BindingDB logo
myBDB logout

6794 SMILES Strings for Adenosine receptor A1

Compound NameSMILES String
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM21213 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
BDBM35778 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1
BDBM6643 COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM15336 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM14361 COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
BDBM21015 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
BDBM21174 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
BDBM10850 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21229 CCCOc1cc(NC(=O)CC)nc(SCCC)n1
BDBM21207 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21188 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
BDBM21204 CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21192 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21209 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM14774 FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
BDBM21203 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21233 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
BDBM21208 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21211 CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM21214 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
BDBM21172 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
BDBM21226 CCCSc1nc(NC(C)=O)cc(OC)n1
BDBM21182 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
BDBM21198 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
BDBM21238 CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
BDBM21239 CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
BDBM21217 Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM21218 Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
BDBM21199 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
BDBM21225 CCCOc1cc(NC(=O)CC)nc(SC)n1
BDBM21219 CC1CSc2nc3nn[nH]c3c(=O)n12
BDBM21183 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21240 CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
BDBM21200 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21242 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
BDBM21185 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
BDBM21184 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM21222 COc1cc(NC(C)=O)nc(SC)n1
BDBM21215 c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
BDBM21216 CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM21237 CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
BDBM21212 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21186 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
BDBM21193 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21235 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
BDBM21227 CCCSc1nc(NC(=O)CC)cc(OC)n1
BDBM21228 CCCOc1cc(NC(C)=O)nc(SCCC)n1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21187 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
BDBM21201 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21232 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
BDBM21202 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
BDBM21231 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
BDBM21205 CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21195 CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21176 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
BDBM21234 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
BDBM21196 CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21197 CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM21179 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
BDBM21178 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21177 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
BDBM21181 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
BDBM21210 CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21223 CCC(=O)Nc1cc(OC)nc(SC)n1
BDBM21224 CCCOc1cc(NC(C)=O)nc(SC)n1
BDBM21190 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
BDBM21230 CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
BDBM21180 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
BDBM21194 CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21206 CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21236 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
BDBM21175 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM26236 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM26240 COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
BDBM26234 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26253 CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26239 COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26252 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1
BDBM26244 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1
BDBM26241 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM26248 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1
BDBM26249 CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26235 COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26233 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
BDBM26257 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
BDBM26242 COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM26232 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
BDBM26231 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
BDBM26246 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
BDBM26247 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1
BDBM26245 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1
BDBM26250 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1
BDBM26254 COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26251 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1
BDBM26238 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
BDBM26256 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26237 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26255 COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26243 CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM22111 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM28422 C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM25397 Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM25398 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM22231 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
BDBM25399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25395 Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM25396 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25394 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM50335696 CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335694 CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335695 CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335698 CCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
BDBM50335699 CCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
BDBM50335703 CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335706 CCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
BDBM50335708 CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335720 CCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50335721 CCCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50335726 CCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335727 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335729 CCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
BDBM50335730 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
BDBM50335734 CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335735 CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335739 CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335752 CCCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
BDBM50335742 CCCC(=O)Nc1nc(cc(n1)-c1cccs1)-c1cccs1
BDBM50335740 CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335743 CCCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
BDBM50335750 CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50335751 CCCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
BDBM50335688 CCCC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335689 CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
BDBM50335690 CCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335691 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335692 CCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335693 CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM35784 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
BDBM35785 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
BDBM35812 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35839 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35799 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35800 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35801 Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1
BDBM35786 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35787 Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35832 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1
BDBM35815 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35816 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35780 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1
BDBM35781 Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35782 COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1
BDBM35817 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N
BDBM35783 Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1
BDBM35818 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N
BDBM35819 COc1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM32371 CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM35813 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35814 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35837 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35802 Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1
BDBM35803 COc1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35829 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
BDBM35830 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C
BDBM35798 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35797 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35776 Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1
BDBM22926 CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM50334284 O=C1Nc2ccc(OCc3ccccc3)cc2C1=O
BDBM35835 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C
BDBM35794 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35795 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35774 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
BDBM35775 Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35838 CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35796 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35836 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
BDBM35828 CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35811 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35807 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl
BDBM35808 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1
BDBM35809 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C
BDBM35831 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1
BDBM35790 Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1
BDBM35791 Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1
BDBM35824 Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1
BDBM35825 Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1
BDBM35826 CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35792 Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1
BDBM35777 COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35779 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1
BDBM50188542 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
BDBM50188543 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
BDBM50188544 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
BDBM50188545 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
BDBM50188546 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
BDBM50188547 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50188548 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
BDBM50188549 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50188550 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188551 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
BDBM35806 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1
BDBM35793 Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35827 CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35820 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C
BDBM35821 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35822 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C
BDBM35788 Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1
BDBM35789 Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1
BDBM35823 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C
BDBM35810 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35833 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
BDBM35805 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F
BDBM50176833 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
BDBM50176835 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
BDBM50091117 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50170143 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1
BDBM35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
BDBM50106541 N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50106542 CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50084860 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50084861 Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCO)c(=O)n(CC#C)c(=O)c12
BDBM50020979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCC(=O)OCC
BDBM50020980 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(=O)(=O)NCCN(C)C
BDBM50106543 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
BDBM50037420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1
BDBM50037421 CCCCn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037422 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50037424 CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
BDBM50037425 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(O)=O)cc1
BDBM50037426 Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037427 CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037428 CCCCn1c2nc(\C=C\C(=O)OC)n(C)c2c(=O)n(CCCC)c1=O
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037431 CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O
BDBM50037432 CCCCn1c2nc(CCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037433 CCCCCCn1c2nc[nH]c2c(=O)n(CCCCCC)c1=O
BDBM50021449 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O
BDBM35843 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM50088420 OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50018575 Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1
BDBM50018576 Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50018577 CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1
BDBM50018578 Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O
BDBM50018579 CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
BDBM50018580 CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O
BDBM50018581 CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O
BDBM50018582 Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12
BDBM50018583 CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1
BDBM50018584 Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
BDBM50101787 Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101788 FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101789 Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101790 O=C(Nc1nc(cs1)-c1ccccc1)c1ccccc1
BDBM50051339 COc1cc(OC)c(c(OC)c1)-c1oc2ccccc2c(=O)c1O |(16.48,-10.59,;16.35,-9.06,;14.97,-8.39,;13.7,-9.27,;12.32,-8.6,;11.06,-9.48,;11.17,-11,;12.21,-7.08,;13.47,-6.2,;13.34,-4.68,;14.84,-4.26,;14.85,-6.85,;10.82,-6.41,;9.54,-7.29,;8.16,-6.63,;6.92,-7.51,;5.51,-6.85,;5.38,-5.32,;6.66,-4.44,;8.04,-5.09,;9.3,-4.22,;9.18,-2.7,;10.69,-4.87,;11.96,-4.01,)|
BDBM50051340 Oc1ccccc1C1CC(=O)c2ccccc2O1
BDBM50051343 CCCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051344 COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051347 CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50199967 COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
BDBM50041912 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1
BDBM50041905 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
BDBM50041906 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50013711 Nc1ncnc2n(cnc12)C1CCCCC1
BDBM50013721 Nc1ncnc2nc(Br)[nH]c12
BDBM50101781 Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101782 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101783 Brc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101784 Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101785 CC(C)(C)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50101786 Clc1ccc(C(=O)Nc2nc(cs2)-c2ccccc2)c(Cl)c1
BDBM50005384 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
BDBM50005379 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20|
BDBM50013702 Nc1ncnc2n(cnc12)C1CCCCCC1
BDBM50041581 Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50079451 CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
BDBM50041895 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O
BDBM50170133 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1
BDBM50170134 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O
BDBM50157672 CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157654 CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157655 CC(C)(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157656 CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157657 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50157658 CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157659 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157660 CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157673 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50171355 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(F)c2)s1
BDBM50170135 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C
BDBM50157675 CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157676 CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157677 CC(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157678 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
BDBM50157679 CCCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157680 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50157682 CC(C)(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157683 CC(C)(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50170128 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1
BDBM50170129 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1
BDBM50170130 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1
BDBM50170131 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 |c:18|
BDBM50170132 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50170136 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18|
BDBM50170137 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O |t:18|
BDBM50170138 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O
BDBM50170139 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C
BDBM50170140 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1
BDBM50170141 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O
BDBM50170142 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O |t:18|
BDBM50157661 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
BDBM50157662 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CC1
BDBM50157663 CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157664 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
BDBM50157665 CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157666 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
BDBM50157667 Clc1cccc(c1)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50171356 COc1ccc(-c2ccc-3c(Cc4sc([NH3+])nc-34)c2)c(OC)c1OC
BDBM50171357 COc1cccc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171358 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)C(F)(F)F)s1
BDBM50171359 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)[N+]([O-])=O)s1
BDBM50171360 Cc1cc(Cl)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171361 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2F)s1
BDBM50159958 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50159959 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
BDBM50159960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
BDBM50157653 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1
BDBM50013706 Nc1ncnc2n(Cc3ccccc3)cnc12
BDBM50138941 C\N=c1/nc(-c2ccccc2)n(s1)-c1cccc(C)c1
BDBM50138943 COc1ccc(cc1)-n1s\c(=N\C)nc1-c1ccccc1
BDBM50138944 CC\N=c1/nc(-c2ccc(C)cc2)n(s1)-c1ccc(C)cc1
BDBM11940 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
BDBM50120759 Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50179049 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1
BDBM50021448 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
BDBM50034392 Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
BDBM50034393 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3ccc(O)cc3c(=O)c12
BDBM50034394 CCCOc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50034395 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCc4ccccc4)ccc3c(=O)c12
BDBM50023390 CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50034400 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034401 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
BDBM50034402 Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12
BDBM50034403 Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2oc3ccccc3c(=O)c12
BDBM50034404 Cc1nn(-c2cccc(O)c2)c2nc3ccccc3c(O)c12
BDBM50061949 Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50106540 [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6@@H](-[#6]-[#8])-[#8]-[#6@H](-[#6@@H]1-[#8])-n1cnc2c(-[#7])ncnc12
BDBM50106535 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50021086 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
BDBM50106536 N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50185934 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50122928 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
BDBM50122929 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50122930 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12
BDBM50094037 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50141451 Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50147875 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1
BDBM50147876 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1
BDBM50147877 CCCc1cc(O)c2ccc(C)nc2n1
BDBM50147878 CSc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147879 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147880 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147881 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1
BDBM50199968 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1 |r|
BDBM50199969 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1 |r|
BDBM50199972 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1 |r|
BDBM50014323 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
BDBM50059375 COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
BDBM50059376 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
BDBM50020986 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
BDBM50020987 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
BDBM50037423 CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
BDBM50021077 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
BDBM50021078 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
BDBM50015821 CCNc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50061945 O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
BDBM50061946 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C1CCCCC1
BDBM50061947 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061948 CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9|
BDBM50061950 Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM35844 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1
BDBM50122926 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
BDBM50122927 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
BDBM50106538 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
BDBM50106539 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50083917 Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
BDBM50005376 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1
BDBM50141447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12
BDBM50141448 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12
BDBM50141449 Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141450 Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50037434 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
BDBM50037435 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50037436 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1
BDBM50182962 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1
BDBM50182963 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCCC1
BDBM50182964 CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM19254 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM50182961 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)[N+]([O-])=O
BDBM50182965 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccc(OC)cc1
BDBM50182966 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCc1ccccc1
BDBM50182967 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(OC)c1
BDBM50182968 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCCC1
BDBM50182973 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(N)CCCCC1
BDBM50182974 CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182975 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(I)nc12
BDBM50182969 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCC(C)O
BDBM50182970 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(O)=O
BDBM50182971 CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182972 CCCCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50041600 Cn1c2cc(-c3ccc4ccccc4c3)n(O)c2c(=O)n(C)c1=O
BDBM50176063 Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50041601 CCCn1c2ccn(C)c2c(=O)n(CCC)c1=O
BDBM35834 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
BDBM35845 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088423 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50088424 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50088425 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088426 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
