SMILES for Glyceraldehyde-3-phosphate dehydrogenase

224 SMILES Strings for Glyceraldehyde-3-phosphate dehydrogenase

Compound Name

SMILES String

BDBM31735

Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21

BDBM50404364

CC(=C)[C@@H]1Cc2c(O1)cc(O)c1ccc(=O)oc21

BDBM50404363

CC(=C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1

BDBM50404367

CC(=C)[C@H]1O[C@@H]1c1c(O)ccc2ccc(=O)oc12

BDBM651557

CC(=N)N1c2sc(C)c(C)c2C(=N[C@@H](CC(=O)Nc2ccc(OCCOCCOCCOCCOCCOCCC(=O)NCCCN(CCCNC(=O)CCNC(=O)c3cc(NC(=O)CCNC(=O)c4nc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)CC(F)(F)F)cc2)C1=N)c1ccc(Cl)cc1 |r,c:12|

BDBM651566

CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)C1CC1 |r|

BDBM651564

CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCN(CC1)C(=O)COCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(CC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)C1CC1 |r,t:25|

BDBM651565

CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCN(CC1)C(=O)COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)C1CC1 |r,t:25|

BDBM50439263

CC(=O)OC1(CCCCC1)N=O

BDBM50320386

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@H]2C1(C)C |r|

BDBM50100474

CC(=O)Oc1cc(OC(C)=O)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50404369

CC(=O)Oc1ccc(cc1)-c1cc2cc(OC(C)=O)ccc2oc1=O

BDBM50198762

CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cc(OC(C)=O)c(OC(C)=O)cc2oc1=O

BDBM50404365

CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccc2OCOc2c1

BDBM50404366

CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccccc1

BDBM50404359

CC(=O)Oc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O

BDBM50439262

CC(C)(C)C(=O)OC1(CCCCC1)N=O

BDBM50404370

CC(C)(C=C)c1cc2ccc(O)cc2oc1=O

BDBM50220736

CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C |r|

BDBM50216862

CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c(C)[nH]c3ccc(NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC45)cc23)C(=O)C1=O |(26.44,-.89,;24.97,-1.34,;24.62,-2.84,;23.85,-.28,;22.37,-.73,;22.02,-2.23,;23.13,-3.27,;22.78,-4.77,;21.31,-5.21,;20.2,-4.16,;18.67,-4.28,;18.08,-2.86,;19.25,-1.86,;20.56,-2.67,;17.86,-5.59,;18.6,-6.95,;20.14,-6.99,;17.79,-8.26,;18.52,-9.62,;16.25,-8.22,;15.44,-9.53,;16.42,-10.73,;17.96,-10.65,;15.58,-12.03,;14.08,-11.63,;12.79,-12.47,;11.42,-11.77,;11.34,-10.23,;9.97,-9.53,;8.63,-10.28,;8.61,-11.82,;7.3,-9.5,;7.32,-7.96,;8.66,-7.2,;8.68,-5.66,;10.02,-4.91,;10.04,-3.37,;11.38,-2.61,;12.7,-3.4,;11.39,-1.07,;12.74,-.32,;12.75,1.22,;14.1,1.98,;15.42,1.19,;15.56,-.34,;17.07,-.67,;17.84,.66,;19.25,1.26,;19.11,2.79,;20.27,3.8,;17.62,3.13,;16.83,1.81,;12.63,-9.39,;14,-10.08,;15.52,-6.87,;13.98,-6.83,;16.32,-5.56,;15.58,-4.21,)|

BDBM50216861

CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(10.47,-14.93,;9.15,-15.73,;9.19,-17.27,;7.8,-15,;6.48,-15.8,;6.54,-17.34,;8.04,-17.62,;8.56,-19.08,;7.56,-20.24,;6.05,-19.96,;4.83,-20.89,;3.56,-20.01,;4,-18.54,;5.54,-18.5,;4.86,-22.43,;6.18,-23.23,;7.53,-22.49,;6.15,-24.77,;7.46,-25.57,;4.8,-25.5,;4.76,-27.04,;5.94,-28.02,;5.37,-29.44,;3.84,-29.34,;2.75,-30.41,;1.27,-30,;.89,-28.51,;1.99,-27.44,;3.47,-27.85,;7.48,-28.01,;7.49,-29.55,;7.46,-26.47,;9.01,-27.99,;9.8,-29.31,;3.48,-24.72,;2.13,-25.46,;3.51,-23.18,;2.19,-22.39,)|

