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N	InChIKey=IHJCXVZDYSXXFT-UHFFFAOYSA-N
InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)	885	NS(=O)(=O)c1nc2ccc(O)cc2s1	InChIKey=NOOBQTYVTDBXTL-UHFFFAOYSA-N
InChI=1S/C12H14N4O/c17-9-1-2-10-11(7-9)14-8-12(15-10)16-5-3-13-4-6-16/h1-2,7-8,13,17H,3-6H2	886	Oc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=KYFDYSTWCFITTH-UHFFFAOYSA-N
InChI=1S/C11H21N/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9,12H,5-7H2,1-4H3	887	CNC1CC2CCC1(C)C2(C)C	InChIKey=QOMPVDMDFNUBOI-UHFFFAOYSA-N
InChI=1S/C8H15N/c1-9-8-5-6-2-3-7(8)4-6/h6-9H,2-5H2,1H3	890	CNC1CC2CCC1C2	InChIKey=RNIJSZGJNGTOTB-UHFFFAOYSA-N
InChI=1S/C42H66Cl3N9O17/c1-10-15-54(40(70)71-41(8,9)42(43,44)45)52-36(66)26-12-11-16-53(26)39(69)31(20(4)5)50-37(67)30(19(2)3)49-35(65)25(18-29(61)62)48-33(63)23(13-14-27(57)58)47-38(68)32(21(6)55)51-34(64)24(17-28(59)60)46-22(7)56/h19-21,23-26,30-32,55H,10-18H2,1-9H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t21-,23+,24+,25+,26-,30+,31+,32+/m1/s1	891	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(C)(C)C(Cl)(Cl)Cl	InChIKey=ZRRBFQWDNYWGBK-POVHYMBBSA-N
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H	892	[Cl-].C[N+](C)(C)CCOC(=O)N	InChIKey=AIXAANGOTKPUOY-UHFFFAOYSA-N
InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3	893	COC(=O)C1=CCCNC1	InChIKey=DYPLDWLIOGXSSE-UHFFFAOYSA-N
InChI=1S/C22H36O6/c1-22(27,13-7-8-15-23)14-9-11-18-17(19(24)16-20(18)25)10-5-3-4-6-12-21(26)28-2/h3-4,9,11,17-18,20,23,25,27H,5-8,10,12-16H2,1-2H3/b4-3-,11-9+/t17-,18-,20-,22?/m1/s1	894	COC(=O)CC\C=C/CC[C@@H]1[C@@H](\C=C\CC(C)(O)CCCCO)[C@H](O)CC1=O	InChIKey=QFVICZQJYDDAAR-PYQODSEPSA-N
InChI=1S/C22H23N3O4/c1-3-11-23-20-6-4-5-17(12-21(20)27)16-7-9-18(10-8-16)25-14-19(29-22(25)28)13-24-15(2)26/h3-10,12,19H,1,11,13-14H2,2H3,(H,23,27)(H,24,26)	896	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)C3=CC(=O)C(=CC=C3)NCC=C	InChIKey=GQGPWIWCECCZLF-UHFFFAOYSA-N
InChI=1S/C36H52N8O14/c1-7-16-43(36(55)58-23-12-10-22(11-13-23)44(56)57)41-33(52)26-9-8-17-42(26)35(54)30(20(4)5)40-34(53)29(19(2)3)39-32(51)25(18-28(48)49)38-31(50)24(37-21(6)45)14-15-27(46)47/h10-13,19-20,24-26,29-30H,7-9,14-18H2,1-6H3,(H,37,45)(H,38,50)(H,39,51)(H,40,53)(H,41,52)(H,46,47)(H,48,49)/t24-,25-,26+,29-,30-/m0/s1	897	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=OKRFHYPBASVVOM-SBQCDYCGSA-N
InChI=1S/C40H59N9O16/c1-8-17-48(40(62)65-25-13-11-24(12-14-25)49(63)64)46-36(58)28-10-9-18-47(28)39(61)32(21(4)5)45-37(59)31(20(2)3)44-35(57)27(19-30(54)55)43-34(56)26(15-16-29(52)53)42-38(60)33(22(6)50)41-23(7)51/h11-14,20-22,26-28,31-33,50H,8-10,15-19H2,1-7H3,(H,41,51)(H,42,60)(H,43,56)(H,44,57)(H,45,59)(H,46,58)(H,52,53)(H,54,55)/t22-,26+,27+,28-,31+,32+,33+/m1/s1	898	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=VTYMYWVZWBJVJC-FAFZIYIWSA-N
InChI=1S/C45H65N9O19/c1-8-10-28(45(70)73-26-14-12-25(13-15-26)54(71)72)48-41(66)31-11-9-18-53(31)44(69)36(22(4)5)51-42(67)35(21(2)3)50-40(65)30(20-34(61)62)49-38(63)27(16-17-32(57)58)47-43(68)37(23(6)55)52-39(64)29(19-33(59)60)46-24(7)56/h12-15,21-23,27-31,35-37,55H,8-11,16-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,66)(H,49,63)(H,50,65)(H,51,67)(H,52,64)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28?,29+,30+,31-,35+,36+,37+/m1/s1	899	CCCC(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc2ccc(cc2)[N+](=O)[O-]	InChIKey=ILAIPXWMUKVTHN-YEWDDXQUSA-N
InChI=1S/C9H12N2O2.ClH/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9;/h2,10H,1,3-6H2;1H	900	Cl.C=CCOc1noc2CCNCc12	InChIKey=OHZDCLVTEMUSFX-UHFFFAOYSA-N
InChI=1S/C13H14N2O2.ClH/c1-2-4-10(5-3-1)9-16-13-11-8-14-7-6-12(11)17-15-13;/h1-5,14H,6-9H2;1H	901	Cl.C(Oc1noc2CCNCc12)c3ccccc3	InChIKey=KNQQDOUAUHGRHW-UHFFFAOYSA-N
InChI=1S/C9H14N2O2.ClH/c1-3-11-5-4-8-7(6-11)9(12-2)10-13-8;/h3-6H2,1-2H3;1H	902	Cl.CCN1CCc2onc(OC)c2C1	InChIKey=NXWHMHNUXVMTKI-UHFFFAOYSA-N
InChI=1S/C12H13N5O2/c18-17(19)9-1-2-10-11(7-9)14-8-12(15-10)16-5-3-13-4-6-16/h1-2,7-8,13H,3-6H2	903	[O-][N+](=O)c1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=BGTFKMGKEHWOMQ-UHFFFAOYSA-N
InChI=1S/C15H16FN5/c1-2-7-17-14-13-15(19-9-18-14)21(10-20-13)8-11-5-3-4-6-12(11)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19)	905	CCCNc1ncnc2c1ncn2Cc3ccccc3F	InChIKey=XZRCEMJFEXZVTA-UHFFFAOYSA-N
InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3	906	CN1Cc2c(ncn2c3ccsc3C1=O)C(=O)OC(C)(C)C	InChIKey=ZIGMMUKDYCABPW-UHFFFAOYSA-N
InChI=1S/C19H24N6O3/c1-19(2,3)28-18(27)16-15-10-24(6)17(26)13-9-12(21-22-23(4)5)7-8-14(13)25(15)11-20-16/h7-9,11H,10H2,1-6H3	907	CN(C)N=Nc1ccc2c(c1)C(=O)N(C)Cc3c(ncn23)C(=O)OC(C)(C)C	InChIKey=HZWIRYNNPCVNQT-QURGRASLSA-N
InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3	908	CN1Cc2c(ncn2c3ccc(cc3C1=O)N=C=S)C(=O)OC(C)(C)C	InChIKey=UYPWOMKFYXODIW-UHFFFAOYSA-N
InChI=1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23?,25-,28-,29+,30-/m1/s1	909	C[C@@H]1C[C@]2(OC(=O)Cc3ccccc3)[C@H]([C@@H]4C=C(COC(=O)C)C[C@@]5(O)C(C=C(C)C5=O)[C@@]14O)C2(C)C	InChIKey=MEDVHSNRBPAIPU-OCCWHXBISA-N
InChI=1S/C50H69N9O16/c1-8-22-59(49(74)32-18-16-31(17-19-32)30-13-10-9-11-14-30)57-46(71)36-15-12-23-58(36)50(75)41(27(4)5)55-47(72)40(26(2)3)54-45(70)35(25-39(66)67)53-43(68)33(20-21-37(62)63)52-48(73)42(28(6)60)56-44(69)34(24-38(64)65)51-29(7)61/h9-11,13-14,16-19,26-28,33-36,40-42,60H,8,12,15,20-25H2,1-7H3,(H,51,61)(H,52,73)(H,53,68)(H,54,70)(H,55,72)(H,56,69)(H,57,71)(H,62,63)(H,64,65)(H,66,67)/t28-,33+,34+,35+,36-,40+,41+,42+/m1/s1	912	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)c3ccccc3	InChIKey=YEFHNGFTBDKXBC-FZIRJUHISA-N