BDBM50088427 Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50041602 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
BDBM50141452 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12
BDBM50141453 CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141454 Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141455 Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141456 Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50021008 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
BDBM50021009 Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020965 COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020967 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
BDBM50020968 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50020969 Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020970 COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50051336 CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50051337 CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
BDBM50020850 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1C(O)=O
BDBM50020851 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)C(O)=O
BDBM50020852 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
BDBM50020853 Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50007853 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
BDBM50007854 CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007855 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
BDBM50007856 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
BDBM50159965 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1
BDBM50159966 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1
BDBM50159967 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1
BDBM50159968 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50159969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1
BDBM50047176 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
BDBM50159970 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
BDBM50011222 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1
BDBM50048467 CCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048468 COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O
BDBM50048469 CCOC(=O)c1sc(SC)c2c1CCC\C2=N\OC
BDBM50004587 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
BDBM50199270 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 |THB:6:17:20:22.24,23:22:20:18.17,23:24:20:18.17|
BDBM50199271 CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O |wU:7.6,wD:10.13,(.75,-15.2,;-.58,-15.97,;-1.91,-15.2,;-3.25,-15.97,;-4.58,-15.2,;-5.92,-15.97,;-7.25,-15.2,;-5.91,-17.51,;-4.58,-18.29,;-4.58,-19.83,;-5.91,-20.59,;-7.24,-19.83,;-7.24,-18.29,;-5.91,-22.13,;-4.67,-23.03,;-5.14,-24.5,;-6.68,-24.5,;-7.16,-23.03,;-7.45,-25.83,;-8.99,-25.83,;-9.76,-24.49,;-11.3,-24.49,;-6.68,-27.16,;-7.45,-28.5,;-5.14,-27.16,;-4.37,-28.5,;-2.83,-28.5,;-2.06,-27.16,;-4.37,-25.83,;-2.83,-25.82,)|
BDBM50199272 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C
BDBM50152082 CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50152086 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50152087 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
BDBM50152089 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50152090 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
BDBM50152091 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
BDBM50009520 CN(CCc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009521 Nc1nc(NCC(c2ccccc2)c2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50237086 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237087 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1
BDBM50237088 CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237089 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(F)cc2)cc(n1)-c1nccs1
BDBM50237090 O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1
BDBM50237091 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1
BDBM50237092 COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237093 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237094 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237095 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50059398 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC[Si](C)(C)C)=C(N=C1C)c1ccccc1 |c:25,27|
BDBM50059400 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 |t:5,7|
BDBM50059401 CCOC(O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1-c1ccccn1
BDBM50059402 CCOC(=O)C1C(c2cc3ccccc3o2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
BDBM50059407 CCNC(=O)C1=C(N(COCC)C(C)=C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |c:13,t:5|
BDBM50059409 CCNC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50059410 CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
BDBM50061927 Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061928 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1cccs1
BDBM50061929 CC(C)Cn1c2nc(-c3ccccc3)n(CC#C)c2c(=O)n(C)c1=O
BDBM50061930 CC(C)Cn1c2nc(-c3ccccc3)n(C)c2c(=O)n(C)c1=O
BDBM50061931 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50047153 Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047154 CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50009704 Cn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50039956 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccoc1
BDBM50039959 COc1ccc(cc1)-c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
BDBM50039960 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1
BDBM50011599 C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
BDBM50011600 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50171366 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2[N+]([O-])=O)s1
BDBM50199987 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 |r|
BDBM50199970 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1 |r|
BDBM50199971 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 |r|
BDBM50009536 Nc1nc(NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009537 Nc1nc(NCCN2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009538 Nc1nc(NCCC2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009545 Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50199973 CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50199974 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199975 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1 |r|
BDBM50199976 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1 |r|
BDBM50199977 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1 |r|
BDBM50199978 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1 |r|
BDBM50199979 CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199980 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1 |r|
BDBM50199981 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12 |r|
BDBM50199982 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1 |r|
BDBM50199983 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50199984 COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 |r|
BDBM50199985 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r|
BDBM50199986 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1 |r|
BDBM50171749 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1
BDBM50015800 CCN(CC)c1nc2ccccc2n2c(CC)nnc12
BDBM50015811 CCc1nnc2c(NC(C)=O)nc3ccc(Cl)cc3n12
BDBM50015812 CCN(CC)c1nc2ccc(Cl)cc2n2c(C)nnc12
BDBM50015813 Nc1nc2ccc(Cl)cc2n2cnnc12
BDBM50015814 O=C1CCCN1c1nc2ccccc2n2cnnc12
BDBM50009539 Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009543 Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009546 COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50034396 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1ccccc1
BDBM50034397 Cc1nn(-c2cccc(N)c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
BDBM50034398 Cc1nn(-c2ccccc2)c2nc3ccccc3c(O)c12
BDBM50034399 Cc1nn(-c2ccccc2)c2oc3cc(O)ccc3c(=O)c12
BDBM50025883 Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50025678 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
BDBM50025679 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)OC)cc2)cc1
BDBM50025680 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
BDBM50025681 CCNC(=O)COc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1
BDBM50025682 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)CC)cc1
BDBM50025683 CCC(=O)OCOc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1
BDBM50025684 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCOC(=O)C(C)C)cc1
BDBM50025685 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
BDBM50025686 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
BDBM50025687 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
BDBM50025688 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50025689 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50025690 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
BDBM50224773 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224775 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50224778 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50059405 CCOC(=O)C1C(C#Cc2ccccc2)C(C(O)=O)=C(N=C1C)c1ccccc1 |c:19,21|
BDBM50224763 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224764 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224769 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224770 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50009705 CCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50009706 CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50090708 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
BDBM50090709 Oc1cc(nc2nc(F)ccc12)-c1ccccc1
BDBM50008245 CCCCCCC#Cc1nc(N)c2[nH]cnc2n1
BDBM50004710 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19|
BDBM50004711 CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50034896 CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50034908 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
BDBM50047181 CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047191 COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50047192 COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
BDBM50047193 CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50047194 Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
BDBM50047195 CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50060835 OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50060839 Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O
BDBM50060845 Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50069319 CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
BDBM50069320 CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
BDBM50060840 COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50171351 COc1cc(cc(OC)c1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171352 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3OCOc3c2)s1
BDBM50171353 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)-c2cccs2)s1
BDBM50171354 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cc3ccccc3o2)s1
BDBM50171375 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cccs2)s1
BDBM50171376 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3ccccc3c2)s1
BDBM50171377 COc1ccc(c(OC)c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171378 Cc1ccc(C)c(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171379 COc1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171367 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(F)cc2)s1
BDBM50171368 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2)s1
BDBM50171369 C[N+](C)(C)c1nc-2c(Cc3cc(ccc-23)-c2ccc(Oc3ccccc3)cc2)s1
BDBM50171370 Cc1ccc(cc1C)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171371 CN(C)c1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171372 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(cc2)C(F)(F)F)s1
BDBM50171373 Cc1cccc(c1)-c1ccc-2c(Cc3sc(nc-23)[N+](C)(C)C)c1
BDBM50171374 Cc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50018418 Cn1c2nc([nH]c2c(=S)n(C)c1=O)C1CCCC1
BDBM50018419 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
BDBM50018420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
BDBM50018421 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccco1
BDBM50018423 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc2cccs2)cc1
BDBM50018424 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1cccs1
BDBM50018425 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC)cc1
BDBM50018426 CCCn1c2nc([nH]c2c(=S)n(CCC)c1=O)C1CCCC1
BDBM50018427 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccccc1
BDBM50171385 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2Cl)s1
BDBM50171386 COc1cc2ccccc2cc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50157668 CCCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157669 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50157670 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50157671 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50118811 CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
BDBM50084864 COc1cccc(\C=C\c2nc3n(CCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50084865 Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
BDBM50084866 COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50084867 COc1cccc(\C=C\c2nc3n(CCCOP([O-])([O-])=O)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50023486 CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
BDBM50079447 CCOC(=O)C1[C@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50079448 CCOC(=O)C1=C(N=C(C)C([C@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
BDBM50199268 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O
BDBM50199269 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2
BDBM50048448 CCOC(=O)c1sc(SC)c2c1CCCC2=O
BDBM50048449 CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O
BDBM50048450 Nc1nc2ccccc2n2cc(nc12)-c1ccccc1
BDBM50048451 CCOC(=O)c1sc(SCC=C)c2c1CCCC2=O
BDBM50048452 CCOC(=O)c1sc(NN)c2c1CCCC2=O
BDBM50048453 OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50042193 CCCn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM50042194 CCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCCC1
BDBM50042196 CCCn1c(=O)[nH]c2ncn(C)c2c1=O
BDBM50042197 C=CCn1cnc2n(CC=C)c(=O)[nH]c(=O)c12
BDBM50042198 O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
BDBM50042199 CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM50042200 O=c1[nH]c2nc([nH]c2c(=O)n1CCc1ccccc1)-c1ccccc1
BDBM50208806 Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50017982 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCN2C(=O)C=CC2=O)cc1 |c:39|
BDBM50017983 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC=O)cc1
BDBM50017985 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(Br)cc2)cc1
BDBM50017986 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(C)cc2)cc1
BDBM50017987 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(OC)cc2)cc1
BDBM50017990 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=S)Nc3ccc(cc3)N=C=S)cc2)cc1
BDBM50017991 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50017992 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
BDBM50009529 Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009530 Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50152080 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50009527 [H][C@]1(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)CC2CCC1C2 |TLB:2:1:29:27.26|
BDBM50009528 Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50237083 CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237084 CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237085 CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50021484 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
BDBM50212797 CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212798 COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50165056 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1
BDBM50165062 COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50212799 Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50212800 CCCn1c2nc3N(Cc4ccc(C)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212801 CCCn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212802 COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50212803 Cn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50212804 Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50212805 CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212806 CCCn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212807 CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212808 COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
BDBM50212809 Cc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50090696 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1
BDBM50090698 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1
BDBM50090699 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1
BDBM50090700 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50090701 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
BDBM50090702 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1
BDBM50090703 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1
BDBM50090704 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
BDBM50090705 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090706 COc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090707 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-]
BDBM50090683 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090684 COc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090697 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
BDBM50009707 CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50009708 CCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50156650 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
BDBM50156651 Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(nn12)-c1ccco1 |r|
BDBM50194153 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
BDBM50021455 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
BDBM50021456 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1
BDBM50021457 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O
BDBM50021454 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O
BDBM50023353 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
BDBM50035800 COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
BDBM50156652 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cncn3)CC[C@H]2C1 |r|
BDBM50171362 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(O)c2)s1
BDBM50171363 COc1ccc(cc1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50171364 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc3ccccc23)s1
BDBM50171365 COc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50041894 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27|
BDBM50041901 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N
BDBM50023487 CCc1nnc2c(NC3CC4CCC3C4)nc3ccccc3n12 |TLB:7:8:14:12.11|
BDBM50059385 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)C(F)(F)F |c:21,23|
BDBM50059395 CCO\C([O-])=C1\C(C#Cc2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50059396 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1cccnc1 |c:12,14|
BDBM50059397 CCNC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |t:5,7|
BDBM50059414 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
BDBM50059415 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(C)=O)c1ccccc1 |t:5,7|
BDBM50212810 Cn1c2nc3N(Cc4ccco4)CCCn3c2c(=O)n(C)c1=O
BDBM50006697 CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O
BDBM50006702 CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006703 CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50026670 CCCC1C(=O)N2C(Sc3ccccc23)N(CC(C)C)C1=O
BDBM50047178 Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047179 CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047180 Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50146794 CCCc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:13|
BDBM50015648 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
BDBM50015649 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
BDBM50015650 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
BDBM50015651 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
BDBM50015652 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
BDBM50015654 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
BDBM50015655 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
BDBM50009519 CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50025709 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
BDBM50025710 CCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50025711 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
BDBM50025712 COc1cc(OC)cc(c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50025713 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(C)cc1
BDBM50025714 Cc1nn(C)c2c1nc([nH]c2=O)-c1cccc(N)c1
BDBM50025715 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
BDBM50025716 CCn1nc(C)c2nc(Cc3ccccc3)[nH]c(=O)c12
BDBM35840 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1
BDBM50015658 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
BDBM35841 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1
BDBM50042205 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50004572 CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50004575 FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50017993 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CBr)cc1
BDBM50017995 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc1
BDBM50017996 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=O)CCCN2C(=O)C=CC2=O)cc1 |c:43|
BDBM50088428 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50041587 Cn1c2[nH]ccc2c(=O)n(C)c1=O
BDBM50041588 CCCn1c2cc[nH]c2c(=O)n(CCC)c1=O
BDBM50041589 Cn1c(=O)[nH]c2cc[nH]c2c1=O
BDBM50041590 CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50041591 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50041592 Cn1c(cc2c1n(C)c(=O)n(C)c2=O)-c1ccccc1
BDBM50041593 CCCn1c2cc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50041594 Cn1c2cc(-c3cccc4ccccc34)n(O)c2c(=O)n(C)c1=O
BDBM50041595 Cn1c2[nH]c(cc2c(=O)n(C)c1=O)-c1ccccc1
BDBM50041596 Cn1c2cc[nH]c2c(=O)n(C)c1=O
BDBM50041597 Cn1ccc2n(C)c(=O)n(C)c(=O)c12
BDBM50041598 Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50041599 Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50047185 Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047186 Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047187 Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047189 COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
BDBM50047190 Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50018156 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50018157 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50146784 CCCc1c(O)c2[nH]c(CCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:13|
BDBM50146785 Cc1c(O)c2[nH]c(CCN3N=CCCC3=O)nc2n(C)c1=O |c:10|
BDBM50146786 CCCc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:11|
BDBM50146787 Cc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:10|
BDBM50146788 CCCc1c(O)c2[nH]c(CCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:12|
BDBM50146789 CCCc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:12|
BDBM50146790 Cc1c(O)c2[nH]c(CN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:9|
BDBM50146791 Cc1c(O)c2[nH]c(CCCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:12|
BDBM50146792 Cc1c(O)c2[nH]c(CCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:11|
BDBM50015657 Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50018158 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCC1
BDBM50018159 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
BDBM50004713 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004714 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004715 CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
BDBM50004716 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19|
BDBM50047197 CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047199 CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
BDBM50047182 COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50047183 CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50047184 CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50047201 Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047202 COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
BDBM50047203 CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
BDBM50047204 CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047205 COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
BDBM50026654 CCC1C(=O)N2C=CSC2N(CC)C1=O |c:6|
BDBM50026655 CCCCCN1C2SC=NN2C(=O)C(C)C1=O |c:8|
BDBM50026656 CCC1C(=O)N2C=CSC2N(Cc2ccccc2)C1=O |c:6|
BDBM50026657 CCC1C(=O)N2C(Sc3ccccc23)N(CC2CC2)C1=O
BDBM50026658 CCOc1ccc2N3C(Sc2c1)N(CC1CC1)C(=O)C(CC)C3=O
BDBM50026659 CCC1C(=O)N2N=C(SC2N(CC)C1=O)c1ccccc1 |c:6|
BDBM50026660 CCCC1C(=O)N2C=CSC2N(CCC)C1=O |c:7|
BDBM50009709 CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50009710 CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50074220 CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
BDBM50074221 CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074222 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
BDBM50097442 Clc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097443 Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097444 Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097445 O=C(Nc1nc(cs1)-c1ccccn1)C1CCCC1
BDBM50097446 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
BDBM50179302 Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179303 Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM50179304 Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM50179305 O=c1n2CCSc2nc2nn[nH]c12
BDBM50179306 CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM50179307 Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
BDBM50052384 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
BDBM50052386 [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
BDBM50205582 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12
BDBM50052379 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:5,t:8|
BDBM50052380 CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
BDBM50052382 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8|
BDBM50052383 CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8|
BDBM50015816 CC(C)Nc1nc2cc(Cl)c(Cl)cc2n2cnnc12
BDBM50186593 Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50186594 c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186595 Cc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50186596 c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50242664 COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50186597 Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50205581 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12