BDBM50369414

CC(C)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50030953

CC(C)COC(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12

BDBM31741

CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|

BDBM50366559

CC(C)Nc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50369412

CC(CO)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM651537

CC(c1ccccc1)n1c(nc2cnc(cc12)C1CCN(CCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)CC1)-c1cc(C)c(=O)n(C)n1

BDBM50292575

CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|

BDBM50361397

CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 |c:17|

BDBM50404368

CC1=C2C(COc3ccc4ccc(=O)oc4c23)OC1=O |t:1|

BDBM50369415

CCC(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM42071

CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1

BDBM50486727

CCC(O)\C=C\C=O

BDBM50242402

CCCCCC(O)\C=C\C=O

BDBM31764

CCCCCc1nnc(NC(=O)Cc2cccs2)s1

BDBM31742

CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|

BDBM651568

CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOc6ccc(NC(=O)C[C@@H]7N=C(c8c(C)c(C)sc8-n8c(C)nnc78)c7ccc(Cl)cc7)cc6)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:86|

BDBM651567

CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOc6ccc(NC(=O)C[C@@H]7N=C(c8c(C)c(C)sc8-n8c(C)nnc78)c7ccc(Cl)cc7)cc6)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:83|

BDBM651570

CCCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOc6ccc(NC(=O)C[C@@H]7N=C(c8c(C)c(C)sc8-n8c(C)nnc78)c7ccc(Cl)cc7)cc6)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:86|

BDBM651569

CCCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)COCCOCCOCCOCCOCCOCCOCCO\C(CC)=C\C=C(/C)NC(=O)C[C@@H]6N=C(c7c(C)c(C)sc7-n7c(C)nnc67)c6ccc(Cl)cc6)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:86|

BDBM651587

CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)COCCOCCOCCN6CCN(CC7CCNCC7)CC6)cn5C)cn4C)cn3C)cn2C)cn1C

BDBM651588

CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCN)cn5C)cn4C)cn3C)cn2C)cn1C

BDBM31734

CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|

BDBM50144454

CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O |r|

BDBM50030962

CCOc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12

BDBM50369053

CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM651572

CN(CCCN(C)C(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCN(C)C(=O)CCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1 |r,c:105|

BDBM651571

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCN(C)C(=O)CCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1 |r,c:104|

BDBM651578

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCNC(=O)CCOCCOCCOCCOCCOCCCc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1 |r,c:103|

BDBM651552

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)c1ncc(cn1)-c1ccc2N([C@H](CN(Cc3ccccc3CO)c2c1)C1CC1)C(C)=O |r|

BDBM651534

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCNC(=O)CCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1 |r,c:103|

BDBM651579

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCNC(=O)CCOCCOCCOCCOCCOCCOc1cccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)c1 |r,c:104|

BDBM651551

CN(CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2nc(NC(=O)c3nc(NC(=O)CCNC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)CCCNC(=O)CCOCCOCCOCCOCCOCC(=O)N1CCC(=CC1)c1ccc2N([C@H](CN(Cc3ccccc3CO)c2c1)C1CC1)C(C)=O |r,c:97|

BDBM651574

CN(CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:41|

BDBM651573

CN(CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:38|

BDBM651541

CN(CCCNC(=O)CCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:35|

BDBM651575

CN(CCCNC(=O)COCCOCCOCCOCCOCCOCCOCCOc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cc1)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C |r,c:40|