InChI=1S/C50H68N12O18/c1-8-21-61(49(77)29-11-13-30(14-12-29)57-58-31-15-17-32(18-16-31)62(79)80)59-46(74)36-10-9-22-60(36)50(78)41(26(4)5)55-47(75)40(25(2)3)54-45(73)35(24-39(69)70)53-43(71)33(19-20-37(65)66)52-48(76)42(27(6)63)56-44(72)34(23-38(67)68)51-28(7)64/h11-18,25-27,33-36,40-42,63H,8-10,19-24H2,1-7H3,(H,51,64)(H,52,76)(H,53,71)(H,54,73)(H,55,75)(H,56,72)(H,59,74)(H,65,66)(H,67,68)(H,69,70)/b58-57-/t27-,33+,34+,35+,36-,40+,41+,42+/m1/s1	913	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)N=Nc3ccc(cc3)[N+](=O)[O-]	InChIKey=QTBBQYWWGOKLHG-DQYVZNEBSA-N
InChI=1S/C44H64FN9O18S/c1-8-17-54(43(69)25-11-13-26(14-12-25)73(45,71)72)52-40(66)30-10-9-18-53(30)44(70)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	914	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)S(=O)(=O)F	InChIKey=QXULOGYJVMSJSZ-SNXMAQIISA-N
InChI=1S/C40H43ClN2O18S/c1-15-30(46)19(42-38(53)58-13-16-14-62(55,56)36-28(41)35(51)43(36)29(16)37(52)61-39(2,3)4)9-23(59-15)60-21-11-40(54,22(45)12-44)10-18-25(21)34(50)27-26(32(18)48)31(47)17-7-6-8-20(57-5)24(17)33(27)49/h6-8,15,19,21,23,28,30,36,44,46,48,50,54H,9-14H2,1-5H3,(H,42,53)/t15-,19-,21-,23-,28+,30-,36-,40-/m0/s1	917	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)OCC6=C(N7[C@H]([C@H](Cl)C7=O)S(=O)(=O)C6)C(=O)OC(C)(C)C)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	InChIKey=FWDRIGJFHRDFQZ-FDGPNNKWSA-N
InChI=1S/C44H65N9O16S/c1-8-18-53(44(69)70-26-13-10-9-11-14-26)51-40(65)30-15-12-19-52(30)43(68)35(23(4)5)49-41(66)34(22(2)3)48-39(64)29(21-33(60)61)47-37(62)27(16-17-31(56)57)46-42(67)36(24(6)54)50-38(63)28(20-32(58)59)45-25(7)55/h9-11,13-14,22-24,27-30,34-36,54H,8,12,15-21H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t24-,27+,28+,29+,30-,34+,35+,36+/m1/s1	918	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Sc2ccccc2	InChIKey=BWPMQPICHWVGBM-PFPONLIYSA-N
InChI=1S/C44H64ClN9O16S/c1-8-17-54(44(70)71-26-13-11-25(45)12-14-26)52-40(66)30-10-9-18-53(30)43(69)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	919	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)Sc2ccc(Cl)cc2	InChIKey=VULRHKJVSPXIMU-SNXMAQIISA-N
InChI=1S/C14H14FN5/c1-2-16-13-12-14(18-8-17-13)20(9-19-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)	920	CCNc1ncnc2c1ncn2Cc3ccccc3F	InChIKey=UIUUZMMHQPNEMB-UHFFFAOYSA-N
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)	921	O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3	InChIKey=CXOFVDLJLONNDW-UHFFFAOYSA-N
InChI=1S/C19H32N2O4/c1-14(13-20-10-6-5-7-11-20)25-18(24)15-9-8-12-21(15)17(23)16(22)19(2,3)4/h14-15H,5-13H2,1-4H3/t14?,15-/m0/s1	922	CC(CN1CCCCC1)OC(=O)[C@@H]2CCCN2C(=O)C(=O)C(C)(C)C	InChIKey=ZXLCGASABXGHLF-LOACHALJSA-N
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	923	CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O	InChIKey=QFJCIRLUMZQUOT-HPLJOQBZSA-N
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	924	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC	InChIKey=QJJXYPPXXYFBGM-PBWQTLGUSA-N
InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1	925	CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	InChIKey=OQAHHWOPVDDWHD-INIZCTEOSA-N
InChI=1S/C6H8N2O2.BrH/c9-6-4-3-7-2-1-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H	926	Br.Oc1noc2CCNCc12	InChIKey=SFAVNCAJEGVFMX-UHFFFAOYSA-N
InChI=1S/C20H25N2O4.BrH/c1-21-7-10-22(2,11-8-21)9-3-12-24-20-18-16(6-13-25-18)14-15-4-5-17(23)26-19(15)20;/h4-6,13-14H,3,7-12H2,1-2H3;1H/q+1;/p-1	927	[Br-].CN1CC[N+](C)(CCCOc2c3OC(=O)C=Cc3cc4ccoc24)CC1	InChIKey=QCCCHQOFDZCVKD-UHFFFAOYSA-M
InChI=1S/C17H20NO4.BrH/c1-18(2,3)8-4-9-20-17-15-13(7-10-21-15)11-12-5-6-14(19)22-16(12)17;/h5-7,10-11H,4,8-9H2,1-3H3;1H/q+1;/p-1	928	[Br-].C[N+](C)(C)CCCOc1c2OC(=O)C=Cc2cc3ccoc13	InChIKey=YYCHDGRSPIRTRZ-UHFFFAOYSA-M
InChI=1S/C12H13BrN4/c13-9-1-2-10-11(7-9)15-8-12(16-10)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2	929	Brc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=QXFRSOLPUISUHP-UHFFFAOYSA-N
InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	930	Nc1ccc(cc1)S(=O)(=O)NCCc2ccc(cc2)S(=O)(=O)N	InChIKey=WODATDPNMUWSHD-UHFFFAOYSA-N
InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)	931	Nc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N	InChIKey=HHCXOFYGBAPOJR-UHFFFAOYSA-N
InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	932	Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	InChIKey=GCQZFVAHUZIDRP-UHFFFAOYSA-N
InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	933	Nc1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	InChIKey=BDLSLORLEPSOGW-UHFFFAOYSA-N
InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3	934	CN1Cc2c(ncn2c3ccc(cc3C1=O)[N+](=O)[O-])C(=O)OC(C)(C)C	InChIKey=RELKUIIVWKRWEL-UHFFFAOYSA-N
InChI=1S/C17H15N5O2S/c1-22(2)15-7-3-6-14-13(15)5-4-8-16(14)25(23,24)21-17-10-9-12(11-18)19-20-17/h3-10H,1-2H3,(H,20,21)	935	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(nn3)C#N	InChIKey=FZSXUFHWRYAISN-UHFFFAOYSA-N
InChI=1S/C10H9NO2S/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)	936	O=C1Nc2ccccc2C13OCCS3	InChIKey=ZIBIJMUZBVWSHR-UHFFFAOYSA-N
InChI=1S/C10H9NOS2/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)	937	O=C1Nc2ccccc2C13SCCS3	InChIKey=QAYGJICGCHGPFV-UHFFFAOYSA-N
InChI=1S/C6H5Cl2N3O/c1-9-6(12)3-2-4(7)10-11-5(3)8/h2H,1H3,(H,9,12)	938	CNC(=O)c1cc(Cl)nnc1Cl	InChIKey=FSNHYLZKQOGDJR-UHFFFAOYSA-N
InChI=1S/C12H13ClN4/c13-9-1-2-10-11(7-9)15-8-12(16-10)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2	939	Clc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=PSJNXVYMPJQNGI-UHFFFAOYSA-N
InChI=1S/C9H14N2O2.ClH/c1-3-12-9-7-6-11(2)5-4-8(7)13-10-9;/h3-6H2,1-2H3;1H	940	Cl.CCOc1noc2CCN(C)Cc12	InChIKey=AQYXZOFAYAWXHY-UHFFFAOYSA-N
InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)	941	NS(=O)(=O)c1ccc(cc1)C(=O)O	InChIKey=UCAGLBKTLXCODC-UHFFFAOYSA-N
InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	942	NS(=O)(=O)c1ccc(CCO)cc1	InChIKey=RYKHXKKLCRPAJP-UHFFFAOYSA-N
InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3	945	CN1Cc2c(ncn2c3ccc(I)cc3C1=O)C(=O)OC(C)(C)C	InChIKey=YVPJMZCJVHJOFG-UHFFFAOYSA-N
InChI=1S/C17H16ClN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3	947	CCOC(=O)c1ncn2c1C3CCCN3C(=O)c4cc(Cl)ccc24	InChIKey=GXXNSEYTZVNYNW-UHFFFAOYSA-N
InChI=1S/C20H21N3O4/c1-13(24)22-11-17-12-23(20(26)27-17)16-7-3-14(4-8-16)15-5-9-18(21-2)19(25)10-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,25)(H,22,24)	948	C\N=C\1/C=CC(=CC=C1O)c2ccc(cc2)N3CC(CNC(=O)C)OC3=O	InChIKey=KAKXRVVBBNLNRY-UHFFFAOYSA-N
InChI=1S/C16H14ClN3O5S/c17-12-6-5-9(7-13(12)26(18,24)25)15(21)19-20-8-10-3-1-2-4-11(10)14(20)16(22)23/h1-7,14H,8H2,(H,19,21)(H,22,23)(H2,18,24,25)	949	NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2Cc3ccccc3C2C(=O)O	InChIKey=XYBPXNKGYOGVST-UHFFFAOYSA-N
InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3	950	CN(N=O)c1ccccc1	InChIKey=MAXCWSIJKVASQC-UHFFFAOYSA-N
InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)	951	NS(=O)(=O)c1ccc(CO)cc1	InChIKey=UULCVOIRJRJPQS-UHFFFAOYSA-N
InChI=1S/C13H14N6/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6,14H2,1H3,(H,15,16,17)	959	CNc1ncnc2c1ncn2Cc3ccc(N)cc3	InChIKey=CBHPUESPTPKGJP-UHFFFAOYSA-N
InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)	960	N=C1CCCCN1	InChIKey=DHGUMNJVFYRSIG-UHFFFAOYSA-N
InChI=1S/C12H6Cl2N4O/c13-9-3-6(1-2-7(9)5-15)10-4-8(12(16)19)11(14)18-17-10/h1-4H,(H2,16,19)	961	NC(=O)c1cc(nnc1Cl)c2ccc(C#N)c(Cl)c2	InChIKey=VAMYFJTZLUVTRH-UHFFFAOYSA-N
InChI=1S/C11H7ClN4O3/c12-10-8(11(13)17)5-9(14-15-10)6-1-3-7(4-2-6)16(18)19/h1-5H,(H2,13,17)	962	NC(=O)c1cc(nnc1Cl)c2ccc(cc2)[N+](=O)[O-]	InChIKey=RBQBBPDFRVGOII-UHFFFAOYSA-N
InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3	963	CN(N=O)c1cc(O)ccc1O	InChIKey=HCJOLYFWJWJPTJ-UHFFFAOYSA-N
InChI=1S/C16H16O6/c1-19-16-14-11(5-8-21-14)12(9-20-7-2-6-17)10-3-4-13(18)22-15(10)16/h3-5,8,17H,2,6-7,9H2,1H3	964	COc1c2OC(=O)C=Cc2c(COCCCO)c3ccoc13	InChIKey=WXBCYHPCXAOJGQ-UHFFFAOYSA-N
InChI=1S/C13H13N5/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)	965	CNc1ncnc2c1ncn2Cc3ccccc3	InChIKey=WHQCXZULGYACQH-UHFFFAOYSA-N
InChI=1S/C20H19N5O/c1-21-19-18-20(23-13-22-19)25(14-24-18)11-16-8-5-9-17(10-16)26-12-15-6-3-2-4-7-15/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)	966	CNc1ncnc2c1ncn2Cc3cccc(OCc4ccccc4)c3	InChIKey=ZSSMLGUNENTCOM-UHFFFAOYSA-N
InChI=1S/C13H16N4O/c1-18-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3	967	COc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=UWXRANOLLRAIRP-UHFFFAOYSA-N
InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-3-2-4-10(14)5-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)	968	CNc1ncnc2c1ncn2Cc3cccc(F)c3	InChIKey=ZUBDMTBLFPZXAO-UHFFFAOYSA-N
InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	969	Nc1ccccc1S(=O)(=O)N	InChIKey=YAZSBRQTAHVVGE-UHFFFAOYSA-N
InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)	970	CN1N=C(SC1=N)S(=O)(=O)N	InChIKey=BWSMJWLWXNCHHP-UHFFFAOYSA-N
InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	971	Nc1nnc(s1)S(=O)(=O)N	InChIKey=VGMVBPQOACUDRU-UHFFFAOYSA-N
InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	972	Nc1cccc(c1)S(=O)(=O)N	InChIKey=JPVKCHIPRSQDKL-UHFFFAOYSA-N
InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)	973	NC1=Nc2ccccc2CC1	InChIKey=RREBANHDFAXBEZ-UHFFFAOYSA-N
InChI=1S/C8H16N2/c1-2-3-7-4-5-10-8(9)6-7/h7H,2-6H2,1H3,(H2,9,10)	974	CCCC1CCN=C(N)C1	InChIKey=MEFVVPMWEUFYGI-UHFFFAOYSA-N
InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)	975	CC1CCCC(=N1)N	InChIKey=UTJJCBMDCZDYKT-UHFFFAOYSA-N
InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	976	Nc1ccc(cc1I)S(=O)(=O)N	InChIKey=HCODCRHNVCTCTR-UHFFFAOYSA-N
InChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3	977	CNC1C(C)(C)C2CCC1(C)C2	InChIKey=TUBMCSVBLIVDLY-UHFFFAOYSA-N
InChI=1S/C16H18FN5/c1-3-21(4-2)15-14-16(19-10-18-15)22(11-20-14)9-12-7-5-6-8-13(12)17/h5-8,10-11H,3-4,9H2,1-2H3	978	CCN(CC)c1ncnc2c1ncn2Cc3ccccc3F	InChIKey=WEOASIHMXJYHMV-UHFFFAOYSA-N
InChI=1S/C18H14N4OS/c19-17-16-14(21-18(20)22-17)6-3-7-15(16)24(23)13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,19,20,21,22)	979	Nc1nc(N)c2c(cccc2n1)[S+]([O-])c3ccc4ccccc4c3	InChIKey=KXMCHNWKSAWQMW-UHFFFAOYSA-N
InChI=1S/C13H11F2N5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-2-3-9(14)4-10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)	980	CNc1ncnc2c1ncn2Cc3ccc(F)cc3F	InChIKey=AZSXWEMWCMBJQH-UHFFFAOYSA-N
InChI=1S/C21H22N2O4/c24-19(17-9-2-1-3-10-17)20(25)23-13-5-11-18(23)21(26)27-14-6-8-16-7-4-12-22-15-16/h1-4,7,9-10,12,15,18H,5-6,8,11,13-14H2/t18-/m0/s1	981	O=C(OCCCc1cccnc1)[C@@H]2CCCN2C(=O)C(=O)c3ccccc3	InChIKey=HXTLHHVZELOINL-SFHVURJKSA-N
InChI=1S/C21H21NO6S/c23-19(16-8-3-1-4-9-16)20(24)22-13-7-12-18(22)21(25)28-14-15-29(26,27)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1	982	O=C(OCCS(=O)(=O)c1ccccc1)[C@@H]2CCCN2C(=O)C(=O)c3ccccc3	InChIKey=UZCLXQXFQFMTQU-SFHVURJKSA-N
InChI=1S/C16H24N2O3/c1-10(2)15-16(20)17-11(9-19)8-12-13(18(15)3)6-5-7-14(12)21-4/h5-7,10-11,15,19H,8-9H2,1-4H3,(H,17,20)/t11-,15-/m0/s1	984	COc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc12	InChIKey=GZOGCNNEJTVACM-NHYWBVRUSA-N
InChI=1S/C15H13ClO3/c1-19-13-4-2-3-11(9-14(17)18)15(13)10-5-7-12(16)8-6-10/h2-8H,9H2,1H3,(H,17,18)	985	COc1cccc(CC(=O)O)c1c2ccc(Cl)cc2	InChIKey=QWOBRMYPJLOXMU-UHFFFAOYSA-N