BDBM50051360 OC1C(=O)C(Oc2ccccc12)c1ccccc1O
BDBM50053940 CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053941 CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053942 CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50053943 CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053944 CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50021088 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
BDBM50114258 COc1cc-2c(Cc3sc([NH3+])nc-23)c(OC)c1OC
BDBM50041582 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1cccc2ccccc12
BDBM50021081 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
BDBM50021082 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
BDBM50021083 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
BDBM50021084 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50021085 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
BDBM50018160 CCCn1c2nc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50018161 COC(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50018163 CCCn1c2nc(-c3ccc(cc3)C(O)=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50018164 CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50018165 CCCn1c2nc(-c3ccc(cc3)S(O)(=O)=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50018166 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(O)=O
BDBM50018167 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
BDBM50018168 CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50114259 Cc1ccc2Cc3sc([NH3+])nc3-c2c1
BDBM50114260 [NH3+]c1nc-2c(CCc3ccccc-23)s1
BDBM50114261 COc1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50114262 [NH3+]c1nc-2c(Cc3ccccc-23)s1
BDBM50028190 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM50041583 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1ccc2ccccc2c1
BDBM50041584 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50041585 Cn1c2cc(\C=C\c3ccccc3)[nH]c2c(=O)n(C)c1=O
BDBM50041586 Cn1c2cc(\C=C\c3ccccc3)n(O)c2c(=O)n(C)c1=O
BDBM50014528 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50014530 Cn1c2nc(Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
BDBM50061944 Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
BDBM50048454 CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50048456 CCSc1sc(C(=O)OC)c2CCCC(=O)c12
BDBM50086176 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
BDBM50086177 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
BDBM50086178 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1
BDBM50086179 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |t:32|
BDBM50074225 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074226 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCF)nc1-c1ccccc1
BDBM50074227 CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
BDBM50124120 CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
BDBM50124121 OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50124119 CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50094604 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccn1
BDBM50026661 CCC1C(=O)N2C=CSC2N(Cc2cc(OC)cc(OC)c2)C1=O |c:6|
BDBM50026662 CCN1C2SC=NN2C(=O)C(C)C1=O |c:5|
BDBM50026663 CCN1C2SC=NN2C(=O)C(Cc2ccc(Cl)cc2)C1=O |c:5|
BDBM50026664 CCC1C(=O)N(CC)C2N(C=Cc3ccccc23)C1=O |c:10|
BDBM50026665 O=C1C(Cc2ccccc2)C(=O)N(CC2CC2)C2SC=CN12 |c:21|
BDBM50026666 CCC1C(=O)N2C(Sc3ccccc23)N(CC(C)C)C1=O
BDBM50026667 CCC1C(=O)SC2N(C)C=CN2C1=O |c:9|
BDBM50026668 CCN1C2SC=NN2C(=O)C(Cc2ccccc2)C1=O |c:5|
BDBM50026669 CCN1C2SC=NN2C(=O)CC1=O |c:5|
BDBM50094598 CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1
BDBM50094599 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1
BDBM50094601 CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
BDBM50094603 C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccn1
BDBM50011850 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccnc1
BDBM50043210 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1
BDBM50043211 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CC)Cc1ccccc1
BDBM50043212 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(C)c1ccccc1
BDBM50043213 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCc2ccccc2C1
BDBM50043214 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](C)c1ccccc1
BDBM50043215 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1
BDBM50043216 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](CC)c1ccccc1
BDBM50043217 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CO)Cc1ccccc1
BDBM50039949 O=c1[nH]c2ccccc2n2nc(nc12)-c1cccs1
BDBM50039951 COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50039954 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1
BDBM50190699 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50190700 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
BDBM50190701 CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50190702 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50190703 CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
BDBM50096363 C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50096364 CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50096365 C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50214409 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O |c:37|
BDBM50047211 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
BDBM50047212 COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50047158 COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
BDBM50047159 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
BDBM50047160 CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047161 Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047162 CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047163 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
BDBM50047164 Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047165 COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
BDBM50047166 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
BDBM50047167 COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
BDBM50047168 CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047170 COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
BDBM50047171 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50023490 CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023491 Cn1c2ccccc2c2nc(nn2c1=N)-c1ccco1
BDBM50023492 Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1
BDBM50023493 CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023494 Nc1nc2ccc(OCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50023495 OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023496 Nc1nc2ccccc2c2nc(nn12)-c1ccco1
BDBM50023497 Nc1nc2ccc(Cl)cc2c2nc(nn12)C1CCCO1
BDBM50023498 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
BDBM50021087 Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
BDBM50021079 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
BDBM50021080 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
BDBM50023392 CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50011827 CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(C)c1=O
BDBM50011828 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
BDBM50011829 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
BDBM50025717 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(N)cc1
BDBM50025718 Cc1nn(C)c2c1nc([nH]c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50025719 CCn1nc(C)c2nc([nH]c(=O)c12)-c1ccccc1
BDBM50025720 Cc1nn(C)c2c1nc[nH]c2=O
BDBM50025721 Cc1nn(C)c2c1nc(Cc1ccccc1)[nH]c2=O
BDBM50025722 Cc1nn(C)c2c1nc([nH]c2=O)-c1cccnc1
BDBM50025723 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1[N+]([O-])=O
BDBM50053922 CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50011823 CCCn1c(=O)n(C)c2nc(C=Cc3ccccc3)[nH]c2c1=O |w:12.12|
BDBM50053930 CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50011825 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
BDBM50011824 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM50086181 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
BDBM50086182 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
BDBM50086183 CC(=O)c1ccccc1NC(=O)C=Cc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1 |w:12.12|
BDBM50086184 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50086185 OC(=O)C=Cc1ccc(cc1)-c1nc2n(CC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)c2[nH]1 |w:3.2|
BDBM50086186 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1
BDBM50086187 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1
BDBM50086188 OC(=O)C=Cc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1 |w:3.2|
BDBM50086189 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
BDBM50086190 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc1
BDBM50215116 CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50268084 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1
BDBM50086159 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50205590 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12
BDBM50205591 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12
BDBM50205592 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)ncnc12
BDBM50221679 Cn1c2nc3N(CCOC(=O)Nc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221680 CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221681 Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221682 Cn1c2nc3N(CCCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50015817 CC(C)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50015818 CCc1nnc2c(nc3ccccc3n12)N(C(C)=O)C(C)=O
BDBM50015819 Cc1nnc2c(nc3ccccc3n12)N1CCCC1
BDBM50015801 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)C(F)(F)F
BDBM50015802 CC(C)(C)Nc1nc2ccccc2n2cnnc12
BDBM50015803 FC(F)(F)c1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
BDBM50015804 COc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
BDBM50015805 CCN(CC)c1nc2ccccc2n2c(C)nnc12
BDBM50015806 CC(C)Nc1nc2ccc(Cl)cc2n2c(C)nnc12
BDBM50015770 Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F
BDBM50020845 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1O
BDBM50020846 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(O)c1
BDBM50020847 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N
BDBM50114257 [NH3+]c1nc-2c(Cc3c-2cccc3OC(=O)C2CCCC2)s1
BDBM50094595 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1
BDBM50115630 CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
BDBM50074213 CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
BDBM50074214 CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
BDBM50074215 CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
BDBM50074216 CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
BDBM50074217 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
BDBM50074232 CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
BDBM50074233 CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074234 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCO)nc1-c1ccccc1
BDBM50079652 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50037438 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1
BDBM50037439 Cn1c(\C=C\c2cccc(NC(=O)CCCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037440 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
BDBM50037441 Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=S
BDBM50037442 CCCCn1c2nc(\C=C\C(O)=O)n(C)c2c(=O)n(CCCC)c1=O
BDBM50112184 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112185 CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112186 OC[C@H]1O[C@H](C[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112187 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112188 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(F)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112189 C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112190 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc2OCOc2c1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112191 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1CCCC[C@H]1C(=O)c1cccs1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112192 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50190704 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
BDBM50190705 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50017978 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(N)cc2)cc1
BDBM50017979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC[N-]C(=[SH+])Nc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50017980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
BDBM50017981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
BDBM50015758 Nc1nc2cc(F)ccc2n2cnnc12
BDBM50023479 CCc1nnc2c(NC3CCC3)nc3ccccc3n12
BDBM50023480 Cc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50023481 CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
BDBM50023482 CCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50023483 CCCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50152092 COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50165066 Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1
BDBM50165069 Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
BDBM50090685 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
BDBM50090686 Cc1ccc2ccc(nc2n1)-c1ccccc1
BDBM50090688 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50090689 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1
BDBM50090690 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
BDBM50090691 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090692 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1
BDBM50090693 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090695 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1
BDBM50109434 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109435 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50026649 CCC1C(=O)N2N=C(C)SC2N(CC)C1=O |t:6|
BDBM50026650 CCC1C(=O)N2C=CSC2N(CC2CC2)C1=O |c:6|
BDBM50026651 CCC1C(=O)N2N=CSC2N(CC)C1=O |c:6|
BDBM50026652 CCC1C(=O)N2C(SC=C2c2ccccc2)N(CC2CC2)C1=O |c:8|
BDBM50026653 CCCC1C(=O)N2N=CN(C)C2N(C)C1=O |c:7|
BDBM50086173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
BDBM50086174 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
BDBM50086175 OC(=O)COc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1
BDBM50149356 Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149357 COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O
BDBM50149358 Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
BDBM50149360 CC(=O)Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149361 COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O
BDBM50151171 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1
BDBM50151172 Cc1ncc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)[nH]1
BDBM50151173 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2csnn2)CC1
BDBM50151174 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1
BDBM50074210 CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074211 CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
BDBM50014249 CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O
BDBM50014250 CCCN1c2ncn(Cc3ccccc3)c2C(=O)NCC1=O
BDBM50014251 Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
BDBM50014252 CCN1CC(=O)N(CC)c2ncn(C)c2C1=O
BDBM50014253 CCN1CC(=O)N(CC)c2nc[nH]c2C1=O
BDBM50014254 CC(C)CN1c2ncn(Cc3ccccc3)c2C(=O)N(C)CC1=O
BDBM50025566 CCCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM50025567 CC(=O)OCCn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM50025568 Cn1cnc2n(C)c(=O)n(CC=C)c(=O)c12
BDBM50025569 CC(C)Cn1c2ncn(CC=C)c2c(=O)n(C)c1=O
BDBM50025570 CCCn1cnc2n(CC(C)C)c(=O)n(C)c(=O)c12
BDBM50025571 CCCn1c2ncn(CC=C)c2c(=O)n(CCC)c1=O
BDBM50025572 Cn1c2nc[nH]c2c(=O)n(CCO)c1=O
BDBM50025573 O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1Cc1ccccc1
BDBM50025574 Cn1cnc2n(CC=C)c(=O)n(CC=C)c(=O)c12
BDBM50025575 CC(C)Cn1c2ncn(C)c2c(=O)n(C)c1=O
BDBM50025576 Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
BDBM50025577 CC(C)Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
BDBM50025578 CCCn1c2ncn(CC#C)c2c(=O)n(CCC)c1=O
BDBM50015781 CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
BDBM50015782 CC(C)Nc1nc2cc(F)ccc2n2cnnc12
BDBM50015783 CCNc1nc2ccc(F)cc2n2cnnc12
BDBM50015751 CCc1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
BDBM50015752 CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12
BDBM50015753 C1CCN(CC1)c1nc2ccccc2n2cnnc12
BDBM50015754 CC(C)Nc1nc2ccc(F)cc2n2cnnc12
BDBM50015755 CCc1nnc2c(nc3ccccc3n12)N1CCCCC1
BDBM50015756 Cc1nnc2c(N)nc3ccc(Cl)cc3n12
BDBM50015757 C1CN(CCN1)c1nc2ccccc2n2cnnc12
BDBM50156625 COC(=O)c1nc(Cl)c(nc1N)N1CCN2C[C@H](CNc3nc(N)n4nc(nc4n3)-c3ccco3)CC[C@@H]2C1 |r|
BDBM50156626 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
BDBM50156627 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccn3)CC[C@H]2C1 |r|
BDBM50156628 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r|
BDBM50156629 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
BDBM50156630 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4[nH]ccc4c3)CCC[C@H]2C1 |r|
BDBM50156631 Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r|
BDBM50156632 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156633 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
BDBM50156634 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156635 NC[C@@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156636 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156637 Nc1nc(NC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
BDBM50015509 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1N
BDBM50054671 CCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
BDBM50054672 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23|
BDBM50054688 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(Cl)cc1 |c:21,23|
BDBM50086163 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32|
BDBM50086164 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
BDBM50254854 CCCn1c(=O)n(Cc2ccncc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254898 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1
BDBM50224350 Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224351 COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O
BDBM50224352 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
BDBM50138539 O[C@@H]1[C@@H](COC(=O)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138540 CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138541 CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
BDBM50018151 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018152 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018153 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)C(O)=O
BDBM50254855 CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254856 CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50151175 Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50151176 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCCc2ccccc2)CC1
BDBM50151177 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccnc2)CC1
BDBM50199297 CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
BDBM50199298 CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50199299 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
BDBM50151178 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccncc2)CC1
BDBM50229885 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
BDBM50229886 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
BDBM50001497 CCCn1c2ncn(C)c2c(=O)n(C)c1=O
BDBM50001498 CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50001500 CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
BDBM50001509 CCCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50019458 CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50019461 Cc1nn(C)c(N)c1C(=O)c1ccccc1F
BDBM50205583 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12
BDBM50205588 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12
BDBM50205589 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12
BDBM50176743 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
BDBM50176744 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1
BDBM50176745 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
BDBM50176746 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
BDBM50176747 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
BDBM50176748 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50176749 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
BDBM50176750 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2C(F)(F)F)c1
BDBM50176751 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
BDBM50176752 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
BDBM50176753 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2OC)c1
BDBM50039697 CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1
BDBM50039698 CCCn1c2nc(NCCCl)[nH]c2c(=O)n(CCC)c1=O
BDBM50039699 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1Cl
BDBM50039700 CCCn1c2nc(CNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
BDBM50091144 Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50176754 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
BDBM50176755 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50176756 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50159984 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1
BDBM50034878 CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50079649 OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
BDBM50079650 OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
BDBM50051348 [#6]-[#8]-c1cc2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c2c(-[#8])c1-[#6]=[#6]-[#6](-[#6])-[#6])-c1ccc(-[#8])cc1-[#8] |w:19.20|
BDBM50051350 Oc1ccc(cc1)C1CC(=O)c2ccccc2O1
BDBM50051351 COc1ccc2oc(C#Cc3ccccc3)c(O)c(=O)c2c1
BDBM50051354 Clc1c(oc2ccccc2c1=O)-c1ccccc1
BDBM50051357 CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(OCC)c2c(=O)c1OCC
BDBM50051358 O=C1CC(Oc2ccccc12)c1ccccc1
BDBM50051338 CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM18137 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM50205593 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12
BDBM50205594 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3)ncnc12
BDBM50156616 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
BDBM50156617 Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156618 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50156619 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156620 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50156621 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50156622 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50156623 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccco3)Cc3ccco3)CC[C@H]2C1 |r|
BDBM50015780 CCN(CC)c1nc2ccccc2n2cnnc12
BDBM50023484 CCc1nnc2c(NCC(C)O)nc3ccccc3n12
BDBM50023485 C1CCC(C1)Nc1nc2ccccc2n2cnnc12
BDBM50014007 CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
BDBM50000298 Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50015746 CCc1nnc2c(N)nc3cc(F)ccc3n12
BDBM50015748 Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50015749 CCc1nnc2c(NC(C)C)nc3ccccc3n12
BDBM50015750 CCc1nnc2c(NC(C)C)nc3cc(F)ccc3n12
BDBM50018171 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
BDBM50018172 CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
BDBM50022724 CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
BDBM50022725 C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
BDBM50022726 Cc1nn(C)c2c(C)c3n(C)nc(C)c3cc12
BDBM50022727 Cc1nn(C)c2cc3n(C)nc(C)c3cc12
BDBM50022728 CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c12
BDBM50022729 CCn1nc(C)c2cc3c(C)nn(CC)c3cc12
BDBM50022731 CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
BDBM50022732 Cc1n[nH]c2c([N+]([O-])=O)c3n[nH]c(C)c3cc12
BDBM50022733 Cc1n[nH]c2cc3n[nH]c(C)c3cc12
BDBM50022734 Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
BDBM50014293 COc1cccc(c1OC)-n1c(C)c(C)c2c(N)ncnc12 |(8.74,-18.23,;9.21,-16.76,;8.16,-15.62,;6.65,-15.96,;5.61,-14.82,;6.07,-13.36,;7.58,-13.04,;8.63,-14.16,;10.12,-13.83,;11.18,-14.96,;8.06,-11.56,;7.15,-10.33,;5.61,-10.33,;8.05,-9.09,;7.58,-7.61,;9.51,-9.54,;10.85,-8.77,;10.84,-7.23,;12.19,-9.54,;12.19,-11.08,;10.85,-11.85,;9.53,-11.08,)|
BDBM50014294 CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
BDBM50014295 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50004566 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50009682 N(c1ccccc1)c1ncnc2n(cnc12)-c1ccccc1
BDBM50009683 Cn1cnc2c(NC3CCCCC3)ncnc12
BDBM50009684 CCn1cnc2c(NC3CCCC3)ncnc12
BDBM50009685 Cn1cnc2c(N)ncnc12
BDBM50009686 Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50009687 Nc1ncnc2n(cnc12)C1CCCO1
BDBM50009688 CC[C@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
BDBM50009689 Nc1ncnc2n(cnc12)-c1ccccc1
BDBM50009690 CCn1cnc2c(NC3CCCCC3)ncnc12
BDBM50009691 OCCn1cnc2c(NC3CCCC3)ncnc12
BDBM50009693 C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCO1
BDBM50004568 CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007849 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
BDBM50014280 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50014281 Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
BDBM50014282 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
BDBM50014283 Cc1[nH]c2nc(C)nc(N)c2c1C
BDBM50014284 Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
BDBM50014285 Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014286 O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
BDBM50014287 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
BDBM50014288 CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
BDBM50014289 Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
BDBM50014290 CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
BDBM50004461 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
BDBM50004464 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
BDBM50205711 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(OC)cc1
BDBM50205712 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50205707 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O
BDBM50205708 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50205709 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
BDBM50205710 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
BDBM50205713 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
BDBM50205714 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
BDBM50205715 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
BDBM50205716 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
BDBM50205717 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
BDBM50205718 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
BDBM50205719 CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50205720 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