BDBM31745

COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|

BDBM651544

COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCN(CC1)C(=O)COCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r,wU:3.3,(36.58,.7,;37.91,-.07,;37.91,-1.61,;39.06,-2.64,;40.51,-2.14,;38.76,-4.15,;37.36,-4.78,;37.52,-6.31,;39.02,-6.63,;39.79,-7.96,;41.33,-7.96,;42.1,-6.63,;43.64,-6.63,;44.41,-5.3,;45.95,-5.35,;46.86,-4.1,;46.39,-2.64,;48.32,-4.58,;48.32,-6.12,;46.86,-6.59,;46.4,-8.06,;43.64,-3.96,;44.44,-2.64,;43.71,-1.29,;42.1,-3.96,;41.33,-5.3,;39.79,-5.3,;36.01,-4.03,;34.68,-4.8,;33.34,-4.03,;33.34,-2.49,;34.68,-1.72,;36.01,-2.49,;32.03,-1.68,;32.08,-.14,;30.7,-2.45,;29.36,-1.68,;28.03,-2.45,;26.69,-1.7,;25.35,-2.47,;24.02,-1.7,;22.69,-2.47,;21.36,-1.7,;20.02,-2.47,;18.68,-1.71,;17.34,-2.48,;16.01,-1.71,;14.68,-2.48,;13.34,-1.71,;12.01,-2.48,;10.67,-1.73,;9.33,-2.5,;9.3,-4.04,;8,-1.73,;6.66,-2.5,;5.33,-1.73,;4,-2.49,;2.66,-1.73,;2.64,-.19,;1.33,-2.52,;0,-1.74,;-1.32,-2.53,;-2.66,-1.76,;-4.16,-2.11,;-4.16,-3.65,;-5.49,-1.33,;-6.82,-2.1,;-8.15,-1.33,;-9.49,-2.1,;-9.49,-3.64,;-10.82,-1.33,;-11.3,.13,;-12.84,.13,;-14.17,.9,;-15.5,.13,;-15.5,-1.41,;-16.84,.9,;-18.17,.13,;-19.51,.9,;-20.84,.13,;-20.68,-1.4,;-22.33,.53,;-22.8,2,;-24.34,2,;-25.88,2,;-27.22,1.22,;-27.22,-.31,;-28.55,2,;-29.03,3.46,;-30.57,3.46,;-31.83,4.34,;-33.16,3.57,;-33.16,2.03,;-34.49,4.34,;-35.83,3.57,;-37.16,4.34,;-38.49,3.57,;-38.49,2.03,;-39.83,4.34,;-40.3,5.81,;-41.84,5.81,;-43.16,6.6,;-44.5,5.83,;-44.49,4.29,;-45.83,6.6,;-46.31,8.06,;-47.85,8.06,;-48.32,6.6,;-47.08,5.69,;-47.08,4.15,;-42.32,4.34,;-41.07,3.44,;-41.07,1.9,;-31.04,2,;-29.8,1.09,;-29.8,-.45,;-24.82,.53,;-23.57,-.37,;-23.57,-1.91,;-13.31,-1.33,;-12.07,-2.24,;-12.07,-3.78,)|