InChI=1S/C14H10Cl2N4OS/c15-8-5-4-7(6-9(8)16)22(21)11-3-1-2-10-12(11)13(17)20-14(18)19-10/h1-6H,(H4,17,18,19,20)	990	Nc1nc(N)c2c(cccc2n1)[S+]([O-])c3ccc(Cl)c(Cl)c3	InChIKey=MIZPOFIVXQCJFE-UHFFFAOYSA-N
InChI=1S/C18H13N3O2S/c19-18-20-16-8-7-14(10-15(16)17(22)21-18)24(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)	991	Nc1nc(O)c2cc(ccc2n1)[S+]([O-])c3ccc4ccccc4c3	InChIKey=HSEIXEXKGPZXCJ-UHFFFAOYSA-N
InChI=1S/C24H20F3N3O5/c1-14(11-12-30-22(31)29-23(32)35-30)16-5-9-19(10-6-16)33-13-20-15(2)34-21(28-20)17-3-7-18(8-4-17)24(25,26)27/h3-11H,12-13H2,1-2H3,(H,29,31,32)/b14-11+	992	C\C(=C/CN1OC(=O)NC1=O)\c2ccc(OCc3nc(oc3C)c4ccc(cc4)C(F)(F)F)cc2	InChIKey=FVSXNRBACMJALL-SDNWHVSQSA-N
InChI=1S/C24H20F3N3O4S/c1-14(10-11-30-22(31)29-23(32)35-30)17-4-3-5-19(12-17)33-13-20-15(2)34-21(28-20)16-6-8-18(9-7-16)24(25,26)27/h3-10,12H,11,13H2,1-2H3,(H,29,31,32)/b14-10+	993	C\C(=C/CN1SC(=O)NC1=O)\c2cccc(OCc3nc(oc3C)c4ccc(cc4)C(F)(F)F)c2	InChIKey=RRVRHCAQOOJKLM-GXDHUFHOSA-N
InChI=1S/C13H16N4O/c1-18-10-2-3-11-12(8-10)16-13(9-15-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3	994	COc1ccc2ncc(nc2c1)N3CCNCC3	InChIKey=GEEJOLWDJAVXGB-UHFFFAOYSA-N
InChI=1S/C12H13N5O2/c18-17(19)9-1-2-10-11(7-9)15-12(8-14-10)16-5-3-13-4-6-16/h1-2,7-8,13H,3-6H2	995	[O-][N+](=O)c1ccc2ncc(nc2c1)N3CCNCC3	InChIKey=YVJPQBRGBKYLRH-UHFFFAOYSA-N
InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	996	CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13	InChIKey=GDLIGKIOYRNHDA-UHFFFAOYSA-N
InChI=1S/C12H12Cl2N4/c13-8-5-10-11(6-9(8)14)17-12(7-16-10)18-3-1-15-2-4-18/h5-7,15H,1-4H2	998	Clc1cc2ncc(nc2cc1Cl)N3CCNCC3	InChIKey=YHIIYPAPGGCWLA-UHFFFAOYSA-N
InChI=1S/C18H13N3OS/c19-18-20-16-8-7-14(10-15(16)17(22)21-18)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)	999	Nc1nc(O)c2cc(Sc3ccc4ccccc4c3)ccc2n1	InChIKey=DXYSGZNFDLGXPA-UHFFFAOYSA-N
InChI=1S/C13H11ClFN5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-9(14)3-2-4-10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)	1000	CNc1ncnc2c1ncn2Cc3c(F)cccc3Cl	InChIKey=VAEPQHITLRNBPM-UHFFFAOYSA-N
InChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/t7-;/m1./s1	1004	Cl.C[C@@H](N)Cc1c2occc2c(c3occc13)C(F)(F)F	InChIKey=OOIFSTYDVQDIPJ-OGFXRTJISA-N
InChI=1S/C13H12BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h2-5,7H,6,15H2,1H3;1H/t7-;/m0./s1	1005	Cl.C[C@H](N)Cc1c2occc2c(Br)c3occc13	InChIKey=YDIDKNSMQNPNFC-FJXQXJEOSA-N
InChI=1S/C13H12BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h2-5,7H,6,15H2,1H3;1H/t7-;/m1./s1	1006	Cl.C[C@@H](N)Cc1c2occc2c(Br)c3occc13	InChIKey=YDIDKNSMQNPNFC-OGFXRTJISA-N
InChI=1S/C12H15N5/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11/h1-4,14H,5-8H2,(H2,13,15)	1007	Nc1nc2ccccc2nc1N3CCNCC3	InChIKey=IUESNHYFGNOLAM-UHFFFAOYSA-N
InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	1008	CC1CC(C)N=C(N)C1	InChIKey=RRCBYANJUIVMJX-UHFFFAOYSA-N
InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3	1009	CCNC1C2CCC(C2)C1c3ccccc3	InChIKey=IKFBPFGUINLYQI-UHFFFAOYSA-N
InChI=1S/C12H23N/c1-11(2)9-6-7-12(11,3)10(8-9)13(4)5/h9-10H,6-8H2,1-5H3	1010	CN(C)C1CC2CCC1(C)C2(C)C	InChIKey=XUDICDUSDBRTAJ-UHFFFAOYSA-N
InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1	1011	CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC	InChIKey=DLMIREIQJNSNMF-URXFXBBRSA-N
InChI=1S/C15H22N2O2/c1-10(2)14-15(19)16-12(9-18)8-11-6-4-5-7-13(11)17(14)3/h4-7,10,12,14,18H,8-9H2,1-3H3,(H,16,19)/t12-,14-/m0/s1	1012	CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O	InChIKey=OBEJTRHPRSRHSZ-JSGCOSHPSA-N
InChI=1S/C15H16FN5/c1-3-20(2)14-13-15(18-9-17-14)21(10-19-13)8-11-6-4-5-7-12(11)16/h4-7,9-10H,3,8H2,1-2H3	1014	CCN(C)c1ncnc2c1ncn2Cc3ccccc3F	InChIKey=KFGCYZMYXQCICS-UHFFFAOYSA-N
InChI=1S/C17H18FN5/c18-14-8-4-1-5-12(14)9-23-11-21-15-16(19-10-20-17(15)23)22-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,19,20,22)	1015	Fc1ccccc1Cn2cnc3c(NC4CCCC4)ncnc23	InChIKey=AIAFKFDDIPIAOG-UHFFFAOYSA-N
InChI=1S/C13H11F2N5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-4-9(14)2-3-10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)	1016	CNc1ncnc2c1ncn2Cc3cc(F)ccc3F	InChIKey=CHDUJZHFIFHEHP-UHFFFAOYSA-N
InChI=1S/C14H13F2N5/c1-20(2)13-12-14(18-7-17-13)21(8-19-12)6-9-10(15)4-3-5-11(9)16/h3-5,7-8H,6H2,1-2H3	1017	CN(C)c1ncnc2c1ncn2Cc3c(F)cccc3F	InChIKey=HBGIBZYAZQHCHG-UHFFFAOYSA-N
InChI=1S/C13H11F2N5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-9(14)3-2-4-10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)	1018	CNc1ncnc2c1ncn2Cc3c(F)cccc3F	InChIKey=BYCDXTQDXSHXCZ-UHFFFAOYSA-N
InChI=1S/C82H122N20O31S/c1-37(2)62(95-72(122)54(32-61(115)116)91-67(117)48(23-24-59(111)112)89-78(128)65(40(6)106)99-71(121)53(31-60(113)114)86-42(8)108)77(127)96-63(38(3)4)80(130)102-27-14-18-57(102)75(125)100-101-82(133)94-56(36-104)74(124)88-49(25-28-134-9)68(118)93-55(35-103)73(123)90-51(29-43-19-21-45(109)22-20-43)69(119)98-66(41(7)107)79(129)92-52(30-44-33-84-47-16-11-10-15-46(44)47)70(120)97-64(39(5)105)76(126)85-34-58(110)87-50(81(131)132)17-12-13-26-83/h10-11,15-16,19-22,33,37-41,48-57,62-66,84,103-107,109H,12-14,17-18,23-32,34-36,83H2,1-9H3,(H,85,126)(H,86,108)(H,87,110)(H,88,124)(H,89,128)(H,90,123)(H,91,117)(H,92,129)(H,93,118)(H,95,122)(H,96,127)(H,97,120)(H,98,119)(H,99,121)(H,100,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)(H2,94,101,133)/t39-,40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,62+,63+,64+,65+,66+/m1/s1	1020	CSCC[C@H](NC(=O)[C@H](CO)NC(=O)NNC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	InChIKey=FEWKZOYDUBIDBC-FXCBUWCLSA-N