BDBM50205721 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccncc1
BDBM50205722 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
BDBM50205723 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccc(c1)C(F)(F)F
BDBM50205724 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C[Si](C)(C)C
BDBM50205580 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12
BDBM50205725 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccnc1
BDBM50097450 Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097451 Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097452 OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097448 Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50205726 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(CC#N)cc1
BDBM50205727 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1
BDBM50205728 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(N)=O
BDBM50205729 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
BDBM50205730 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC#N
BDBM50048457 CCOC(=O)c1sc(SC)c2C(O)CCCc12
BDBM50048458 CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1
BDBM50018905 CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
BDBM50224759 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224760 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50039701 CCCn1c(=O)n(CCCOC(=O)c2cccc(c2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50039702 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N(CCCl)CCCl
BDBM50015759 CCN(CC)c1nc2ccc(Cl)cc2n2c(CC)nnc12
BDBM50015760 CC(=O)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015761 CCNc1nc2ccccc2n2cnnc12
BDBM50015763 CCN(CC)c1nc2ccc(F)cc2n2cnnc12
BDBM50015764 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
BDBM50015765 CCc1nnc2c(N)nc3ccc(Cl)cc3n12
BDBM50015766 CCNc1nc2ccc(OC)cc2n2c(CC)nnc12
BDBM50015771 CCc1nnc2c(N)nc3ccccc3n12
BDBM50015772 CCNc1nc2cc(F)ccc2n2cnnc12
BDBM50015773 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015774 CCN(CC)c1nc2ccccc2n2c(nnc12)C(C)C
BDBM50003588 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
BDBM50015775 CCc1nnc2c(NC(C)C)nc3c(Cl)cccc3n12
BDBM50015776 Nc1nc2cc(Cl)ccc2n2cnnc12
BDBM50015777 CCN(CC)c1nc2cc(Cl)c(Cl)cc2n2c(CC)nnc12
BDBM50011834 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
BDBM50011835 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50011836 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
BDBM50011837 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
BDBM50011838 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
BDBM50011839 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50011840 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50011841 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
BDBM50011842 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
BDBM50011843 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
BDBM50011844 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
BDBM50011845 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
BDBM50011846 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
BDBM50011847 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccncc1
BDBM50011848 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
BDBM50011849 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
BDBM50021460 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1
BDBM50020992 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCSCC1
BDBM50015784 CCc1nnc2c(N)nc3cc(OC)ccc3n12
BDBM50015785 CCc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
BDBM50015786 Nc1nc2ccccc2n2cnnc12
BDBM50015787 CCc1nnc2c(Nc3ccccc3)nc3ccc(Cl)cc3n12
BDBM50015788 COc1ccc2c(c1)nc(N)c1nncn21
BDBM50015789 CCNc1nc2ccccc2n2c(nnc12)C(C)C
BDBM50015790 Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
BDBM50015791 CN(C)c1nc2ccccc2n2cnnc12
BDBM50015792 CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3ccc(Cl)cc3n12
BDBM50015793 CCc1nnc2c(NCCO)nc3ccccc3n12
BDBM50015794 CCc1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
BDBM50015795 CN1CCN(CC1)c1nc2ccccc2n2cnnc12
BDBM50015796 CCN(CC)c1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015797 CC(C)Nc1nc2ccccc2n2c(nnc12)C(F)(F)F
BDBM50015798 Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015799 CCN(CC)c1nc2cc(F)c(F)cc2n2cnnc12
BDBM50021450 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50021451 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F
BDBM50021452 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
BDBM50021453 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O
BDBM50021458 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C
BDBM50021459 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC
BDBM50018170 CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50021004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
BDBM50021005 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)c(Cl)c1
BDBM50021006 Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50061932 Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
BDBM50015807 CCc1nnc2c(nc3ccccc3n12)N1CCOCC1
BDBM50138533 CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138534 CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138535 O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138536 CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
BDBM50138537 CCCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50025701 CCn1nc(C)c2nc([nH]c(=O)c12)-c1ccncc1
BDBM50025702 COc1ccc(cc1OC)-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50025703 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
BDBM50025704 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
BDBM50025705 COc1cccc(c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50025706 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)c(Cl)c1
BDBM50152071 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
BDBM50237074 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1
BDBM50237075 COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C
BDBM50237076 CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237077 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1
BDBM50237078 CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237079 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1
BDBM50237080 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1
BDBM50237081 Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1
BDBM50138538 O[C@@H]1[C@@H](COC(=O)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50152235 Nc1nc(NCCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152236 Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152237 Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50152239 Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50152240 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50152241 Nc1nc(NCCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152242 CN(CCN1CCN(CC1)c1c(F)cc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50152243 CN(CCN1CCN(CC1)c1ccccc1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50020959 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(O)(=O)=O
BDBM50268180 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50141005 Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50141006 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccccc2)cc1
BDBM50141007 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)C(F)(F)F)nn1C
BDBM50268209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
BDBM50268210 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50268211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50268245 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50268246 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50088470 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccncc1
BDBM50088471 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50088475 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50088478 Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50156595 Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156596 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156597 NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc2nc(nn2c(N)n1)-c1ccco1 |r|
BDBM50156598 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50156599 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccccc3)CCC[C@H]2C1 |r|
BDBM50138527 CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138528 O[C@@H]1[C@@H](COC(=O)NCc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138529 O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138530 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50138531 O[C@@H]1[C@@H](COC(=O)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138532 O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50031254 Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
BDBM50176059 Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
BDBM50176060 Cn1c(nc2c(N)nccc12)-n1nccn1
BDBM50176061 CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50109463 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50109464 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109465 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109466 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50276866 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccco1
BDBM50190434 O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50190437 OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50260159 CC(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@@](C)(O)\C=C\C[C@@](C)(O)\C=C\1 |r,t:16,22|
BDBM50061943 Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50040787 [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O
BDBM50190433 O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50266439 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50266441 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO |r|
BDBM50266442 COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50067072 c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
BDBM50067073 CSc1nc(cc2ccccc12)-c1ccccn1
BDBM50067075 CC(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1
BDBM50067078 COc1nc(cc2ccccc12)-c1ccccn1
BDBM50067079 O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067081 Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
BDBM50034373 Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034374 COc1cccc(c1)-n1cnc2nc3ccccc3nc12
BDBM50034375 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1ccccc1
BDBM50034376 CCCOc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(N)c1
BDBM50034377 Cc1nn(-c2ccc(Cl)c(N)c2)c2oc3ccccc3c(=O)c12
BDBM50034378 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50034379 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(N)c1
BDBM50034380 Cc1nn(-c2cccc(N)c2)c2nc3ccccc3c(O)c12
BDBM50189819 Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50125907 CSc1n(C)nc2nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(nc3c12)-c1ccco1
BDBM50125908 CCNc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125909 Cn1nc2nc(N)n3nc(nc3c2c1Nc1ccc(O)cc1)-c1ccco1
BDBM50224344 Cc1ccc(cc1)-c1nn2c(NC(=O)c3cccc(Cl)c3)nc3ccccc3n2c1=O
BDBM50224345 Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224346 O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50189814 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
BDBM50117215 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
BDBM50117216 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
BDBM50117219 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50034381 Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034382 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
BDBM50034383 Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12
BDBM50034384 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(N)c1
BDBM50034385 Oc1cccc(c1)-n1cnc2nc3ccccc3nc12
BDBM50034386 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(c1)[N+]([O-])=O
BDBM50034387 Cc1nn(-c2ccc(Cl)c(N)c2)c2nc3ccccc3c(O)c12
BDBM50156615 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
BDBM50156624 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
BDBM50094569 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
BDBM50171783 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50163410 Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1
BDBM50105071 Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O
BDBM50196558 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196559 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196560 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1
BDBM50196561 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1
BDBM50196562 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1
BDBM50196563 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196564 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50196565 CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196566 CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196567 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50094684 Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1
BDBM50094685 [#6]\[#6](-[#6])=[#6]/[#6]-n1cc2c(n1)nc(-[#7]-[#6](=O)-[#7]-c1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094686 COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
BDBM50273957 CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O
BDBM50120221 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 |THB:25:30:36:34.33|
BDBM50120222 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50120223 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50221697 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221698 Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221699 Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50221700 CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
BDBM50221701 CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221702 Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50221703 COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221705 Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221706 Cn1c2nc3N(CCNCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221707 Cn1c2nc3N(CCOC(=O)Nc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50159716 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(cc1)[N+]1=CC=NC1 |c:32,t:30|
BDBM50252716 CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O |r|
BDBM50252717 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
BDBM50252755 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50252756 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
BDBM50252757 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50254934 CN(C)CCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254935 CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50254936 CCn1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50248526 COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50221684 CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221685 Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221686 Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221687 CC(=O)OC(CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:4.4|
BDBM50221688 Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
BDBM50159717 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCCC1
BDBM50221692 Cn1c2nc3N(CCOC(=O)Nc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221693 Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221694 CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221695 Cn1c2nc3N(CC(O)c4ccccc4)CCCn3c2c(=O)n(C)c1=O |w:7.7|
BDBM50221696 Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50240579 Cn1cnc2ncnc(N)c12
BDBM50047157 Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50241447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50135288 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
BDBM50156600 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccncc3)CC[C@H]2C1 |r|
BDBM50156601 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156602 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156603 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r|
BDBM50156604 Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
BDBM50156605 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3ccnc3)CC[C@H]2C1 |r|
BDBM50156606 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccnc3)CC[C@H]2C1 |r|
BDBM50156607 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156608 COc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
BDBM50156609 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccncc3)CC[C@H]2C1 |r|
BDBM50156613 Cc1nn(C)c(Cl)c1CN(C[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1)Cc1c(C)nn(C)c1Cl |r|
BDBM50156614 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4cccnc4c3)CCC[C@H]2C1 |r|
BDBM50271536 O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50260482 CCc1nc2sc(C)c(C)c2c2n[nH]c(=S)n12
BDBM50047208 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
BDBM50047209 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
BDBM50047210 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
BDBM50053948 CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053949 CC(C)C(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50044431 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25|
BDBM50176757 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
BDBM50176759 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
BDBM50176761 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2Cl)c1
BDBM50176762 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
BDBM50176763 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(OC)cc2)c1
BDBM50176764 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1
BDBM50176765 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(OC)c2)c1
BDBM50176766 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
BDBM50176767 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
BDBM50176768 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
BDBM50176769 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
BDBM50156665 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
BDBM50186986 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1
BDBM50156610 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
BDBM50156611 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156612 NC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50279423 CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279445 CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279446 CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50182982 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1
BDBM50182983 CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182984 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCO
BDBM50182985 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCC1
BDBM50139878 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139879 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50004718 Cn1c2n(ncc2c(=O)n(C)c1=O)-c1ccccc1
BDBM50237064 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237065 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1
BDBM50237066 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(c2)C#N)nc(n1)-c1ccc(C)o1
BDBM50237067 COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237068 COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1
BDBM50237069 Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1
BDBM50237070 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1
BDBM50237071 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1
BDBM50237072 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1
BDBM50237073 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1
BDBM50186987 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50186988 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50156666 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156653 NC[C@@H]1CC[C@H]2CN(CCN2C1)c1cc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156654 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3cccnc3)CCC[C@H]2C1 |r|
BDBM50156655 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
BDBM50156656 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156657 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3cccnc3)CC[C@H]2C1 |r|
BDBM50156658 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccncc3)CC[C@H]2C1 |r|
BDBM50156659 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cnnn3)CC[C@H]2C1 |r|
BDBM50156660 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156661 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccn3)CC[C@H]2C1 |r|
BDBM50156662 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156663 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156664 Nc1nc(nc2nc(nn12)-c1ccco1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |r|
BDBM50035398 CN1CCC[C@H]1c1cc(C)no1 |r|
BDBM50182976 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1[N+]([O-])=O
BDBM50182977 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCCO
BDBM50182978 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O
BDBM50182979 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(=O)OC
BDBM50182980 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC
BDBM50182981 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCc1ccccc1
BDBM50018431 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
BDBM50018432 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2cccs2)cc1
BDBM50018433 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
BDBM50018434 Cn1c2nc([nH]c2c(=S)n(C)c1=O)-c1ccccc1
BDBM50018435 Cn1c2nc([nH]c2c(=O)n(C)c1=S)C1CCCC1
BDBM50001515 Cn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50018428 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
BDBM50018429 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
BDBM50018430 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
BDBM50004720 COc1nc2n(ncc2c(=O)n1C)-c1ccccc1
BDBM50004721 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50083922 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
BDBM50152231 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50152232 Nc1nc(NCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50152233 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50152234 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50173177 CN(C)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173179 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(CC1)c1ccncc1
BDBM50179039 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
BDBM50179040 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
BDBM50179041 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(Cl)nc12
BDBM50161342 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
BDBM50025707 COc1ccc(c(OC)c1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50001514 CCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50004583 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
BDBM50004584 FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
BDBM50001489 CCCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001490 CCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50008368 Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1F
BDBM50047155 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
BDBM50047156 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
BDBM50205575 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12
BDBM50205576 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12
BDBM50007838 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
BDBM50007839 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
BDBM50007840 CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007841 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
BDBM50007842 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
BDBM50040362 Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1Cc1ccccc1
BDBM50018408 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN(C)C)cc1
BDBM50018409 Cn1c2nc([nH]c2c(=S)n(C)c1=S)C1CCCC1
BDBM50018410 CCCn1c2nc([nH]c2c(=S)n(CCC)c1=S)C1CCCC1
BDBM50018411 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(I)s2)cc1
BDBM50018412 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
BDBM50018413 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccoc1
BDBM50018414 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc([Hg]OC(C)=O)s2)cc1
BDBM50018415 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN)cc1
BDBM50018416 CCn1c2nc([nH]c2c(=S)n(CC)c1=O)-c1ccccc1
BDBM50018417 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
BDBM50205577 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12
BDBM50205578 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12
BDBM50031290 Nc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
BDBM50047172 Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047173 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50047174 CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047175 CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50007850 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
BDBM50007851 CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007852 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
BDBM50011597 Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50011598 N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12
BDBM50004724 CCCOc1nc2n(ncc2c(=O)n1C)-c1ccccc1
BDBM50014291 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
BDBM50014292 Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50017997 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCSSc2ccccn2)cc1
BDBM50017998 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)S([O-])(=O)=O)cc1
BDBM50017999 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
BDBM50014274 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
BDBM50014275 Cc1c(C)c2c(N)ncnc2n1CC=C
BDBM50014276 S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
BDBM50014277 Cc1[nH]c2ncnc(N)c2c1C
BDBM50014278 Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
BDBM50014279 Cc1[nH]c2nc[nH]c(=O)c2c1C
BDBM50047206 CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047207 CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50030271 CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23
BDBM50014268 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
BDBM50014269 CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
BDBM50014270 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
BDBM50014271 CCCCCCn1c(C)c(C)c2c(N)ncnc12
BDBM50186599 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186601 Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50005366 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
BDBM50007843 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
BDBM50007844 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
BDBM50007845 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
BDBM50007846 CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