BDBM651562

COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCN(CC1)C(=O)COCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r,wU:3.3,(32.47,.88,;33.99,1.15,;35,-.01,;36.5,.3,;36.99,1.76,;37.27,-1.03,;36.8,-2.49,;38.04,-3.4,;39.29,-2.49,;40.8,-2.81,;41.83,-1.67,;41.35,-.21,;42.38,.94,;41.91,2.4,;42.96,3.53,;42.48,4.99,;40.99,5.39,;43.73,5.9,;44.97,4.99,;44.5,3.53,;45.27,2.2,;40.4,2.72,;39.99,4.21,;38.49,4.59,;39.37,1.58,;39.85,.11,;38.81,-1.03,;35.33,-2.95,;34.85,-4.42,;33.35,-4.74,;32.32,-3.6,;32.79,-2.13,;34.3,-1.81,;30.89,-4.18,;30.67,-5.71,;29.56,-3.41,;28.24,-4.2,;26.9,-3.43,;25.57,-4.2,;24.24,-3.43,;22.9,-4.2,;21.58,-3.41,;20.26,-4.2,;18.92,-3.43,;17.59,-4.2,;16.26,-3.42,;14.92,-4.19,;13.59,-3.42,;12.26,-4.21,;10.93,-3.44,;9.6,-4.21,;8.26,-3.44,;6.93,-4.21,;5.6,-3.44,;4.27,-4.22,;2.94,-3.45,;1.6,-4.22,;.27,-3.45,;-1.06,-4.22,;-1.06,-5.76,;-2.4,-3.45,;-3.73,-4.22,;-5.06,-3.45,;-6.4,-4.22,;-6.4,-5.76,;-7.73,-3.45,;-8.21,-1.99,;-9.75,-1.99,;-10.98,-1.07,;-12.31,-1.84,;-12.31,-3.38,;-13.64,-1.05,;-14.98,-1.82,;-16.31,-1.06,;-17.64,-1.83,;-17.64,-3.37,;-19.18,-1.83,;-19.66,-.36,;-21.2,-.36,;-22.74,-.41,;-24.07,-1.18,;-24.05,-2.72,;-25.42,-.43,;-25.9,1.03,;-27.44,1.03,;-28.71,1.9,;-30.04,1.13,;-30.04,-.41,;-31.38,1.9,;-32.71,1.13,;-34.05,1.89,;-35.38,1.12,;-35.38,-.42,;-36.72,1.89,;-37.19,3.35,;-38.73,3.35,;-40.11,4.04,;-41.44,3.27,;-41.44,1.73,;-42.78,4.04,;-43.25,5.51,;-44.79,5.51,;-45.27,4.04,;-44.02,3.14,;-44.02,1.6,;-39.21,1.89,;-37.96,.98,;-37.97,-.56,;-27.91,-.44,;-26.66,-1.34,;-26.72,-2.88,;-21.68,-1.83,;-20.43,-2.73,;-20.43,-4.27,;-10.22,-3.45,;-8.98,-4.36,;-8.98,-5.9,)|

BDBM651563

COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCN(CC1)C(=O)COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r,wU:3.3,(36.5,.89,;37.83,.12,;37.83,-1.42,;39.17,-2.19,;40.64,-1.74,;38.82,-3.69,;37.41,-4.31,;37.58,-5.85,;39.08,-6.17,;39.85,-7.5,;41.39,-7.5,;42.16,-6.17,;43.7,-6.17,;44.47,-4.83,;46.01,-4.83,;46.92,-3.59,;46.48,-2.11,;48.38,-4.06,;48.38,-5.6,;46.92,-6.08,;46.4,-7.53,;43.7,-3.5,;44.59,-2.24,;43.93,-.84,;42.16,-3.5,;41.39,-4.83,;39.85,-4.83,;36.07,-3.57,;34.74,-4.34,;33.4,-3.57,;33.4,-2.03,;34.74,-1.26,;36.07,-2.03,;32.06,-1.26,;32.06,.28,;30.72,-2.01,;29.39,-1.24,;28.05,-2.01,;26.72,-1.24,;25.39,-2.01,;24.05,-1.24,;22.72,-2.01,;21.38,-1.24,;20.05,-2.01,;18.72,-1.24,;17.38,-2.01,;16.05,-1.24,;14.72,-2.01,;13.38,-1.24,;12.05,-2.01,;10.72,-1.24,;9.38,-2.01,;8.05,-1.24,;6.71,-2.01,;5.38,-1.24,;4.05,-2.01,;2.71,-1.24,;1.38,-2.01,;.05,-1.22,;-1.28,-1.99,;-2.61,-1.22,;-3.95,-1.99,;-3.95,-3.53,;-5.28,-1.22,;-6.61,-1.99,;-7.95,-1.22,;-9.28,-1.99,;-9.03,-3.51,;-10.72,-1.44,;-11.2,.02,;-12.74,.02,;-14.07,.79,;-15.41,.02,;-15.41,-1.52,;-16.74,.79,;-18.07,.02,;-19.41,.79,;-20.74,.02,;-20.47,-1.5,;-22.27,.19,;-22.75,1.65,;-24.29,1.65,;-25.83,1.65,;-27.16,.88,;-27.07,-.66,;-28.54,1.57,;-29.01,3.03,;-30.55,3.03,;-31.89,3.8,;-33.22,3.03,;-33.22,1.49,;-34.56,3.8,;-35.89,3.03,;-37.22,3.8,;-38.56,3.03,;-38.63,1.5,;-39.85,3.87,;-40.33,5.33,;-41.87,5.33,;-43.2,6.1,;-44.54,5.33,;-44.48,3.79,;-45.89,6.06,;-46.37,7.53,;-47.91,7.53,;-48.38,6.06,;-47.14,5.16,;-47.14,3.62,;-42.34,3.87,;-41.1,2.96,;-41.1,1.42,;-31.03,1.57,;-29.78,.66,;-29.78,-.88,;-24.76,.19,;-23.52,-.72,;-23.52,-2.26,;-13.21,-1.44,;-11.97,-2.35,;-12,-3.89,)|