InChI=1S/C49H80N12O22S/c1-9-15-61(49(83)55-30(20-62)43(76)51-27(14-17-84-8)40(73)54-31(21-63)48(81)82)59-44(77)32-11-10-16-60(32)47(80)37(23(4)5)57-45(78)36(22(2)3)56-42(75)29(19-35(70)71)53-39(72)26(12-13-33(66)67)52-46(79)38(24(6)64)58-41(74)28(18-34(68)69)50-25(7)65/h22-24,26-32,36-38,62-64H,9-21H2,1-8H3,(H,50,65)(H,51,76)(H,52,79)(H,53,72)(H,54,73)(H,55,83)(H,56,75)(H,57,78)(H,58,74)(H,59,77)(H,66,67)(H,68,69)(H,70,71)(H,81,82)/t24-,26+,27+,28+,29+,30+,31+,32-,36+,37+,38+/m1/s1	1021	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O	InChIKey=RQWJHYFOAMWWSO-FOINILCOSA-N
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	1022	COC(=O)C1=CCCN(C)C1	InChIKey=HJJPJSXJAXAIPN-UHFFFAOYSA-N
InChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17)	1023	CC(=O)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	InChIKey=DZCIWZYDWLPKEI-UHFFFAOYSA-N
InChI=1S/C14H19N5O2/c1-4-21-11(20)9-6-5-7-10(8-9)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4H2,1-3H3,(H4,15,16,17,18)	1024	CCOC(=O)c1cccc(c1)N2C(=NC(=NC2(C)C)N)N	InChIKey=KOIZYLPTQAKUHQ-UHFFFAOYSA-N
InChI=1S/C12H14N4O/c17-12-11(16-7-5-13-6-8-16)14-9-3-1-2-4-10(9)15-12/h1-4,13H,5-8H2,(H,15,17)	1025	Oc1nc2ccccc2nc1N3CCNCC3	InChIKey=VBHKPSBTQOQTHK-UHFFFAOYSA-N
InChI=1S/C18H14N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)	1026	Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3ccc4ccccc4c3	InChIKey=GBVQWZXJDIIUCC-UHFFFAOYSA-N
InChI=1S/C19H25NO6S/c1-14(2)13-17(21)18(22)20-10-6-9-16(20)19(23)26-11-12-27(24,25)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3/t16-/m0/s1	1027	CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c2ccccc2	InChIKey=MWKDWLUBJYUDKU-INIZCTEOSA-N
InChI=1S/C19H26N2O4/c1-19(2,3)16(22)17(23)21-11-5-9-15(21)18(24)25-12-6-8-14-7-4-10-20-13-14/h4,7,10,13,15H,5-6,8-9,11-12H2,1-3H3/t15-/m0/s1	1028	CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	InChIKey=OETFRCASQSHMLL-HNNXBMFYSA-N
InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3	1029	CCC1CC(C)c2cc3C(=CC(=O)Oc3cc2N1)C(F)(F)F	InChIKey=OEPZGYKIBZAXIN-UHFFFAOYSA-N
InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3	1030	CC1CCNc2cc3OC(=O)C=C(c3cc12)C(F)(F)F	InChIKey=XFVHCXVBLVMUSO-UHFFFAOYSA-N
InChI=1S/C17H19N3O3/c1-17(2,3)23-16(22)14-13-9-19(4)15(21)11-7-5-6-8-12(11)20(13)10-18-14/h5-8,10H,9H2,1-4H3	1031	CN1Cc2c(ncn2c3ccccc3C1=O)C(=O)OC(C)(C)C	InChIKey=ORGHOMSAOBRFHR-UHFFFAOYSA-N
InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)	1032	CC1(C)N=C(N)N=C(N)N1c2ccc(cc2)C(F)(F)F	InChIKey=ROTRAHDYGVFVQU-UHFFFAOYSA-N
InChI=1S/C23H20ClN3O5/c1-14(27-22(28)26-23(29)32-27)6-7-16-4-3-5-19(12-16)30-13-20-15(2)31-21(25-20)17-8-10-18(24)11-9-17/h3-12,14H,13H2,1-2H3,(H,26,28,29)/b7-6+	1033	CC(\C=C\c1cccc(OCc2nc(oc2C)c3ccc(Cl)cc3)c1)N4OC(=O)NC4=O	InChIKey=BOWSPWPPMYIXBS-VOTSOKGWSA-N
InChI=1S/C8H12N2O2.ClH/c1-10-4-3-7-6(5-10)8(11-2)9-12-7;/h3-5H2,1-2H3;1H	1035	Cl.COc1noc2CCN(C)Cc12	InChIKey=TUTIKEIKWZZHKM-UHFFFAOYSA-N
InChI=1S/C10H12N2O2.ClH/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10;/h11H,4-7H2,1H3;1H	1036	Cl.CC#CCOc1noc2CCNCc12	InChIKey=FFSBYSXQVCTLTA-UHFFFAOYSA-N
InChI=1S/C24H20F3N3O5/c1-14(10-11-30-22(31)29-23(32)35-30)17-4-3-5-19(12-17)33-13-20-15(2)34-21(28-20)16-6-8-18(9-7-16)24(25,26)27/h3-10,12H,11,13H2,1-2H3,(H,29,31,32)/b14-10+	1037	C\C(=C/CN1OC(=O)NC1=O)\c2cccc(OCc3nc(oc3C)c4ccc(cc4)C(F)(F)F)c2	InChIKey=GFWCNBHTRJCSMJ-GXDHUFHOSA-N
InChI=1S/C12H17N5/c1-8-5-4-6-9(7-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	1038	Cc1cccc(c1)N2C(=NC(=NC2(C)C)N)N	InChIKey=VODVTOKGXQMTDK-UHFFFAOYSA-N
InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3	1039	CN1Cc2c(ncn2c3ccc(Cl)cc3C1=O)C(=O)OC(C)(C)C	InChIKey=NLEQOPYBIKKOPK-UHFFFAOYSA-N
InChI=1S/C13H13F3N4/c14-13(15,16)9-1-2-10-11(7-9)18-8-12(19-10)20-5-3-17-4-6-20/h1-2,7-8,17H,3-6H2	1040	FC(F)(F)c1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=FHSHYECWAIAKCY-UHFFFAOYSA-N
InChI=1S/C12H15N5/c13-9-1-2-10-11(7-9)15-8-12(16-10)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6,13H2	1041	Nc1ccc2nc(cnc2c1)N3CCNCC3	InChIKey=SRSFLPMRIQTMOV-UHFFFAOYSA-N
InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	1042	Cc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	InChIKey=IVICPTLSOMKNRU-UHFFFAOYSA-N
InChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h7H,2-6,15H2,1H3;1H/t7-;/m1./s1	1044	Cl.C[C@@H](N)Cc1c2CCOc2c(Br)c3CCOc13	InChIKey=OOXVNBHFUWKZMY-OGFXRTJISA-N
InChI=1S/C9H11BrN2O2.ClH/c1-6(10)5-13-9-7-4-11-3-2-8(7)14-12-9;/h11H,1-5H2;1H	1045	Cl.BrC(=C)COc1noc2CCNCc12	InChIKey=OHKWDPCVXYOQLZ-UHFFFAOYSA-N
InChI=1S/C9H10N2O2.ClH/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9;/h1,10H,3-6H2;1H	1046	Cl.C#CCOc1noc2CCNCc12	InChIKey=VEOVHJYFYPNTIP-UHFFFAOYSA-N
InChI=1S/C13H13NO2.ClH/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11;/h2-5,7-8H,6,14H2,1H3;1H/t8-;/m0./s1	1048	Cl.C[C@H](N)Cc1c2occc2cc3occc13	InChIKey=NEXBRZPFGXOCSI-QRPNPIFTSA-N
InChI=1S/C10H14N2O2.ClH/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10;/h2-3,11H,4-7H2,1H3;1H/b3-2+;	1049	Cl.C\C=C\COc1noc2CCNCc12	InChIKey=AAKMJFSTMUYOCW-SQQVDAMQSA-N
InChI=1S/C10H16N2O2.ClH/c1-7(2)6-13-10-8-5-11-4-3-9(8)14-12-10;/h7,11H,3-6H2,1-2H3;1H	1050	Cl.CC(C)COc1noc2CCNCc12	InChIKey=ASLGIQYPFOFVJA-UHFFFAOYSA-N
InChI=1S/C17H17NO5.ClH/c1-20-17-15-12(4-7-22-15)13(10-18-5-8-21-9-6-18)11-2-3-14(19)23-16(11)17;/h2-4,7H,5-6,8-10H2,1H3;1H	1051	Cl.COc1c2OC(=O)C=Cc2c(CN3CCOCC3)c4ccoc14	InChIKey=GZGDRTCEABJVEQ-UHFFFAOYSA-N
InChI=1S/C7H10N2O2.ClH/c1-10-7-5-4-8-3-2-6(5)11-9-7;/h8H,2-4H2,1H3;1H	1052	Cl.COc1noc2CCNCc12	InChIKey=SCPYRRZFPGLILV-UHFFFAOYSA-N
InChI=1S/C14H16F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h7H,2-6,18H2,1H3;1H/t7-;/m1./s1	1053	Cl.C[C@@H](N)Cc1c2CCOc2c(c3CCOc13)C(F)(F)F	InChIKey=DHIOYGIRMDZYNH-OGFXRTJISA-N
InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	1054	CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1	InChIKey=KDIRIFZBLUSLJU-UPVQGACJSA-N
InChI=1S/C13H14N4O2/c18-13(19)11-8-17(6-5-14-11)12-7-15-9-3-1-2-4-10(9)16-12/h1-4,7,11,14H,5-6,8H2,(H,18,19)	1057	OC(=O)C1CN(CCN1)c2cnc3ccccc3n2	InChIKey=LOLYJHDVRZQDPI-UHFFFAOYSA-N
InChI=1S/C12H14N4/c1-2-4-11-10(3-1)14-9-12(15-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2	1058	C1CN(CCN1)c2cnc3ccccc3n2	InChIKey=RELPOLSGTUYMFR-UHFFFAOYSA-N
InChI=1S/C13H16ClN5O2S/c1-18-4-6-19(7-5-18)13-12(14)16-11-8-9(22(15,20)21)2-3-10(11)17-13/h2-3,8H,4-7H2,1H3,(H2,15,20,21)	1060	CN1CCN(CC1)c2nc3ccc(cc3nc2Cl)S(=O)(=O)N	InChIKey=JJXPRPBMQBDUPE-UHFFFAOYSA-N
InChI=1S/C17H18F3NO2/c1-3-9-5-10(4-2)21-14-8-15-12(6-11(9)14)13(17(18,19)20)7-16(22)23-15/h6-10,21H,3-5H2,1-2H3	1061	CCC1CC(CC)c2cc3C(=CC(=O)Oc3cc2N1)C(F)(F)F	InChIKey=FWJAPKPHDLQMKB-UHFFFAOYSA-N
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	1063	COc1c2OC(=O)C=Cc2cc3ccoc13	InChIKey=QXKHYNVANLEOEG-UHFFFAOYSA-N
InChI=1S/C15H13ClO3/c1-19-14-4-2-3-12(13(14)9-15(17)18)10-5-7-11(16)8-6-10/h2-8H,9H2,1H3,(H,17,18)	1064	COc1cccc(c1CC(=O)O)c2ccc(Cl)cc2	InChIKey=BMRFDTBYGKZEEI-UHFFFAOYSA-N
InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H4,13,14,15,16)	1065	COc1cccc(c1)N2C(=NC(=NC2(C)C)N)N	InChIKey=IANXQZFGCPHWLQ-UHFFFAOYSA-N
InChI=1S/C12H12N4O/c17-12-8-16(6-5-13-12)11-7-14-9-3-1-2-4-10(9)15-11/h1-4,7H,5-6,8H2,(H,13,17)	1066	O=C1CN(CCN1)c2cnc3ccccc3n2	InChIKey=LHLQSRLLROCQFM-UHFFFAOYSA-N
InChI=1S/C12H13FN4/c13-9-2-1-3-10-12(9)16-11(8-15-10)17-6-4-14-5-7-17/h1-3,8,14H,4-7H2	1067	Fc1cccc2ncc(nc12)N3CCNCC3	InChIKey=CLGWFMYFHBGMHA-UHFFFAOYSA-N
InChI=1S/C20H33NO3/c1-16(2)21-13-19(22)15-24-20-9-7-17(8-10-20)11-12-23-14-18-5-3-4-6-18/h7-10,16,18-19,21-22H,3-6,11-15H2,1-2H3	1068	CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1	InChIKey=PWUCBVLHDKLBIN-UHFFFAOYSA-N
InChI=1S/C19H26N2O4/c1-14(2)12-17(22)18(23)21-10-4-8-16(21)19(24)25-11-5-7-15-6-3-9-20-13-15/h3,6,9,13-14,16H,4-5,7-8,10-12H2,1-2H3/t16-/m0/s1	1069	CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	InChIKey=FSFOZWCLUWCAGS-INIZCTEOSA-N
InChI=1S/C14H12FN5O/c1-19(9-21)13-12-14(17-7-16-13)20(8-18-12)6-10-4-2-3-5-11(10)15/h2-5,7-9H,6H2,1H3	1070	CN(C=O)c1ncnc2c1ncn2Cc3ccccc3F	InChIKey=PRESCSZWSHLHPM-UHFFFAOYSA-N
InChI=1S/C45H64F3N9O16/c1-8-17-57(43(72)25-11-13-26(14-12-25)45(46,47)48)55-40(69)30-10-9-18-56(30)44(73)35(22(4)5)53-41(70)34(21(2)3)52-39(68)29(20-33(64)65)51-37(66)27(15-16-31(60)61)50-42(71)36(23(6)58)54-38(67)28(19-32(62)63)49-24(7)59/h11-14,21-23,27-30,34-36,58H,8-10,15-20H2,1-7H3,(H,49,59)(H,50,71)(H,51,66)(H,52,68)(H,53,70)(H,54,67)(H,55,69)(H,60,61)(H,62,63)(H,64,65)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1	1071	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)c2ccc(cc2)C(F)(F)F	InChIKey=VCUZIINFCYWRJH-SNXMAQIISA-N
InChI=1S/C14H12ClN3O3/c1-17-6-11-12(14(20)21-2)16-7-18(11)10-4-3-8(15)5-9(10)13(17)19/h3-5,7H,6H2,1-2H3	1072	COC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23	InChIKey=IHXVYWCHHKBREE-UHFFFAOYSA-N
InChI=1S/C14H13N3O3/c1-16-7-11-12(14(19)20-2)15-8-17(11)10-6-4-3-5-9(10)13(16)18/h3-6,8H,7H2,1-2H3	1073	COC(=O)c1ncn2c1CN(C)C(=O)c3ccccc23	InChIKey=QZZWDAILXQWHAG-UHFFFAOYSA-N
InChI=1S/C17H19NO6.ClH/c1-22-17-15-12(4-9-23-15)13(10-18(5-7-19)6-8-20)11-2-3-14(21)24-16(11)17;/h2-4,9,19-20H,5-8,10H2,1H3;1H	1074	Cl.COc1c2OC(=O)C=Cc2c(CN(CCO)CCO)c3ccoc13	InChIKey=VAMZYPJVBVWJAX-UHFFFAOYSA-N
InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-3-5-13(9-12)26-10-11-6-7-14(19)15(20)8-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	1075	CC1(C)N=C(N)N=C(N)N1c2cccc(OCc3ccc(Cl)c(Cl)c3)c2	InChIKey=KLTBXEYFWQXDEU-UHFFFAOYSA-N
InChI=1S/C15H23N5/c1-14(2,3)10-6-8-11(9-7-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19)	1076	CC(C)(C)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	InChIKey=VBVURTIHSKZQNP-UHFFFAOYSA-N
InChI=1S/C26H36FNO3/c1-20(5-6-21-7-11-24(27)12-8-21)28-17-25(29)19-31-26-13-9-22(10-14-26)15-16-30-18-23-3-2-4-23/h7-14,20,23,25,28-29H,2-6,15-19H2,1H3	1077	CC(CCc1ccc(F)cc1)NCC(O)COc2ccc(CCOCC3CCC3)cc2	InChIKey=CGLAXSYMFVYKRL-UHFFFAOYSA-N
InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)	1078	NS(=O)(=O)c1cccc2cccnc12	InChIKey=ZTYZEUXZHGOXRT-UHFFFAOYSA-N
InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)	1079	CCNC1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N	InChIKey=HCRKCZRJWPKOAR-UHFFFAOYSA-N
InChI=1S/C16H16FN5/c17-13-7-2-1-4-11(13)8-22-10-20-14-15(18-9-19-16(14)22)21-12-5-3-6-12/h1-2,4,7,9-10,12H,3,5-6,8H2,(H,18,19,21)	1080	Fc1ccccc1Cn2cnc3c(NC4CCC4)ncnc23	InChIKey=JCGIVJVGPNYBSO-UHFFFAOYSA-N
InChI=1S/C22H26F3N5O2/c1-21(2)29-19(26)28-20(27)30(21)16-8-6-10-18(14-16)32-12-4-3-11-31-17-9-5-7-15(13-17)22(23,24)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H4,26,27,28,29)	1081	CC1(C)N=C(N)N=C(N)N1c2cccc(OCCCCOc3cccc(c3)C(F)(F)F)c2	InChIKey=MMMVJJCCSPZNKF-UHFFFAOYSA-N
InChI=1S/C17H19NO4/c1-9-6-15(20)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-18-4-5-19/h6-7,18-19H,4-5,8H2,1-3H3	1082	CC1=CC(=O)Oc2c(C)c3oc(C)c(CNCCO)c3cc12	InChIKey=GEUFHXIJTOGPOA-UHFFFAOYSA-N
InChI=1S/C9H14N2O2.ClH/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9;/h10H,2-6H2,1H3;1H	1083	Cl.CCCOc1noc2CCNCc12	InChIKey=VWGWXSCTVZCITH-UHFFFAOYSA-N
InChI=1S/C9H14N2O2.ClH/c1-6(2)12-9-7-5-10-4-3-8(7)13-11-9;/h6,10H,3-5H2,1-2H3;1H	1084	Cl.CC(C)Oc1noc2CCNCc12	InChIKey=MLYAUOKINLUHRK-UHFFFAOYSA-N
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	1085	NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N	InChIKey=GJQPMPFPNINLKP-UHFFFAOYSA-N
InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	1086	COc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	InChIKey=KLCSZLKQTXQCTD-UHFFFAOYSA-N
InChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h7H,2-6,15H2,1H3;1H/t7-;/m0./s1	1087	Cl.C[C@H](N)Cc1c2CCOc2c(Br)c3CCOc13	InChIKey=OOXVNBHFUWKZMY-FJXQXJEOSA-N
InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	1088	COc1cc(c(OC)cc1CC(C)N)C(F)(F)F	InChIKey=WPGOTSORDNBMHP-UHFFFAOYSA-N
InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	1090	COc1cc(CC(C)N)c(OC)cc1Br	InChIKey=FXMWUTGUCAKGQL-UHFFFAOYSA-N
InChI=1S/C15H13ClO3/c1-19-14-7-2-10(9-15(17)18)8-13(14)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)	1091	COc1ccc(CC(=O)O)cc1c2ccc(Cl)cc2	InChIKey=HOSXFBPAUOSEAP-UHFFFAOYSA-N
InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)	1092	NC1=NC(CCC1)C(F)(F)F	InChIKey=RZKJKWXGHDDBCK-UHFFFAOYSA-N
InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)	1093	CC1(C)N=C(N)N=C(N)N1c2cccc(c2)C#N	InChIKey=NCLZDLNUFXETQQ-UHFFFAOYSA-N
InChI=1S/C10H16N2O2.ClH/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10;/h11H,2-7H2,1H3;1H	1094	Cl.CCCCOc1noc2CCNCc12	InChIKey=VBPWSRUTFRJWCK-UHFFFAOYSA-N
InChI=1S/C8H12N2O2.ClH/c1-2-11-8-6-5-9-4-3-7(6)12-10-8;/h9H,2-5H2,1H3;1H	1095	Cl.CCOc1noc2CCNCc12	InChIKey=DGMPKWQBFSQOEW-UHFFFAOYSA-N
InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	1096	CCOc1ccc2nc(sc2c1)S(=O)(=O)N	InChIKey=OUZWUKMCLIBBOG-UHFFFAOYSA-N
InChI=1S/C45H67N9O17/c1-8-18-54(45(70)71-22-27-13-10-9-11-14-27)52-41(66)31-15-12-19-53(31)44(69)36(24(4)5)50-42(67)35(23(2)3)49-40(65)30(21-34(61)62)48-38(63)28(16-17-32(57)58)47-43(68)37(25(6)55)51-39(64)29(20-33(59)60)46-26(7)56/h9-11,13-14,23-25,28-31,35-37,55H,8,12,15-22H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t25-,28+,29+,30+,31-,35+,36+,37+/m1/s1	1097	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc2ccccc2	InChIKey=ZTXWMSHQWBOWEF-WSLMXDOOSA-N
InChI=1S/C45H66N10O19/c1-8-17-54(45(71)74-21-26-11-13-27(14-12-26)55(72)73)52-41(67)31-10-9-18-53(31)44(70)36(23(4)5)50-42(68)35(22(2)3)49-40(66)30(20-34(62)63)48-38(64)28(15-16-32(58)59)47-43(69)37(24(6)56)51-39(65)29(19-33(60)61)46-25(7)57/h11-14,22-24,28-31,35-37,56H,8-10,15-21H2,1-7H3,(H,46,57)(H,47,69)(H,48,64)(H,49,66)(H,50,68)(H,51,65)(H,52,67)(H,58,59)(H,60,61)(H,62,63)/t24-,28+,29+,30+,31-,35+,36+,37+/m1/s1	1098	CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]	InChIKey=RLVGAUVBYHQYKU-OAHAANARSA-N
InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3	1099	CN1Cc2c(ncn2c3ccc(Br)cc3C1=O)C(=O)OC(C)(C)C	InChIKey=IXGIOXIKQZCZIK-UHFFFAOYSA-N
InChI=1S/C19H22ClN3O3/c1-19(2,3)7-8-26-18(25)16-15-10-22(4)17(24)13-9-12(20)5-6-14(13)23(15)11-21-16/h5-6,9,11H,7-8,10H2,1-4H3	1100	CN1Cc2c(ncn2c3ccc(Cl)cc3C1=O)C(=O)OCCC(C)(C)C	InChIKey=HCGNYNLDOTYJGS-UHFFFAOYSA-N
InChI=1S/C13H13N5O/c1-14-12-11-13(16-7-15-12)18(8-17-11)6-9-3-2-4-10(19)5-9/h2-5,7-8,19H,6H2,1H3,(H,14,15,16)	1101	CNc1ncnc2c1ncn2Cc3cccc(O)c3	InChIKey=WIKIYVUPLVKNPK-UHFFFAOYSA-N
InChI=1S/C15H13ClO3/c1-19-13-7-4-11(8-15(17)18)14(9-13)10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3,(H,17,18)	1102	COc1ccc(CC(=O)O)c(c1)c2ccc(Cl)cc2	InChIKey=LFULLDHQIIJCGN-UHFFFAOYSA-N
InChI=1S/C15H13ClO3/c1-19-14-8-11(2-3-12(14)9-15(17)18)10-4-6-13(16)7-5-10/h2-8H,9H2,1H3,(H,17,18)	1103	COc1cc(ccc1CC(=O)O)c2ccc(Cl)cc2	InChIKey=MWSAFGVWIYCCAF-UHFFFAOYSA-N
InChI=1S/C31H38O7/c1-17-22(33)16-21-28(37-19(3)32)26-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-31(26,6)29(36)27(35)25(17)30(21,4)5/h7-13,21,23,26-29,35-36H,2,14-16H2,1,3-6H3/b13-12+/t21-,23-,26-,27+,28+,29-,31+/m0/s1	1104	CC(=O)O[C@@H]1[C@@H]2CC(=O)C(=C([C@@H](O)[C@H](O)[C@]3(C)CC[C@H](OC(=O)\C=C\c4ccccc4)C(=C)[C@@H]13)C2(C)C)C	InChIKey=VINWCUNFNJBSQA-IRZWYNESSA-N
InChI=1S/C15H13ClO3/c1-19-14-7-4-11(8-12(14)9-15(17)18)10-2-5-13(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)	1106	COc1ccc(cc1CC(=O)O)c2ccc(Cl)cc2	InChIKey=XJQBKQUXUQRYJO-UHFFFAOYSA-N
InChI=1S/C15H15NO4.ClH/c1-16(2)8-11-9-4-5-12(17)20-14(9)15(18-3)13-10(11)6-7-19-13;/h4-7H,8H2,1-3H3;1H	1108	Cl.COc1c2OC(=O)C=Cc2c(CN(C)C)c3ccoc13	InChIKey=ATNDXVOFIWJDGT-UHFFFAOYSA-N
InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	1109	Nc1ccc(cc1Br)S(=O)(=O)N	InChIKey=KQEVQYJWCZRLTJ-UHFFFAOYSA-N
InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	1110	Nc1ccc(cc1F)S(=O)(=O)N	InChIKey=HVFBADWBKHAPKV-UHFFFAOYSA-N
InChI=1S/C12H14N4O/c17-16-9-12(15-7-5-13-6-8-15)14-10-3-1-2-4-11(10)16/h1-4,9,13H,5-8H2	1111	[O-][n+]1cc(nc2ccccc12)N3CCNCC3	InChIKey=KZTXTPUFEZUBHX-UHFFFAOYSA-N
InChI=1S/C20H34N2O4/c1-15(14-21-11-7-5-8-12-21)26-19(25)16-10-6-9-13-22(16)18(24)17(23)20(2,3)4/h15-16H,5-14H2,1-4H3	1113	CC(CN1CCCCC1)OC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C	InChIKey=PCLCTMUJJXNFHF-UHFFFAOYSA-N
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1	1114	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	InChIKey=AOJJSUZBOXZQNB-VTZDEGQISA-N
InChI=1S/C46H52N2O20S/c1-19-34(51)24(47-43(59)65-16-20-18-69(61,62)40-23(17-64-42(58)44(2,3)4)39(56)48(40)33(20)41(57)68-45(5,6)7)12-28(66-19)67-26-14-46(60,27(50)15-49)13-22-30(26)38(55)32-31(36(22)53)35(52)21-10-9-11-25(63-8)29(21)37(32)54/h9-11,17,19,24,26,28,34,40,49,51,53,55,60H,12-16,18H2,1-8H3,(H,47,59)/b23-17-/t19-,24-,26-,28?,34-,40-,46-/m0/s1	1115	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5C[C@H](NC(=O)OCC6=C(N7[C@H](\C(=C/OC(=O)C(C)(C)C)\C7=O)S(=O)(=O)C6)C(=O)OC(C)(C)C)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	InChIKey=KUJDTIFTQDHDRY-YNMXEYSLSA-N
InChI=1S/C15H13ClO3/c1-19-15-11(9-14(17)18)3-2-4-13(15)10-5-7-12(16)8-6-10/h2-8H,9H2,1H3,(H,17,18)	1116	COc1c(CC(=O)O)cccc1c2ccc(Cl)cc2	InChIKey=JVGIKDMRIDPNHJ-UHFFFAOYSA-N