BDBM50007847 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
BDBM50007848 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
BDBM50271497 CS(=O)(=O)N(c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)S(C)(=O)=O
BDBM50067096 O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067116 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50042735 CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50039676 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50039677 CCCn1c2nc(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039678 FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
BDBM50039679 CCCn1c2nc(CCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
BDBM50151183 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
BDBM50151184 Cn1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
BDBM50151185 COc1ccccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50059101 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
BDBM50273311 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50080394 C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080395 C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080396 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12
BDBM50080397 CC(COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12
BDBM50080400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
BDBM50116460 CN1c2ncn(C)c2\C2=N\CCCCCN2C1=O |t:9|
BDBM50116463 Cn1cnc2NC(=O)N3CCN=C3c12 |c:11|
BDBM50104330 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50116470 CN1c2ncn(C)c2C2=NCCN2C1=O |t:9|
BDBM50025582 Cn1c2ncn(CC=C)c2c(=O)n(C)c1=O
BDBM50039674 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr
BDBM50039691 CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50080389 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
BDBM50080390 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50025583 CCCn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM50025584 Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O
BDBM50196542 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50240851 Nc1ncnc2n(Cc3ccccc3)c(Br)nc12
BDBM50025585 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O
BDBM50138521 CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
BDBM50138522 CCCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138523 O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12
BDBM50138524 O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138525 CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138526 O[C@@H]1[C@@H](COC(=O)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50116382 CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50215115 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50004562 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
BDBM50054664 CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21|
BDBM50054665 CCOC(=O)C1C(CC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
BDBM50054666 CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21|
BDBM50054667 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23|
BDBM50225882 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50225883 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3N4)ncnc12 |w:17.23,20.20,15.15,TEB:14:15:21:18.19|
BDBM50247933 COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50247934 COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50116456 CCC1CN2C(=N1)c1c(nc(-c3ccccc3)n1C)N(C)C2=O |c:5|
BDBM50116457 CN1c2ncn(C)c2C2=NCCCN2C1=O |t:9|
BDBM50116458 Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1 |c:11|
BDBM50116468 CN1c2nc(Cl)n(C)c2C2=NCCCN2C1=O |t:10|
BDBM50116469 CCC1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
BDBM50247931 COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50247932 COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50008874 Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
BDBM50004571 Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
BDBM50102284 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50102286 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102287 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102288 Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
BDBM50186587 CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50116467 CN1c2nc(-c3ccccc3)n(C)c2C2=NCCN2C1=O |t:16|
BDBM50266412 CCCC1CCN(C1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50266413 COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50008400 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
BDBM50008386 Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50008387 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50008388 CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50008413 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1
BDBM50256892 CCCn1cnc2ncnc(N)c12
BDBM50256893 CCCn1c(Br)nc2c(N)ncnc12
BDBM50256894 CC(C)n1cnc2ncnc(N)c12
BDBM50256895 CC(C)n1c(Br)nc2c(N)ncnc12
BDBM50256896 CCC(C)n1cnc2c(N)ncnc12
BDBM50119168 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50034513 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
BDBM50165819 Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
BDBM50127510 Nc1sc(Br)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F
BDBM50257096 Nc1ncnc2n(CC(O)CO)c(Br)nc12
BDBM50257097 Nc1ncnc2n(CCc3ccccc3)cnc12
BDBM50176832 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
BDBM50262386 Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1
BDBM50265982 CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50265983 COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50265984 COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266020 O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1
BDBM50266021 O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1
BDBM50266022 O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1
BDBM50051676 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
BDBM50051677 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
BDBM50256897 CCC(C)n1cnc2ncnc(N)c12
BDBM50256898 CCC(C)n1c(Br)nc2c(N)ncnc12
BDBM50023499 CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023500 CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023501 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc[nH]1
BDBM50023502 CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023503 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1cccs1
BDBM50023505 COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1
BDBM50034536 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O
BDBM50051648 C[C@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051649 C[C@@H](N1C(=O)C2(CCCC2)C2=C1N=C(NC2N)c1ccccc1)c1ccccc1 |c:11,14|
BDBM50051650 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
BDBM50051678 C[C@@H](N1C(=O)C2(CCCC2)c2c1nc([nH]c2=O)-c1ccccc1)c1ccccc1
BDBM50051679 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
BDBM50262436 Nc1nc(cc(-c2cccs2)c1C#N)-c1ccco1
BDBM50262437 Nc1nc(cc(-c2ccccc2)c1C#N)-c1cccs1
BDBM50051651 COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
BDBM50006705 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
BDBM50173181 CC(C)NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173182 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCCc1ccccc1
BDBM50173183 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCCn1ccnc1
BDBM50173185 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCOCC1
BDBM50173186 CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173187 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCOCC1
BDBM50173188 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50173189 CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173190 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)NCCc1ccc(O)cc1
BDBM50014297 O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014298 Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
BDBM50119153 CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50218905 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50218908 COc1ccc(cc1)-n1cc2c(n1)c(NC(C)=O)nc1ccccc21
BDBM50218909 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
BDBM50218910 COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218911 COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218912 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
BDBM50218914 Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218916 COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50218917 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50276868 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccccc1
BDBM50276869 Fc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50202528 CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1
BDBM50011593 Nc1nc2ccccc2c2nc[nH]c12
BDBM50011594 N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50011595 Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50011596 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
BDBM50018570 Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
BDBM50018571 CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
BDBM50018572 CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O
BDBM50018573 Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12
BDBM50018574 CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O
BDBM50020998 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)N(C)C
BDBM50020999 COc1ccc(-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c(OC)c1
BDBM50021001 COc1cc(OC)cc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021002 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(N)(=O)=O
BDBM50021003 COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50053925 Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50053926 CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053927 CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1 |c:29|
BDBM50053928 CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053929 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50170831 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50170833 CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C |THB:17:16:13:10.11|
BDBM50039675 CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50025708 CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50019968 CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10|
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50170945 CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50039680 CCCn1c2nc(CN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O |c:11|
BDBM50039681 CCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
BDBM50039682 CCCn1c2nc(NC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039683 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1ccc(cc1)S(F)(=O)=O
BDBM50039684 CCCn1c2nc(NC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
BDBM50039685 CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039686 CCCn1c2nc(CCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
BDBM50039687 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)c(c1)[N+]([O-])=O
BDBM50039688 CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039689 CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039690 CCCn1c2nc(CNC(=O)c3ccccc3)[nH]c2c(=O)n(CCC)c1=O
BDBM50039694 CCCn1c2nc(CNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
BDBM50039695 CCCN1C(=O)C2NC(NC2N(CCCOC(=O)CBr)C1=O)C1CCCC1
BDBM50023506 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccoc1
BDBM50045356 Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50455635 C[Si](C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455634 CCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455636 CCCCOCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455637 CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455638 COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455639 CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455640 CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455641 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCO |r|
BDBM50009506 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50039692 CCCn1c2nc(CCCCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O
BDBM50039693 CCCn1c2nc(CCCCCN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O |c:15|
BDBM50039696 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1cccc(c1)S(F)(=O)=O
BDBM50065776 COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065777 Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065778 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I
BDBM50065779 CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)(c1ccccc1)c1ccccc1
BDBM50065780 Clc1ccc2nc(NCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50224360 Clc1cccc(c1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224361 Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50018002 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50018003 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(F)cc2)cc1
BDBM50019457 CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50065756 Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50018000 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
BDBM50007833 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
BDBM50007834 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
BDBM50007835 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
BDBM50007836 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
BDBM50007837 CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50008407 Oc1cccc(c1)C1=CSC2=Nc3ccccc3CN12 |t:8,11|
BDBM50008416 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
BDBM50008421 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.42,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
BDBM50008389 C[C@H](Cc1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50258620 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
BDBM50014273 C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50025579 Cn1c(=O)n(CCO)c2nc[nH]c2c1=O
BDBM50025580 CCCn1cnc2n(CCC)c(=O)n(CCC)c(=O)c12
BDBM50025581 CC(C)n1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50150762 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12
BDBM50150763 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12
BDBM50150764 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12
BDBM50150765 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12
BDBM50150766 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
BDBM50150767 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12
BDBM50116464 CC1CN=C2N1C(=O)N(C)c1ncn(C)c21 |c:3|
BDBM50116465 CN1c2ncn(C)c2C2=NCCCCN2C1=O |t:9|
BDBM50054681 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
BDBM50054682 CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50054683 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(C)cc1 |c:21,23|
BDBM50018015 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)C#N)cc1
BDBM50020962 OS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50119132 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50023395 CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50053931 Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50053932 CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
BDBM50053933 CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053934 CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053936 NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053937 CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50023396 CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023398 CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50053938 CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50003018 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
BDBM50003019 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
BDBM50003021 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
BDBM50003024 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
BDBM50053923 CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053924 CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50117109 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50074236 CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50065781 NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065782 Clc1ccc2nc(NC(=O)Cc3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50102282 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50018397 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccccc1
BDBM50018398 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
BDBM50018399 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccco1
BDBM50018400 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](Cc2cccs2)NC(=O)OC(C)(C)C)cc1
BDBM50018402 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1cccs1
BDBM50018403 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccco1
BDBM50018404 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
BDBM50018406 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
BDBM50045349 CCCn1c2nc(C)[nH]c2c(=O)n(CCC)c1=O
BDBM50045350 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(F)(F)F
BDBM50045351 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCC1
BDBM50045352 Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccccc1
BDBM50045353 Cn1c2nc(-c3ccccc3)n(CC=C)c2c(=O)n(CC=C)c1=O
BDBM50045354 Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50045355 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCC1
BDBM50159979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1
BDBM50159980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C#N)cc1
BDBM50159981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1
BDBM50159982 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(C)c2)cc1
BDBM50159983 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1
BDBM50163402 Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50163403 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1
BDBM50065757 C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065758 CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065763 NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065764 NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065765 CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065766 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065767 Clc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
BDBM50065768 Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1
BDBM50065769 Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065771 OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065772 COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065773 COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065774 C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065775 NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50224362 O=C(NCc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224363 Cc1ccc(cc1)-c1nn2c(N)nc3ccc(Cl)cc3n2c1=O
BDBM50224364 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224347 COc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
BDBM50224348 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50224349 Cc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
BDBM50224357 Nc1nc2ccccc2n2n1nc(-c1ccc(F)cc1)c2=O
BDBM50224358 Clc1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224359 COc1ccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)cc1
BDBM50045343 Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50045345 Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
BDBM50045346 CCCC=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:3.2|
BDBM50045347 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(F)(F)F
BDBM50009703 Cn1cnc2c(Nc3ccccc3)ncnc12
BDBM50248575 COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248576 COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248577 COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248578 COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50018436 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
BDBM50018437 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
BDBM50018438 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)OCC)cc1
BDBM50018010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50018012 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50018013 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)c2ccc(CBr)cc2)cc1
BDBM50179050 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(I)nc12
BDBM50179051 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
BDBM50179052 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
BDBM50179053 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
BDBM50152207 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152208 Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(nn12)-c1ccco1
BDBM50152212 Cc1cc(CN2CCC[C@@H]2CNc2cc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50152213 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50152214 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc(N)n2nc(nc2n1)-c1ccco1
BDBM50150074 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
BDBM50150075 COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
BDBM50150076 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
BDBM50118803 O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50118807 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50020964 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)[N+]([O-])=O
BDBM50020994 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50224353 O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
BDBM50224354 O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
BDBM50224355 COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224356 Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50224365 Clc1cccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)c1
BDBM50215110 CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50034516 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1
BDBM50034531 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
BDBM50034533 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1
BDBM50034540 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1
BDBM50020960 Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
BDBM50008369 Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50276160 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50009679 Cn1cnc2c(Nc3ccccc3)nc(Cl)nc12
BDBM50009680 Nc1ncnc2n(cnc12)C1CCCC1
BDBM50009540 Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009541 Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009542 [H][C@@]12C[C@@]([H])(C=C(CCNc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)C1)C2(C)C |t:5,TLB:7:6:30:2|
BDBM50009532 Nc1nc(NCCOc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009533 CN(CCC1CCCCC1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009534 Nc1nc(NC[C@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009547 CC(C)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50009548 C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50009549 Nc1nc(NC2Cc3ccccc3C2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009550 Nc1nc(NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009551 CCC(CC)CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50207120 COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1
BDBM50212812 Cn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50212813 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C(c1ccccc1)c1ccccc1
BDBM50212816 Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
BDBM50018009 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
BDBM50021010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCCN(C)C
BDBM50021011 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
BDBM50163564 CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50276107 COc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50171765 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171766 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50171767 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171769 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171770 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171771 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM1 CN(C)N\N=C1\N=CN=C1C(N)=O |c:6,8|
BDBM50025724 CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50025725 COc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
BDBM50025726 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50025727 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1
BDBM50011830 CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:8.8|
BDBM50011831 CCCn1c(=O)n(C)c2nc(CCc3ccccc3)[nH]c2c1=O
BDBM50011833 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
BDBM50171756 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1
BDBM50171757 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1
BDBM50171758 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1
BDBM50171759 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
BDBM50171760 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1
BDBM50171761 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1
BDBM50171762 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1
BDBM50171763 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50095942 C[C@@H](CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1)c1ccccc1
BDBM50205703 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC(C)O
BDBM50205704 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
BDBM50205705 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
BDBM50205706 CONc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50074228 CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074229 CCCOC(=O)c1c2CCOC(=O)c2c(CC)nc1-c1ccccc1
BDBM50074230 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074231 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50051361 CSc1sc(C(=O)NN)c2CCC=Cc12 |c:12|
BDBM50061933 COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC
BDBM50061934 CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O
BDBM50061935 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
BDBM50061936 Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061937 O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
BDBM50061938 CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
BDBM50061939 Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
BDBM50061940 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
BDBM50061941 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12
BDBM50061942 CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
BDBM50074218 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
BDBM50074219 CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
BDBM50074223 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
BDBM50014265 Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
BDBM50014266 NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014267 Nc1ncnc2n(ccc12)-c1ccccc1
BDBM50015767 CC(C)Nc1nc2ccccc2n2cnnc12
BDBM50015768 CCc1nnc2c(NC)nc3ccccc3n12