BDBM651538

COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCN(CCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)CC1 |r,wU:3.3,(37.01,3.19,;38.1,2.1,;37.7,.61,;38.79,-.48,;40.27,-.08,;38.39,-1.97,;36.98,-2.59,;37.14,-4.13,;38.65,-4.45,;39.42,-5.78,;40.96,-5.78,;41.73,-4.45,;43.27,-4.45,;44.04,-3.11,;45.58,-3.11,;46.48,-1.87,;46.08,-.38,;47.95,-2.34,;47.95,-3.88,;46.48,-4.36,;46.08,-5.85,;43.27,-1.78,;44.04,-.44,;43.27,.89,;41.73,-1.78,;40.96,-3.11,;39.42,-3.11,;35.65,-1.82,;34.31,-2.59,;32.98,-1.82,;32.98,-.28,;31.65,.49,;30.31,-.28,;28.98,.49,;27.64,-.28,;26.31,.49,;24.98,-.28,;23.64,.49,;22.31,-.28,;20.98,.49,;19.64,-.28,;18.31,.49,;16.97,-.28,;15.64,.49,;14.31,-.28,;12.97,.49,;11.64,-.28,;10.31,.49,;8.97,-.28,;8.97,-1.82,;7.64,.49,;6.31,-.28,;4.97,.49,;3.64,-.28,;2.3,.49,;2.3,2.03,;.97,-.28,;-.36,.49,;-1.7,-.28,;-3.03,.49,;-4.36,-.28,;-3.97,-1.77,;-5.85,.11,;-6.94,-.97,;-8.43,-.58,;-9.52,-1.66,;-9.12,-3.15,;-11.06,-1.66,;-11.53,-.2,;-13.07,-.2,;-14.56,.2,;-15.65,-.89,;-15.25,-2.38,;-17.14,-.49,;-18.23,-1.58,;-19.71,-1.18,;-20.8,-2.27,;-20.21,-3.69,;-22.34,-2.27,;-22.82,-.81,;-24.36,-.81,;-25.85,-.41,;-26.94,-1.5,;-26.54,-2.98,;-28.42,-1.1,;-28.9,.37,;-30.44,.37,;-31.77,1.14,;-33.11,.37,;-33.11,-1.17,;-34.44,1.14,;-35.77,.37,;-37.11,1.14,;-38.44,.37,;-38.44,-1.17,;-39.77,1.14,;-40.25,2.6,;-41.79,2.6,;-42.88,3.69,;-44.37,3.29,;-44.77,1.8,;-45.46,4.38,;-45.93,5.85,;-47.47,5.85,;-47.95,4.38,;-46.7,3.48,;-46.7,1.94,;-42.27,1.14,;-41.02,.23,;-41.02,-1.31,;-30.91,-1.1,;-29.67,-2,;-29.67,-3.54,;-24.83,-2.27,;-23.59,-3.18,;-23.59,-4.72,;-13.55,-1.66,;-12.3,-2.57,;-12.3,-4.11,;34.31,.49,;35.65,-.28,)|

BDBM50404361

COc1c2CCOc2cc2oc(=O)ccc12

BDBM50100467

COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1

BDBM50100483

COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O

BDBM50100479

COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12

BDBM50100469

COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12

BDBM50100471

COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50068149

COc1cc(ccc1O)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12

BDBM50156693

COc1cc2ccc(=O)oc2cc1O

BDBM50114358

COc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 |t:7|

BDBM42075

COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1

BDBM50144453

COc1ccc(cc1)-n1nc2c(cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ccccc23)c1=O |r|

BDBM50100470

COc1ccc(cc1OC)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM651591

COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|

BDBM651535

COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|

BDBM651549

COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|

BDBM651539

COc1ccc-2c(c1)C(=N[C@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4nc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|