InChI=1S/C18H14N4O2S/c19-17-16-14(21-18(20)22-17)6-3-7-15(16)25(23,24)13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,19,20,21,22)	1117	Nc1nc(N)c2c(cccc2n1)S(=O)(=O)c3ccc4ccccc4c3	InChIKey=GVFOXCQJLIDWKA-UHFFFAOYSA-N
InChI=1S/C16H18NO4.ClH/c1-17(2,3)9-12-10-5-6-13(18)21-15(10)16(19-4)14-11(12)7-8-20-14;/h5-8H,9H2,1-4H3;1H/q+1;/p-1	1118	[Cl-].COc1c2OC(=O)C=Cc2c(C[N+](C)(C)C)c3ccoc13	InChIKey=YPTFGKOPDLNCLQ-UHFFFAOYSA-M
InChI=1S/C26H37NO3/c1-21(10-11-22-6-3-2-4-7-22)27-18-25(28)20-30-26-14-12-23(13-15-26)16-17-29-19-24-8-5-9-24/h2-4,6-7,12-15,21,24-25,27-28H,5,8-11,16-20H2,1H3	1119	CC(CCc1ccccc1)NCC(O)COc2ccc(CCOCC3CCC3)cc2	InChIKey=IYSSLVYNZYSAIT-UHFFFAOYSA-N
InChI=1S/C16H16FN5/c17-13-4-2-1-3-12(13)8-22-10-21-14-15(18-7-11-5-6-11)19-9-20-16(14)22/h1-4,9-11H,5-8H2,(H,18,19,20)	1122	Fc1ccccc1Cn2cnc3c(NCC4CC4)ncnc23	InChIKey=CVBDJAAGWHDLBV-UHFFFAOYSA-N
InChI=1S/C21H28N2O4/c1-16(15-22-12-6-3-7-13-22)27-21(26)18-11-8-14-23(18)20(25)19(24)17-9-4-2-5-10-17/h2,4-5,9-10,16,18H,3,6-8,11-15H2,1H3/t16?,18-/m0/s1	1123	CC(CN1CCCCC1)OC(=O)[C@@H]2CCCN2C(=O)C(=O)c3ccccc3	InChIKey=ILUNHFJNZYNQAL-DAFXYXGESA-N
InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	1124	CN1N=C(S/C/1=N/C(=O)C)S(=O)(=O)N	InChIKey=FLOSMHQXBMRNHR-QPJJXVBHSA-N
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	1125	CC(=O)Nc1nnc(s1)S(=O)(=O)N	InChIKey=BZKPWHYZMXOIDC-UHFFFAOYSA-N
InChI=1S/C7H14N2/c1-7(2)3-4-9-6(8)5-7/h3-5H2,1-2H3,(H2,8,9)	1126	CC1(C)CCN=C(N)C1	InChIKey=XVBNDSQIBBHCMM-UHFFFAOYSA-N
InChI=1S/C18H13N3S/c19-18-16-10-15(7-8-17(16)20-11-21-18)22-14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H2,19,20,21)	1127	Nc1ncnc2ccc(Sc3ccc4ccccc4c3)cc12	InChIKey=KFJVAFVCJWGTOS-UHFFFAOYSA-N
InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-7-6-10-16(13-14)26-12-11-25-15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3,(H4,20,21,22,23)	1128	CC1(C)N=C(N)N=C(N)N1c2cccc(OCCOc3ccccc3)c2	InChIKey=FLSFYHOJHGHMRO-UHFFFAOYSA-N
InChI=1S/C25H22F3N3O5/c1-15(11-13-31-23(32)30-24(33)36-31)17-5-9-20(10-6-17)34-14-12-21-16(2)35-22(29-21)18-3-7-19(8-4-18)25(26,27)28/h3-11H,12-14H2,1-2H3,(H,30,32,33)/b15-11+	1129	C\C(=C/CN1OC(=O)NC1=O)\c2ccc(OCCc3nc(oc3C)c4ccc(cc4)C(F)(F)F)cc2	InChIKey=DTCVPDIPNHNHBR-RVDMUPIBSA-N
InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)	1130	Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F	InChIKey=KRVABEGPNKGLOT-UHFFFAOYSA-N
InChI=1S/C16H18FN5/c1-16(2,3)21-14-13-15(19-9-18-14)22(10-20-13)8-11-6-4-5-7-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,18,19,21)	1131	CC(C)(C)Nc1ncnc2c1ncn2Cc3ccccc3F	InChIKey=RWMJBLZOYSIUQZ-UHFFFAOYSA-N
InChI=1S/C15H16FN5/c1-10(2)20-14-13-15(18-8-17-14)21(9-19-13)7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(H,17,18,20)	1132	CC(C)Nc1ncnc2c1ncn2Cc3ccccc3F	InChIKey=AAXWJAHBVLDKJZ-UHFFFAOYSA-N
InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	1133	CC1(C)N=C(N)N=C(N)N1c2ccc(F)cc2	InChIKey=IFLSKJWEERCMHE-UHFFFAOYSA-N
InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)	1134	CCCC1CCCC(=N1)N	InChIKey=CISAVHFVACXGDG-UHFFFAOYSA-N
InChI=1S/C6H12N2/c1-7-6-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8)	1135	CNC1=NCCCC1	InChIKey=COYBWDBKVQRBJX-UHFFFAOYSA-N
InChI=1S/C18H20ClN3O3/c1-18(2,3)9-25-17(24)15-14-8-21(4)16(23)12-7-11(19)5-6-13(12)22(14)10-20-15/h5-7,10H,8-9H2,1-4H3	1136	CN1Cc2c(ncn2c3ccc(Cl)cc3C1=O)C(=O)OCC(C)(C)C	InChIKey=FIDOPDPUPDIIFO-UHFFFAOYSA-N
InChI=1S/C18H20ClN3O3/c1-4-12(5-2)25-18(24)16-15-9-21(3)17(23)13-8-11(19)6-7-14(13)22(15)10-20-16/h6-8,10,12H,4-5,9H2,1-3H3	1137	CCC(CC)OC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23	InChIKey=WPFLSCIXFFLQNF-UHFFFAOYSA-N
InChI=1S/C15H23N5/c1-4-5-6-11-7-9-12(10-8-11)20-14(17)18-13(16)19-15(20,2)3/h7-10H,4-6H2,1-3H3,(H4,16,17,18,19)	1138	CCCCc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	InChIKey=PCJOVXVEEYNISX-UHFFFAOYSA-N
InChI=1S/C14H12F3N5/c1-18-12-11-13(20-7-19-12)22(8-21-11)6-9-4-2-3-5-10(9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,18,19,20)	1139	CNc1ncnc2c1ncn2Cc3ccccc3C(F)(F)F	InChIKey=UCJHQBWJPDDNIS-UHFFFAOYSA-N
InChI=1S/C14H15N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3	1140	CN(C)c1ncnc2c1ncn2Cc3ccccc3	InChIKey=MWNWNSRTWCNNOL-UHFFFAOYSA-N
InChI=1S/C50H59NO15/c1-29-35(65-46(58)40(55)39(33-18-12-8-13-19-33)51-45(57)34-20-14-9-15-21-34)25-50(59)44(61-26-32-16-10-7-11-17-32)42-48(6,43(56)41(64-30(2)53)38(29)47(50,4)5)36(63-28-60-23-22-52)24-37-49(42,27-62-37)66-31(3)54/h7-21,35-37,39-42,44,52,55,59H,22-28H2,1-6H3,(H,51,57)/t35?,36-,37+,39-,40+,41+,42?,44-,48+,49-,50+/m0/s1	1141	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OCc4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OCOCCO	InChIKey=SICPEEXGSSRAAE-ZNSKMUNMSA-N
InChI=1S/C11H20N2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H2,12,13)	1142	NC1=NC(CCC1)C2CCCCC2	InChIKey=IWONLBSAXYOQRL-UHFFFAOYSA-N
InChI=1S/C6H9F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h4H,1-3H2,(H2,10,11)	1143	NC1=NCCC(C1)C(F)(F)F	InChIKey=HTZZMLFQUNRRMS-UHFFFAOYSA-N
InChI=1S/C15H13ClO3/c1-19-14-8-10(9-15(17)18)2-7-13(14)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)	1144	COc1cc(CC(=O)O)ccc1c2ccc(Cl)cc2	InChIKey=KCDIBJVGCJHBGU-UHFFFAOYSA-N
InChI=1S/C13H11F2N5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-3-2-4-9(14)10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)	1145	CNc1ncnc2c1ncn2Cc3cccc(F)c3F	InChIKey=YSDYPDMDMYEXPY-UHFFFAOYSA-N
InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	1146	CC1(C)N=C(N)N=C(N)N1c2cccc(F)c2	InChIKey=ONYNMSUZCIJSTA-UHFFFAOYSA-N