BDBM50015769 Nc1nc2ccc(F)cc2n2cnnc12
BDBM50020983 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)[N+]([O-])=O
BDBM50020984 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
BDBM50020985 CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50242873 Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50020988 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
BDBM50000788 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50095786 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1
BDBM50095787 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N
BDBM50095788 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F
BDBM50095790 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1
BDBM50095793 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1
BDBM50052388 CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
BDBM50052389 COc1ccc(cc1)C1CC=NC=C1 |c:11,13|
BDBM50052390 CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
BDBM50052391 CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
BDBM50052393 COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
BDBM50052395 COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:7,t:10|
BDBM50052396 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
BDBM50052397 CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4|
BDBM50171383 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2C(F)(F)F)s1
BDBM50186598 Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1
BDBM50159961 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2F)cc1
BDBM50159962 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1
BDBM50159963 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)cc1
BDBM50159964 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(OC)cc2)cc1
BDBM50171384 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(O)cc2)s1
BDBM50021290 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
BDBM50021292 C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
BDBM50021293 C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
BDBM50021294 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
BDBM50021295 C[C@H](Cc1ccccc1)Nc1ncnc2n(COCCO)cnc12
BDBM50171380 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(Cl)c2)s1
BDBM50171381 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(Cl)c(Cl)c2)s1
BDBM50171382 Cc1cc(C)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
BDBM50159971 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1
BDBM50159972 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
BDBM50159973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1
BDBM50159974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1
BDBM50159975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
BDBM50159976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(F)c2)cc1
BDBM50159977 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1
BDBM50018154 CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
BDBM50018155 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
BDBM50011216 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1
BDBM50186588 C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186589 COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50186590 CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186591 COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50186592 Clc1ccc(cc1Cl)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50060847 OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50037437 Cn1c(\C=C\c2cccc(NC(=O)CCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50020849 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(N)c1
BDBM50194821 CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
BDBM50194822 COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
BDBM50194823 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
BDBM50194824 CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1
BDBM50194825 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1
BDBM50194827 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
BDBM50004722 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004723 CCCn1c2n(ncc2c(=O)n(C)c1=O)-c1ccccc1
BDBM50006713 CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006714 CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006716 COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
BDBM50014296 Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
BDBM50015808 CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
BDBM50015809 CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3c(Cl)cccc3n12
BDBM50015810 CCc1nnc2c(N)nc3cc(Cl)ccc3n12
BDBM50015823 CCNc1nc2ccc(F)cc2n2c(CC)nnc12
BDBM50015824 CCNc1nc2cc(F)c(F)cc2n2cnnc12
BDBM50015825 CNc1nc2ccccc2n2cnnc12
BDBM50015826 CCc1nnc2c(nc3ccccc3n12)N1CCCC1
BDBM50015827 CC(C)Nc1nc2ccccc2n2c(C)nnc12
BDBM50015828 CC(C)Nc1nc2cc(F)c(F)cc2n2cnnc12
BDBM50015829 Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccc(Cl)cc1
BDBM50015830 CC(C)Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
BDBM50015831 CCc1nnc2c(NC(C)C)nc3cc(Cl)c(Cl)cc3n12
BDBM50015832 C1CCN(C1)c1nc2ccccc2n2cnnc12
BDBM50015833 CCc1nnc2c(NC(C)=O)nc3cc(Cl)c(Cl)cc3n12
BDBM50015820 CC(=O)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50176051 CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50176054 Cc1cc2n(C)c(nc2c(N)n1)-n1nccn1
BDBM50176055 CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50176057 Cn1c(nc2c(N)ncnc12)-n1nccn1
BDBM50176058 CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50009535 Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7|
BDBM50009263 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
BDBM50053939 CCCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50139877 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50015778 CCNc1nc2ccccc2n2c(CC)nnc12
BDBM50084862 Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50084863 Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50009695 CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
BDBM50009696 C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
BDBM50009697 Nc1ncnc2n(CCO)cnc12
BDBM50009698 Cn1cnc2c(NC3CCCC3)ncnc12
BDBM50009699 C1CCC(C1)Nc1ncnc2n(cnc12)-c1ccccc1
BDBM50009700 CC[C@@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
BDBM50009701 CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
BDBM50009702 Cn1cnc2c(N)nc(Cl)nc12
BDBM50009531 Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50139868 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50139869 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139870 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50139871 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139872 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139873 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139874 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139875 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139876 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50084445 OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
BDBM50009681 CCn1cnc2c(N)ncnc12
BDBM50015779 CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12
BDBM50287703 OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50254003 COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
BDBM50254004 COc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254005 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C#N)c2n1
BDBM50254006 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1
BDBM50042220 Cn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
BDBM50163461 Nc1nc(SCCO)c(C#N)c(-c2ccc(OC(F)(F)F)cc2)c1C#N
BDBM50163462 Cc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N
BDBM50163463 Nc1nc(SCCO)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
BDBM50163464 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
BDBM50159722 CC(OC(C)(C)C)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159724 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCC1
BDBM50194811 Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1
BDBM50194812 COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F
BDBM50194813 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1
BDBM50177308 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N(C)C
BDBM50177309 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50163457 Nc1nc(SCCO)c(C#N)c(-c2cccc(OC(F)(F)F)c2)c1C#N
BDBM50163458 CN(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
BDBM50163459 Nc1nc(SCCO)c(C#N)c(-c2ccc(F)cc2)c1C#N
BDBM50163460 Nc1nc(SCCO)c(C#N)c(-c2cccc(c2)C(F)(F)F)c1C#N
BDBM50194814 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
BDBM50100416 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50100417 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50100418 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50100419 CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12
BDBM50183519 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3ccccc3n1)n1nc(nc21)-c1ccco1
BDBM50183520 Cn1cc2c(n1)nc(NC(=O)Nc1ccc[n+](C)c1)n1nc(nc21)-c1ccco1
BDBM50183521 Cn1cc2c(n1)nc(NC(=O)[NH+]=c1ccn(C)cc1)n1nc(nc21)-c1ccco1 |(-10.58,-30.28,;-9.82,-28.94,;-8.3,-28.76,;-7.99,-27.26,;-9.33,-26.5,;-10.46,-27.54,;-9.32,-24.95,;-7.99,-24.17,;-7.99,-22.62,;-6.66,-21.85,;-6.66,-20.31,;-5.32,-22.62,;-3.98,-21.85,;-3.98,-20.32,;-2.65,-19.55,;-1.31,-20.32,;.02,-19.54,;-1.3,-21.86,;-2.64,-22.63,;-6.66,-24.95,;-5.19,-24.47,;-4.29,-25.71,;-5.19,-26.96,;-6.66,-26.49,;-2.74,-25.71,;-1.84,-24.46,;-.38,-24.91,;-.37,-26.48,;-1.83,-26.96,)|
BDBM50183522 Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50100423 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50100424 CNc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50100425 CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50237082 CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
BDBM50138547 CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138548 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138549 O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138550 CN(C)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138551 O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50254932 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1
BDBM50254933 CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50179035 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
BDBM50179036 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
BDBM50179037 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
BDBM50179038 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12
BDBM50186983 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50186984 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50186985 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1
BDBM50179022 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
BDBM50186989 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50219389 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50267476 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22|
BDBM50138542 CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138543 O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50138544 O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50248262 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O
BDBM50253991 Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1
BDBM50108034 CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
BDBM50108035 CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108036 CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50205279 c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50251146 Cc1cc2[nH]c3cccnc3c2c(C)c1O
BDBM50251147 Cc1cc2n(C)c3cccnc3c2c(C)c1O
BDBM50108028 Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50255246 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC |r|
BDBM50255247 COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(n1)-n1nc(C)cc1C |r|
BDBM50255248 COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C |r|
BDBM50255249 CCN(CC)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50255250 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1
BDBM50021283 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
BDBM50021286 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
BDBM50208804 Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208807 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
BDBM50208809 Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208810 Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208782 Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208783 Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208784 Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208785 Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208786 Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208787 Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208788 Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208789 CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50208791 Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208792 Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50253987 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1
BDBM50253988 Cc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
BDBM50253989 Cc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50253990 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(F)(F)F)c2n1
BDBM50254007 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+]([O-])=O)c2n1
BDBM50254008 Nc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254009 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254010 NCc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254011 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c(F)c1
BDBM50051667 COc1cccc(c1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
BDBM50051668 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)c(Cl)c1
BDBM50051669 C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051670 C[C@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051671 C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
BDBM50051672 C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051673 C[C@@H](Nc1ncnc2n([C@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1
BDBM50051674 O=C1Nc2nc[nH]c(=O)c2C11CCCC1
BDBM50236760 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50268107 CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
BDBM50268109 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50268110 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50272033 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1
BDBM50253324 Cc1c(sc(N)c1C(N)=O)C(=O)Nc1ccccc1
BDBM50080286 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
BDBM50097439 O=C(Nc1nc(cc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50097440 O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
BDBM50086165 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
BDBM50086166 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
BDBM50086167 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50086168 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
BDBM50086169 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1
BDBM50086170 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
BDBM50186992 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1
BDBM50186993 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50034178 Nc1nc(Cl)nc2n(cnc12)C1CC(O)C(CO)S1
BDBM50034179 Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)nc12
BDBM50042204 O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1
BDBM50205280 CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50146769 CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:14|
BDBM50146772 Cc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:12|
BDBM50146774 CCCc1c(O)c2[nH]c(CN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:11|
BDBM50202770 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1
BDBM50202773 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50268085 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
BDBM50238959 CC(C)c1nc(-c2nccs2)c2sccc2n1
BDBM50276161 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50241166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50138545 C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50138546 CCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50202561 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12 |r|
BDBM50202562 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3nc(cn3C)[N+]([O-])=O)ncnc12 |r|
BDBM50202563 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12 |r|
BDBM50202564 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12 |r|
BDBM50253998 Nc1nc(-c2ccco2)c2[nH]nnc2n1
BDBM50253999 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254000 Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
BDBM50254001 Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254002 Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254012 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1
BDBM50254013 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50211679 [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
BDBM50211680 N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
BDBM50211681 COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
BDBM50211682 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
BDBM50211683 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
BDBM50211684 COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
BDBM50211685 N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
BDBM50252829 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50117090 Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br
BDBM50152215 Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50140950 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)nn1C
BDBM50140951 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
BDBM50140953 CCCn1c2nc(-c3ccc(N)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50140954 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)cc2)nn1C
BDBM50140955 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C
BDBM50140956 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
BDBM50140957 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
BDBM50140958 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
BDBM50140959 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
BDBM50150077 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
BDBM50150078 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
BDBM50097441 COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50060417 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
BDBM50208793 C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50208794 Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208796 COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
BDBM50208797 Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208798 Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208799 Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208800 Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208801 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
BDBM50208803 COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
BDBM50095606 CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50194815 CCSc1nc(N)nc(n1)-c1ccccc1
BDBM50042206 C=CCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50097421 COc1ccc(cc1)C(=O)Nc1cc(ncn1)-c1ccccc1
BDBM50097422 O=C(Nc1nc(ns1)-c1ccccc1)Nc1ccccc1
BDBM50097423 COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50163451 Cc1ccc(cc1)-c1c(C#N)c(N)nc(SCCO)c1C#N
BDBM50163452 Nc1nc(SCCO)c(C#N)c(-c2cccc(F)c2)c1C#N
BDBM50163453 Nc1nc(SCCO)c(C#N)c(-c2cccc(OC(F)F)c2)c1C#N
BDBM50163454 Nc1nc(SCCO)c(C#N)c(-c2ccc(cc2)C(F)(F)F)c1C#N
BDBM50159726 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1csc2ccccc12
BDBM50159727 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCO
BDBM50159728 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCC1CCCCC1
BDBM50179042 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12
BDBM50179043 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12
BDBM50179045 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
BDBM50179046 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12
BDBM50179047 CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
BDBM50179048 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12
BDBM50151179 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50151180 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccnc3ccccc23)CC1
BDBM50151181 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1
BDBM50151182 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
BDBM50170816 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12
BDBM50170817 Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12
BDBM50170818 C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12
BDBM50170820 CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
BDBM50170826 Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12
BDBM50170827 C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0|
BDBM50202571 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12 |r|
BDBM50253751 Cc1sc(N)c(C(=O)c2cccs2)c1C
BDBM50140969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3cccc(c3)C(F)(F)F)cc2)nn1C
BDBM50239036 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
BDBM50266473 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1COc1ccccn1 |r|
BDBM50266474 COC[C@H]1C[C@@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC |r|
BDBM50034180 Nc1nc(NCCc2ccccc2)nc2n(cnc12)C1CC(O)C(O)C1O
BDBM50034183 CNC(=O)C1CC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50267474 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50267475 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:15:16:20.19:22|
BDBM50262268 Nc1nc(cc(-c2cccc(OC(F)(F)F)c2)c1C#N)-c1ccco1
BDBM50262388 Nc1nc(cc(-c2ccco2)c1C#N)-c1ccccc1
BDBM50268131 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50268132 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50308490 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308491 Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308493 COc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308494 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50308495 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308496 Cc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308497 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308498 O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1
BDBM50308499 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50262204 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1ccco1
BDBM50262205 COc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50020982 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F
BDBM50239041 Nc1nc(-c2ccco2)c2[nH]cnc2n1
BDBM50205286 C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205287 Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205288 CCc1nc2nc(C)cc(C)c2[nH]1
BDBM50205289 CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205290 CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50156648 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156649 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50194816 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1
BDBM50308500 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50205282 O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50205283 C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205284 CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205285 CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50276941 Clc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50194817 Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1
BDBM50194818 COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1
BDBM50194819 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl
BDBM50194820 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1
BDBM50248378 COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1
BDBM50262265 COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50262266 Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccco1
BDBM50262267 Nc1nc(cc(-c2ccc(O)cc2)c1C#N)-c1ccco1
BDBM50179182 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12
BDBM50064697 Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064698 Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50058235 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 |THB:6:17:22.24:20,23:22:20:17.18,23:24:20:17.18|
BDBM50082420 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50082421 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50082423 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50082425 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50082426 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50248433 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50051675 C[C@@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051662 CC(N1C(=O)C2(CCCC2)c2c1nc[nH]c2=O)c1ccccc1
BDBM50051663 C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
BDBM50051664 C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051665 C[C@@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051666 C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
BDBM50219386 CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50179031 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
BDBM50097424 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097425 O=C(Nc1nc(cs1)-c1ccccn1)Nc1ccccc1
BDBM50097426 OC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(9.15,-12.04,;10.26,-10.94,;9.83,-9.87,;8.52,-9.13,;9.01,-7.88,;9.36,-8.89,;10.73,-9.69,;9.01,-6.57,;10.16,-5.91,;7.86,-5.91,;7.86,-4.57,;9.08,-4,;9.08,-2.45,;6.66,-2.45,;6.66,-3.86,;10.19,-1.35,;11.69,-1.75,;12.77,-.64,;12.37,.86,;10.84,1.25,;9.76,.13,)|
BDBM50097427 CC(C)Oc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097428 O=C(Nc1nc(ns1)-c1ccccc1)C1CCCCC1
BDBM50097429 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097430 O=C(Nc1nc(cs1)-c1ccccn1)c1ccccc1
BDBM50188569 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
BDBM50188570 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
BDBM50186979 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
BDBM50186980 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1
BDBM50186981 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1
BDBM50179023 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
BDBM50179024 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12
BDBM50179025 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12
BDBM50179026 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
BDBM50179027 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
BDBM50179028 CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50179030 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
BDBM50179032 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
BDBM50179033 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12