BDBM651550

COc1ccc-2c(c1)C(=N[C@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|

BDBM50068148

COc1cccc(C(=O)NC2C(O)C(CO)OC2n2cnc3c(N)ncnc23)c1O

BDBM50404371

COc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O

BDBM50030966

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)nc(C)nc12

BDBM50030947

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12

BDBM50068157

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NC(=O)C(C)C)ncnc12

BDBM50068152

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cc(C)ccc3C)ncnc12

BDBM50068153

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cccc(C)c3C)ncnc12

BDBM50068142

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12

BDBM50068147

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3C)ncnc12

BDBM50068155

COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3OC)ncnc12

BDBM50144455

COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50144451

COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50144452

COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H](C(O)C2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50100468

COc1cccc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O

BDBM50030968

COc1cccc(c1)C(=O)N[C@@H]1CCC[C@H]1n1cnc2c(N)ncnc12

BDBM50100488

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12

BDBM50100472

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12

BDBM50100482

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccc(OC)c4ccccc34)ncnc12

BDBM50096600

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r|

BDBM50096597

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50096598

COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r|

BDBM50114357

COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12 |t:9|

BDBM29615

COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

BDBM50030943

COc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1NC(=O)c1ccccc1

BDBM31750

CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM651560

C[C@@H](c1cccc(C)n1)n1cc(-c2ccc(cc2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)c2ncc(cc12)-c1c(C)noc1C |r|

BDBM651543

C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCN(CC1)C(=O)COCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2nc(NC(=O)c3nc(NC(=O)CCNC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C)-c1cc(C)c(=O)n(C)n1 |r|

BDBM651536

C[C@@H](c1ccccn1)n1cc(-c2ccc(cc2)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)c2ncc(cc12)-c1c(C)noc1C |r|

BDBM651561

C[C@@H](c1ccccn1)n1cc(-c2ccc(cc2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)c2ncc(cc12)-c1c(C)noc1C |r|

BDBM50320387

C[C@@]12CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]1C[C@@H]1Nc3ccccc3[C@H]21 |r|

BDBM651553

C[C@H]1CC(Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r|

BDBM651583

C[C@H]1CC(Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)COCCOCCOCCN5CCN(CC6CCNCC6)CC5)cn4C)cn3C)cn2C)cn1C |r|

BDBM651589

C[C@H]1CC(Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(C)=N)cn5C)cn4C)cn3C)cn2C)cn1C |r|

BDBM651555

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r|

BDBM651556

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C |r|

BDBM651582

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCC(N)=N)cn4C)cn3C)cn2C)cn1C |r|

BDBM651584

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCNC(=O)c3cc(NC(=O)c4nc(NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)cn4C)cn3C)cn2C)cn1C |r|

BDBM651586

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)COCCOCCOCCNC(N)=N)cn5C)cn4C)cn3C)cn2C)cn1C |r|

BDBM651585

BDBM31727

Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|

BDBM31737

Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1

BDBM42074

Cc1cc(NC(=O)Cc2ccc(C)cc2)no1

BDBM31765

Cc1cc(NC(=O)Cc2cccs2)no1

BDBM42072

Cc1cc(NC(=O)\C=C\c2cccs2)no1

BDBM42073

Cc1cc(NC(=O)c2cccs2)no1

BDBM50030950

Cc1ccc(cc1)C(=O)NCCn1cnc2c(N)ncnc12

BDBM31756

Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|

BDBM31758

Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|

BDBM50369411

Cc1cccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|

BDBM42070

Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC1)c1ccccc1

BDBM50080390

Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50030961

Cc1nc(N)c2[nH]cnc2n1

BDBM50368901

Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM651592

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NC1CCN(CCOCCOCCOCCOCCOCCC(=O)NCCCN(CCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)CC(F)(F)F)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651580

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(CCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3cc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651590

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651558

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCC(=O)N3CCN(CCOCCOCCOCCNC(=O)CCNC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCNC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)CC3)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651559

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCN3CCN(CCOCCOCCOCCNC(=O)CCNC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCNC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)CC3)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651577

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCC(=O)NCCCCCCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651576

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCC(=O)NCCCOCCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651545