BDBM50159710 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1ccccc1
BDBM50202986 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50048460 CSc1sc(C(O)=O)c2CCCC(=O)c12
BDBM50048461 CSc1sc(C(=O)NN)c2CCCC(O)c12
BDBM50048462 CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048465 CCCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50163004 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12
BDBM50163006 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)nc(Cl)nc12
BDBM50163008 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)nc(Cl)nc12
BDBM50163010 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
BDBM50146780 Cc1c(O)c2[nH]c(CCCN3N=CCCC3=O)nc2n(C)c1=O |c:11|
BDBM50183516 Cn1cc2c(n1)nc(NC(=O)Nc1ccoc1)n1nc(nc21)-c1ccco1
BDBM50060165 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50221683 Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50163012 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12
BDBM50163014 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
BDBM50163015 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
BDBM50163016 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r|
BDBM50042210 Cn1cnc2[nH]c(=O)n(C)c(=O)c12
BDBM50042211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50147872 Cc1cc(O)c2ccc(=O)[nH]c2n1
BDBM50147873 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1
BDBM50147874 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1
BDBM50117222 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
BDBM50117223 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
BDBM50166743 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
BDBM50163019 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3Cl)nc(Cl)nc12
BDBM50163020 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50163017 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
BDBM50163018 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50248318 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O
BDBM50248319 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O
BDBM50248320 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(c2)C#N)c1=O
BDBM50205281 CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50248317 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O
BDBM50233102 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233103 FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233104 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50100420 Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50100421 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50166735 Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
BDBM50166737 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
BDBM50166739 N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
BDBM50147870 Cc1ccc2c(O)ccnc2n1
BDBM50147871 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1
BDBM50180209 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50094678 Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
BDBM50094679 COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094680 CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094681 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094682 [#6]\[#6](-[#6])=[#6]\[#6]-n1cc2c(n1)nc(-[#7])n1nc(nc21)-c1ccco1
BDBM50094683 Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
BDBM50094691 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094692 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094693 CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50094694 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094695 [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#7]-c2nc3nn(-[#6]\[#6]=[#6](\[#6])-[#6])cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094696 COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094697 COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094698 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094699 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094700 COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094701 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50233100 FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233101 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50028963 O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1
BDBM50151186 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1
BDBM50151187 Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151188 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
BDBM50151194 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cscn2)CC1
BDBM50147867 CCCc1cc(O)c2ccc(N)nc2n1
BDBM50147868 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50147869 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
BDBM50271450 COc1ccc(cc1)-n1nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50266382 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCOCC1
BDBM50266384 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1
BDBM50266385 CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50233087 O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1
BDBM50233088 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233089 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233090 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50233091 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50233092 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233093 Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233094 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233096 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233097 FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
BDBM50233098 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233099 Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
BDBM50233084 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233086 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50180210 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50180211 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50166741 [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
BDBM50166742 Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
BDBM50233105 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
BDBM50233106 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233107 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50264213 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50273312 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50266380 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCCC1
BDBM50266381 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O
BDBM50140960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)c(F)c2)nn1C
BDBM50140961 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
BDBM50140962 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
BDBM50199290 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
BDBM50233109 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
BDBM50225884 CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50225885 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCSC3)ncnc12
BDBM50147863 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1
BDBM50147864 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O
BDBM50147865 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1
BDBM50147866 Cc1cc(O)c2ccc(N)nc2n1
BDBM50199289 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50086143 COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50179298 Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179299 CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
BDBM50179300 O=c1n2CCCSc2nc2nn[nH]c12
BDBM50179301 CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
BDBM50147860 Cc1ccc2c(N)ccnc2n1
BDBM50147861 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147862 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1
BDBM50188552 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
BDBM50188553 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188555 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50188558 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
BDBM50188559 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
BDBM50188560 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
BDBM50170821 C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50170822 C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50170823 CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
BDBM50170830 C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50163449 Nc1nc(SCCO)c(C#N)c(-c2cccc(O)c2)c1C#N
BDBM50163450 Nc1nc(SCCO)c(C#N)c(-c2ccc(OC(F)F)cc2)c1C#N
BDBM50179287 c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
BDBM50179289 CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
BDBM50179292 COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179293 Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
BDBM50179294 Oc1c2nnnc2nc2sccn12
BDBM50179295 c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
BDBM50179296 [O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM50179297 c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
BDBM50308486 Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50308487 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccco1
BDBM50308488 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308489 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50292322 CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] |w:4.4,^1:29|
BDBM50292323 CC1(C)N([O])C(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |^1:4|
BDBM50267396 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
BDBM50267397 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50140976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@@H](C)c2ccccc2)nn1C
BDBM50140977 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCC(O)=O)nn1C
BDBM50140978 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
BDBM50140979 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
BDBM50140985 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C
BDBM50140986 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCCN)nn1C
BDBM50140987 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nn1C
BDBM50140991 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)N(C)C)nn1C
BDBM50140993 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)cc2)nn1C
BDBM50140994 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C
BDBM50140995 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
BDBM50140996 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
BDBM50140997 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(Cl)c2)nn1C
BDBM50140998 Cn1nc(cc1N)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50140999 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(CC(C)C)cc2)nn1C
BDBM50141000 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
BDBM50141001 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@H](C)c2ccccc2)nn1C
BDBM50141002 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)no1
BDBM50141003 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C(O)=O)n(C)n1
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50141008 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(Cl)c2)nn1C
BDBM50140992 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
BDBM50292319 CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
BDBM50292320 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |^1:4|
BDBM50292321 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:4|
BDBM50140972 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)CC)nn1C
BDBM50140973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)cc2)nn1C
BDBM50140974 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
BDBM50140989 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
BDBM50140990 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)cc2)no1
BDBM50266054 CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266086 O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1
BDBM50256842 Cn1c(Br)nc2c(N)ncnc12
BDBM50256843 CCn1cnc2ncnc(N)c12
BDBM50140988 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
BDBM50163448 COc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N
BDBM50064694 Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064695 Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064696 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064699 Nc1nc2n(Cc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064700 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064701 Nc1nc2n(Cc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064702 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC
BDBM50066283 CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50145226 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1
BDBM50145230 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
BDBM50257057 CC(O)Cn1c(Br)nc2c(N)ncnc12
BDBM50165325 COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50051226 Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051227 CCCCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50049389 Cc1ccc(cc1)-c1cc(=O)c2c(C)c(C)c(C)cc2o1
BDBM50049390 COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50049392 COc1cc2c3C(=O)CCCc3oc(=O)c2cc1OC
BDBM50049393 COC1CC2C3(C=C1)C(C[N+]2(C)Cc1cc2OCOc2cc31)OC(C)=O |c:6,TLB:22:8:4:21.13.12,THB:20:21:4:8.9|
BDBM50049394 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
BDBM50049395 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM50049396 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(C)cc2o1
BDBM50049397 COc1cc2CCn3c2c(c1)c1cc2OCOc2cc1c3=O
BDBM50049398 COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
BDBM50049403 CCn1c2CCCC(=O)c2c2cc3OCOc3cc2c1=O
BDBM50095778 Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1
BDBM50095781 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1
BDBM50095784 CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1
BDBM50202576 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)nc(Cl)nc12 |r|
BDBM50202577 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12 |r|
BDBM50202578 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12 |r|
BDBM50165326 Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
BDBM50165328 O=c1c(nn2n1c1ccccc1[nH]c2=O)-c1ccccc1
BDBM50165330 Cc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
BDBM50165331 Cc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50165332 Clc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
BDBM50165335 Clc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50165337 Fc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50043206 CCCn1c2[nH]c(CC(C)c3ccccc3)nc2c(=O)n(CCC)c1=O
BDBM50043207 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)c1ccccc1
BDBM50179034 CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50188562 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
BDBM50188564 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188565 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
BDBM50188566 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
BDBM50188583 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50097433 Ic1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50257095 Nc1ncnc2ncn(CC(O)CO)c12
BDBM50257098 Nc1ncnc2n(CCc3ccccc3)c(Br)nc12
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
BDBM50182986 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1=CCCCC1 |t:29|
BDBM50182987 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#Cc1ccc(OC)cc1
BDBM50182988 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@H](C)O
BDBM50193584 Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
BDBM50043208 CCCC(Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
BDBM50043209 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H](CC)c1ccccc1
BDBM50117239 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
BDBM50266503 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r|
BDBM50266504 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 |r|
BDBM50214817 NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50051230 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
BDBM50051231 OCCn1ncc2c3nc(nn3c(NCc3ccccc3)nc12)-c1ccco1
BDBM50051232 Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1
BDBM50051233 CC(C)(C)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50051234 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50051235 Nc1nc2n(CCCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50081670 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081671 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081672 CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
BDBM50081669 CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1
BDBM50082416 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50090850 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50291815 Cn1cnc2c1n(C)c(=O)n(C)c2=O
BDBM50268181 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50268182 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
BDBM50048466 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50082417 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50082418 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM50082419 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50112193 Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112194 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112195 CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112196 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCOc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50088469 CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50146781 Cc1c(O)c2[nH]c(CCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:10|
BDBM50146782 Cc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:11|
BDBM50146795 CCCc1c(O)c2[nH]c(CCCCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O |c:14|
BDBM50146796 Cc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O |t:9|
BDBM50097436 Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50163021 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50147858 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147859 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
BDBM50163023 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50163024 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12
BDBM50163025 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
BDBM50163026 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(N)c(I)c3)nc(Cl)nc12
BDBM50163027 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12
BDBM50163028 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
BDBM50042207 Clc1cccc(Cn2c(=O)[nH]c3nc[nH]c3c2=O)c1
BDBM50042208 Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
BDBM50042209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50042212 CC(=O)Cn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50042213 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)C1CCCCC1
BDBM50042214 O=c1[nH]c2nc([nH]c2c(=O)[nH]1)-c1ccccc1
BDBM50042215 O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1
BDBM50042216 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1ccccc1
BDBM50042217 O=c1[nH]c2nc[nH]c2c(=O)n1CC#C
BDBM50042218 Clc1cccc(Cn2c(=O)[nH]c3nc([nH]c3c2=O)-c2ccccc2)c1
BDBM50042219 Cn1cnc2[nH]c(=O)n(CC#C)c(=O)c12
BDBM50266440 CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50266443 COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50276942 Clc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50276772 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1cccs1
BDBM50267393 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50256949 CC(C)Cn1cnc2ncnc(N)c12
BDBM50256950 CC(C)Cn1c(Br)nc2c(N)ncnc12
BDBM50256951 CCCCn1cnc2c(N)ncnc12
BDBM50256952 Nc1ncnc2n(C3CCCCC3)c(Br)nc12
BDBM50256953 CCCCn1c(Br)nc2c(N)ncnc12
BDBM50256954 Nc1ncnc2n(CCC=C)cnc12
BDBM50166745 N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
BDBM50088462 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50109461 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109462 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50140963 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(OC)c2)nn1C
BDBM50140964 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
BDBM50140965 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)c(OC)c2)nn1C
BDBM50140966 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
BDBM50140967 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
BDBM50140968 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)nn1C
BDBM50257074 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O
BDBM50202572 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12 |r|
BDBM50202573 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r|
BDBM50202574 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12 |r|
BDBM50202575 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12 |r|
BDBM50188585 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
BDBM50308501 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308502 CNc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308503 CNc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50308504 CNc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308505 COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1
BDBM50308506 CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O
BDBM50308507 OC1CCC(CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |(25.44,4.86,;24.11,4.15,;24.1,2.61,;22.77,1.85,;21.43,2.63,;21.43,4.16,;22.77,4.93,;20.1,1.87,;20.1,.33,;18.77,-.45,;18.78,-1.98,;20.11,-2.75,;21.42,-1.98,;22.89,-2.46,;23.8,-1.22,;22.9,.03,;21.44,-.44,;17.45,-2.75,;16.11,-1.99,;14.78,-2.75,;14.78,-4.3,;16.11,-5.07,;17.45,-4.3,)|
BDBM50276707 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1
BDBM50156639 Cn1nc(c(CN2CCN3C[C@@H](CNc4nc(N)n5nc(nc5n4)-c4ccco4)CC[C@@H]3C2)c1Cl)C(F)(F)F |r|
BDBM50156640 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3)CC[C@H]2C1 |r|
BDBM50156641 COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
BDBM50156643 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccc4ccccc4n3)CC[C@H]2C1 |r|
BDBM50156644 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccncc3)Cc3ccncc3)CC[C@H]2C1 |r|
BDBM50268108 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50268256 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50268257 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50096295 OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
BDBM50279420 COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279421 COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279422 COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50074237 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
BDBM50074238 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
BDBM50074239 CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
BDBM50074240 CCOC(=O)c1c(CCCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50268247 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50268248 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50054685 CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50054686 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23|
BDBM50054684 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50008397 Nc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1
BDBM50244182 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12
BDBM50173175 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1
BDBM50173176 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1
BDBM50202565 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12 |r|
BDBM50202566 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3sccc3C)nc(Cl)nc12
BDBM50202567 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(C)on3)nc(Cl)nc12 |r|
BDBM50202568 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12 |r|
BDBM50202569 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12 |r|
BDBM50202570 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12 |r|
BDBM50059388 CCOCN1C(C)=C(C(C#Cc2ccccc2)C(C(O)=O)=C1c1ccccc1)C(=O)OCC |c:6,21|
BDBM50059390 CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(C)N=C1C |c:21,t:18|
BDBM50059391 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccccc1 |c:12,14|
BDBM50059392 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccncc1 |c:12,14|
BDBM50009508 Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009509 Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009511 CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50009513 Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
BDBM50009514 Nc1nc(NCCc2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009515 Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009516 CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50163414 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1
BDBM50163416 Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(nn12)-c1ccco1
BDBM50163417 Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(nn12)-c1ccco1
BDBM50163420 Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1
BDBM50163421 Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50163422 Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50163423 Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1
BDBM50163424 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2)nc2nc(nn12)-c1ccco1
BDBM50163425 Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1
BDBM50163426 Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1
BDBM50163431 Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2)nc2nc(nn12)-c1ccco1
BDBM50163432 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1
BDBM50163395 Nc1nc(NC[C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50163396 Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50254894 CC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254895 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1
BDBM50254896 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1
BDBM50254897 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1
BDBM50163398 Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50163399 Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50215111 OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50205579 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
BDBM50163456 Nc1nc(SCCO)c(C#N)c(-c2ccc(O)cc2)c1C#N
BDBM50159711 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCC1
BDBM50159712 CC(C)CCC(C)(O)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159713 CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159714 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1ccccc1
BDBM50159715 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccncc1
BDBM50095602 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50095603 CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50095605 CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50045337 CC(C)Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
BDBM50045338 Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccccc1
BDBM50045339 CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
BDBM50045340 Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50045341 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50045342 CCC\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50025699 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1N
BDBM50025700 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccncc1
BDBM50152069 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
BDBM50152070 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
BDBM50258672 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
BDBM50034904 Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
BDBM50159729 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(O)cc1
BDBM50159730 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1cccnc1
BDBM50159731 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)(c1ccccc1)C(F)(F)F
BDBM50116367 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1
BDBM50013685 CC(C)n1cnc2c(N)ncnc12
BDBM50171751 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50094687 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM50094688 CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50094689 CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094690 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50276769 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCC1
BDBM50276770 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCCC1
BDBM50276771 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCCCC1
BDBM50218918 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
BDBM50218919 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50218920 Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218922 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
BDBM50218923 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50218924 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
BDBM50218926 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1
BDBM50218928 [O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218930 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
BDBM50268149 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50268150 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50268151 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50258621 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
BDBM50171753 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
BDBM50171754 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O |(7.36,-8.29,;7.36,-6.75,;6.03,-5.98,;6.03,-4.43,;7.36,-3.66,;8.69,-4.43,;8.69,-5.98,;7.35,-2.12,;6.02,-1.36,;6,.18,;4.67,-2.15,;4.7,-3.69,;3.37,-4.46,;2.03,-3.69,;.68,-4.48,;-.65,-3.71,;-1.98,-4.48,;-.65,-2.17,;.68,-1.38,;2.03,-2.15,;3.34,-1.38,;3.34,.16,)|
BDBM50171755 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
BDBM50141004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
BDBM50233076 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233077 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50233078 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233079 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
BDBM50233080 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233081 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233082 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233083 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50173192 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCc1ccc(O)cc1
BDBM50173193 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(CC1)c1ccncc1
BDBM50173196 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1
BDBM50173200 CN(Cc1ccccc1)C(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173201 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1
BDBM50053945 CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1
BDBM50163409 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)ccc2F)nc2nc(nn12)-c1ccco1
BDBM50163412 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50162482 O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50268232 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50268233 Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
BDBM50268234 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50054668 CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
BDBM50054669 [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30|
BDBM50054673 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
BDBM50054676 COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCCN(C)Cc1ccccc1 |w:21.23,c:4,t:7|
BDBM50054677 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50053946 CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50053947 CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50059379 CCOC(=O)C1C(c2ccco2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
BDBM50059380 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)SCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50059381 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)SCC)c1ccccc1 |t:5,7|
BDBM50059383 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC(OC)c2ccccc2)=C(N=C1C)c1ccccc1 |c:30,32|
BDBM50059384 CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C#Cc1ccccc1)c1ccccc1 |t:5,7|
BDBM50014255 CC(C)Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
BDBM50014256 CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O
BDBM50014258 CN1CC(=O)N(C)c2nc[nH]c2C1=O
BDBM50014259 CC(C)CN1c2nc[nH]c2C(=O)N(C)CC1=O
BDBM50014260 Cn1cnc2n(C)c(=O)[nH]c(=O)c12
BDBM50014261 CCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
BDBM50014262 CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
BDBM50014263 CCCN1c2nc[nH]c2C(=O)NCC1=O
BDBM50014264 CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O
BDBM50163404 Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1
BDBM50163406 Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1
BDBM50163407 Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50163408 Cc1cccc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c1
BDBM50241444 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50163455 Nc1nc(SCCO)c(C#N)c(-c2ccccc2)c1C#N
BDBM50225876 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Cl)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50225877 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC[Se]C3)ncnc12
BDBM50225878 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCN(C3)C(=O)OCc3ccccc3)ncnc12
BDBM50225879 CC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50225880 CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:5:7:12.13:9.10,THB:14:12:7:9.10|
BDBM50225881 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Br)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50079452 CCOC(=O)C1[C@@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50163401 Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
BDBM50021280 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
BDBM50021281 C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
BDBM50086146 CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50159719 CCC(O)(CC)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159720 CC(C)C(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)C(C)C
BDBM50159732 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccccc1
BDBM50159733 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1csc2ccccc12
BDBM50159734 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC1(N)CCCCC1
BDBM50177307 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50009073 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
BDBM50045336 Cc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50006707 CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006709 COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006711 CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50105061 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50236738 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50144902 COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
BDBM50152073 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
BDBM50152074 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152075 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
BDBM50152076 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
BDBM50152077 CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152078 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50176736 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1
BDBM50176740 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
BDBM50176741 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
BDBM50176742 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
BDBM50034372 COc1cccc(c1)-n1nc(C)c2c(O)c3ccccc3nc12
BDBM50151865 O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
BDBM50065755 CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50205584 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12
BDBM50205585 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
BDBM50205586 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12
BDBM50205587 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12
BDBM50097431 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50097432 COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)|
BDBM50041576 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50041577 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)N(C)C
BDBM50041578 CCCn1c(=O)[nH]c2cc[nH]c2c1=O
BDBM50041579 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc2ccccc2c1
BDBM50041580 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1cccc2ccccc12
BDBM50196543 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196544 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
BDBM50196545 CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196546 CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196547 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1
BDBM50196548 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
BDBM50196549 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1
BDBM50190706 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
BDBM50190707 CCCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50109445 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50109446 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109447 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109448 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109449 CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109453 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109454 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109455 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109456 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109457 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109458 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109459 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109460 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109488 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109489 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50109467 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109468 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50265408 [O-][N+](=O)c1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
BDBM50031231 Nc1ncnc2n(cnc12)C1OC(CO)CC1O
BDBM50031233 CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50031234 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50088463 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50116368 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
BDBM50116370 CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116371 C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116372 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
BDBM50116373 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
BDBM50116375 CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O
BDBM50116376 CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
BDBM50116379 CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50080288 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
BDBM50080289 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
BDBM50080290 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
BDBM50109469 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50109470 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50109471 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109472 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50109473 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109474 COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
BDBM50109475 CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109476 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109477 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109480 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109481 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109482 CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109483 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109484 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109485 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109486 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109487 COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50081675 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
BDBM50081678 CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
BDBM50108042 Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108043 Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
BDBM50108039 Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108040 Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
BDBM50112198 Cc1ccc(cc1F)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112199 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(C)c(C)c1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50113234 Cn1c2nc[nH]c2c(=O)n(CCCc2ccccc2)c1=O
BDBM50113235 Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
BDBM50113238 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)c(OC)c(O)c1
BDBM50113239 CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
BDBM50113242 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(C)=O)cc1
BDBM50113244 Cn1c2ncn(CCCCl)c2c(=O)n(C)c1=O
BDBM50199300 CCCn1c2nc(nc2c2NC[C@@H](C)n2c1=O)C12CCC(O)(CC1)CC2
BDBM50199301 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50199302 CCCn1c2nc(nc2c2N[C@H](Cc3ccccc3)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50171773 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1
BDBM50171774 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1
BDBM50171777 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1
BDBM50171778 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1
BDBM50266415 COCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50266416 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50202002 CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N |(30.4,-.59,;29.07,-1.36,;29.07,-2.9,;30.41,-3.67,;31.74,-2.89,;27.74,-3.68,;26.41,-2.92,;26.41,-1.38,;25.07,-.61,;23.74,-1.38,;22.4,-.61,;21.07,-1.38,;22.41,.93,;21.07,1.7,;19.74,2.48,;23.73,1.7,;23.73,3.24,;22.39,4,;22.38,5.54,;23.72,6.32,;25.05,5.55,;25.06,4.01,;26.39,3.24,;25.07,.94,;26.4,1.72,;27.73,2.49,)|
BDBM50109478 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50268965 Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50256998 Nc1ncnc2n(cnc12)C1CC1
BDBM50256999 Nc1ncnc2n(CC=C)c(Br)nc12
BDBM50257000 Nc1ncnc2n(cnc12)C1CCC1
BDBM50257001 Nc1ncnc2n(C3CCC3)c(Br)nc12
BDBM50256925 COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
BDBM50085371 COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50259665 CC(=O)Cc1cc(O)cc2oc(CO)cc(=O)c12
BDBM50259667 CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@@]1(C)O |r|
BDBM50259668 CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@]1(C)O |r|
BDBM50098221 CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
BDBM50152222 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1
BDBM50152224 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152225 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50080292 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
BDBM50080293 Cc1[nH]c2nc(nc(NCCCN3CCCC3=O)c2c1C)-c1ccccc1
BDBM50152217 Cc1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50152218 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152219 Nc1cc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50152220 Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(nn12)-c1ccco1
BDBM50152221 Cc1cc(CN2CCC[C@@H]2CNc2cc3nc(nn3c(N)n2)-c2ccco2)no1
BDBM50232154 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232155 Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232156 O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232157 CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50259777 OC(=O)CCCCCC#C\C=C\CCCCC#C\C=C\Br
BDBM50176815 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
BDBM50176822 COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
BDBM50040348 Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
BDBM50040349 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
BDBM50040350 CS(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
BDBM50040351 CCCn1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
BDBM50040355 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(c1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50040371 COc1ccc(Cn2c(N=C3CCCN3C)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc1 |w:9.8|
BDBM50040372 Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1S(=O)(=O)c1ccc(Cl)cc1
BDBM50109439 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109440 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109441 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109442 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109443 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109444 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109450 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109451 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109479 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109452 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50254353 CCc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50254354 CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50254355 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1
BDBM50020975 COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50080539 Nc1sc2CN(Cc3cccc(Cl)c3)CCc2c1C(=O)c1ccccc1
BDBM50080540 Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1
BDBM50080541 Nc1sc2CCCCc2c1C(=O)c1ccc(I)cc1
BDBM50109436 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50109437 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109438 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50199303 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2
BDBM50199304 CCC[C@@H]1Cn2c(N1)c1nc(nc1n(CCC)c2=O)C12CCC(O)(CC1)CC2
BDBM50199306 CCCn1c2nc(nc2c2NCCn2c1=O)C12CCC(O)(CC1)CC2
BDBM50254356 CNc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254357 CC(=O)Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50271537 COc1ccc(cc1)-n1nc2c(NC(=O)NCc3ccccc3)nc3ccccc3n2c1=O
BDBM50254305 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1
BDBM50180196 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180197 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50180198 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
BDBM50080542 Cc1ccc(cc1)C(=O)c1c(N)sc2CCCCc12
BDBM50080543 Nc1sc2CCCCc2c1C(=O)c1cccc(Cl)c1
BDBM50080544 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
BDBM50080545 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)cc1
BDBM50080546 Nc1sc2CCCCc2c1C(=O)c1ccc(cc1)C(F)(F)F
BDBM50080547 Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)c(Cl)c1
BDBM50080548 Nc1sc2CCCCc2c1C(=O)c1cccc(c1)C(F)(F)F
BDBM50080549 Nc1sc2CN(Cc3ccc(Cl)c(Cl)c3)CCc2c1C(=O)c1ccc(Cl)cc1
BDBM50080550 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
BDBM50080551 Nc1sc2CCCCc2c1C(=O)c1ccc(Br)cc1
BDBM50104334 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50199307 CCCn1c2nc(nc2c2N[C@H](CC(C)C)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50199308 CCCn1c2nc(nc2c2NC[C@H](C)n2c1=O)C12CCC(O)(CC1)CC2
BDBM50199309 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)c1ccccc1)C12CCC(O)(CC1)CC2
BDBM50108041 CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50196550 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50196551 Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1
BDBM50196552 CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196553 CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50196554 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196555 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196556 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196557 NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196568 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50196569 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1
BDBM50315592 O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315594 CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315597 CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315598 CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50196570 CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196571 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
BDBM50196572 CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50315620 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1
BDBM50315621 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1
BDBM50315622 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315623 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315624 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N)n2n1
BDBM50315625 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50315626 CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315627 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315628 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
BDBM50315629 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1
BDBM50315630 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50315639 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1
BDBM50315640 Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315641 O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1
BDBM50315642 Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50315643 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
BDBM50315644 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
BDBM50315645 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315646 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315647 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50315648 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50315631 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1
BDBM50315632 COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1
BDBM50315633 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
BDBM50315634 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1
BDBM50315635 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315636 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315637 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50315638 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50196537 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50196538 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
BDBM50196539 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccncc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196540 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1
BDBM50196541 CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50268165 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
BDBM50140970 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
BDBM50140971 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C
BDBM50316880 CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316881 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316882 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50316883 CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316903 Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316994 CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50316995 Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316996 Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316997 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316998 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316999 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50317000 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50317001 Nc1nc2-c3cc(CNN4CCCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317002 Nc1nc2-c3cc(CNN4CCC(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317003 Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317004 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317005 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317006 CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50317007 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
BDBM50304630 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
BDBM50304631 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
BDBM50316868 CN1CCCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316869 CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316870 CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316871 CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316872 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1
BDBM50316873 CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316874 CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316875 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
BDBM50316876 CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316992 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50316993 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317011 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1nccs1
BDBM50317012 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1
BDBM50317013 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)cc1
BDBM50317014 COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12
BDBM50317015 COc1ccccc1-c1nc(N)nc2-c3ccccc3C(=O)c12
BDBM50317016 CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50317017 CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50317018 Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317019 CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
BDBM50317020 CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
BDBM50317021 Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317022 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317023 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317024 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
BDBM50304632 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 |r|
BDBM50304633 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|