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651546

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651542

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651547

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651593

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5cc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)nc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651540

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651554

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCNC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651548

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651581

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1cccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3cc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM651594

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1cncc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)CCNC(=O)c6cc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

BDBM41877

Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1

BDBM50439261

FC(F)(F)C(=O)OC1(CCCCC1)N=O

BDBM45440

NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1

BDBM50366763

NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|

BDBM50366561

NC(=O)c1ccccc1C(=O)NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|

BDBM81264

NCCc1cc(O)c(O)cc1O

BDBM50030955

NCCn1c(nc2c(N)ncnc12)-c1cccs1

BDBM41993

NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|

BDBM50369417

Nc1ccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|

BDBM50030946

Nc1ncnc2n(C3OC(CO)C(O)C3NC(=O)c3ccccc3)c(Br)nc12

BDBM50030944

Nc1ncnc2n(C3OC(CO)C(O)C3NC(=O)c3ccccc3)c(nc12)-c1cccs1

BDBM50369054

Nc1ncnc2n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c(SC3CCCCC3)nc12 |r|

BDBM50369052

Nc1ncnc2n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c(Sc3ncccn3)nc12 |r|

BDBM50030956

Nc1ncnc2n(CCNC(=O)c3cccc(Cl)c3)cnc12

BDBM50030954

Nc1ncnc2n(CCNC(=O)c3cccc(F)c3)cnc12

BDBM50030957

Nc1ncnc2n(CCNCc3ccccc3)c(nc12)-c1cccs1

BDBM50422031

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|

BDBM50030949

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1

BDBM50068145

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)c(O)c(O)c1

BDBM50068143

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)cc(O)c1

BDBM50030948

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc(cc1)-c1ccccc1

BDBM50030960

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc2cccnc2c1

BDBM50030963

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc2nc[nH]c2c1

BDBM50030952

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccc(Cl)c1

BDBM50068150

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccc(O)c1

BDBM50037777

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1

BDBM50037775

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccs1

BDBM50030945

Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NCc1ccccc1

BDBM50369051

Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|

BDBM50366563

Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O |r|

BDBM50030964

Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1

BDBM50030965

Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1

BDBM50030969

Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1

BDBM14487

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM31754

O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1

BDBM37440

O=C(Cc1cccs1)Nc1ccon1

BDBM50114360

O=C1C=C(Oc2ccccc2)C(=O)c2ccccc12 |t:2|

BDBM12342

O=c1ccc2ccccc2o1

BDBM50404372

O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccc[nH]1

BDBM50404358

O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccco1

BDBM41996

OC(=O)C1Nc2c(I)cccc2C2C=CCC12 |c:14|

BDBM31748

OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|

BDBM31757

OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|

BDBM31761

OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|

BDBM41956

OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|

BDBM31729

OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|

BDBM31740

OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|

BDBM31723

OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|

BDBM41998

OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12

BDBM31759

OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

BDBM50100493

OCC1OC(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@H]1O

BDBM50253982

OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl

BDBM50367410

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|

BDBM50369416

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Sc3ccccc3CO)ncnc12 |r|

BDBM50368176

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|

BDBM50100481

OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12

BDBM50100476

OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50100465

OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(O)cc(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50100475

OC[C@H]1O[C@H]([C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12

BDBM25400

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

BDBM50408666

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|

BDBM50085667

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12

BDBM50241166

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|

BDBM50366562

O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|

BDBM50324683

Oc1ccc(CCNc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1O

BDBM50318642

Oc1ccc(cc1)-c1cc2ccccc2oc1=O

BDBM50174558

Oc1ccc2ccc(=O)oc2c1

BDBM50404362

Oc1cccc(c1)-c1cc2ccccc2oc1=O

BDBM50114359

Oc1cccc2C(=O)C(Oc3ccccc3)=CC(=O)c12 |c:16|

BDBM50404360

Oc1cccc2cc(-c3ccc4OCOc4c3)c(=O)oc12

BDBM50240512

[#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50366560

[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(-[#6]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])c(nc12)-c1cccs1 |r|

BDBM50369413

[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|

BDBM50439264

[O-]N([O-])N=O

BDBM50089916

[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1