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2204 SMILES Strings for Metabotropic glutamate receptor

Compound NameSMILES String
BDBM128278 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(Cl)ccn1
BDBM128280 Fc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1
BDBM128281 Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128282 Fc1ccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)nc1
BDBM128285 CN(c1cncnc1)c1cc(F)cc(c1)C(=O)Nc1nc(C)cs1
BDBM128287 CN(c1cncnc1)c1cc(ccc1F)C(=O)Nc1cccc(Cl)n1
BDBM128288 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(ccn1)C(F)(F)F
BDBM128283 Clc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cccc(Cl)n1
BDBM128284 COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128279 Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128286 CN(c1cncnc1)c1cc(Cl)cc(c1)C(=O)Nc1cccc(F)n1
BDBM128289 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1nc(cs1)C(F)(F)F
BDBM128290 Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
BDBM128291 Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br
BDBM4397 Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM23184 Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM44464 CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
BDBM55081 [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM82250 N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|
BDBM82251 N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM82252 N[C@@H](C(O)=O)c1cccc(O)c1 |r|
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86211 NC(Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM86212 NC1(CCC(C1)C(O)=O)C(O)=O
BDBM86213 CCOC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85348 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85349 CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85351 Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85352 N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85353 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85354 N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85355 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85356 N[C@H](CCCC(O)=O)C(O)=O |r|
BDBM86715 Cc1cccc(C=Cc2ccccc2)n1 |w:6.5|
BDBM86716 Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM86717 Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
BDBM107263 Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
BDBM107273 Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107271 Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107262 Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107224 Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107274 Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM107216 Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107258 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1
BDBM107266 Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107244 Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107242 Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
BDBM107261 O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1
BDBM107249 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
BDBM107268 O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
BDBM50003013 CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccccc1 |c:20|
BDBM104712 Clc1cccc(c1)C(=O)Nc1ccnc(Oc2cccnc2)c1
BDBM104713 Clc1cccc(c1)C(=O)Nc1cccc(Oc2cccnc2)n1
BDBM104714 Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ncn1
BDBM104715 Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ccn1
BDBM104716 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)n1
BDBM104717 Clc1cccc(c1)C(=O)Nc1nccc(Oc2cccnc2)n1
BDBM104718 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)c1
BDBM104727 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104728 Cc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104729 O=C(Nc1cncc(Oc2cncnc2)n1)c1cccc(c1)C#N
BDBM104730 Cc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104731 Clc1cccc(c1)C(=O)Nc1cccc(Oc2cncnc2)n1
BDBM104737 FC(F)(F)c1ccc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)cn1
BDBM104758 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104759 O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(c1)C#N
BDBM104764 Brc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104775 COc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104778 Clc1cccc(c1)C(=O)Nc1cc(Oc2cncnc2)ccn1
BDBM104785 CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1
BDBM104792 CN(c1cncnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
BDBM104795 CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
BDBM104797 CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccn1
BDBM107252 O=C(NC1CCC1)c1cc(Oc2cccnc2)ccn1
BDBM107215 O=C(Nc1ccccc1)c1cc(Oc2cccnc2)ccn1
BDBM107217 FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107218 Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1F
BDBM107219 Cn1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107220 Fc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107221 Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107222 Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)nc1
BDBM107223 Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107225 Clc1cc(Cl)cc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107226 Clc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1Cl
BDBM107227 O=C(Nc1nccs1)c1cc(Oc2cccnc2)ccn1
BDBM107228 Cc1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)s1
BDBM107229 Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107230 Clc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
BDBM107231 O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1
BDBM107232 CCc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107233 Cc1nc(NC(=O)c2cc(Oc3cccnc3)ccn2)nn1C
BDBM107234 Cc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
BDBM107235 Cn1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107236 COc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107237 O=C(Nc1ccncn1)c1cc(Oc2cccnc2)ccn1
BDBM107238 Cc1nsc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107239 Cc1nc(NC(=O)c2cncc(Oc3cccnc3)c2)sc1F
BDBM107240 FC(F)(F)c1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
BDBM107241 O=C(Nc1ccccn1)c1cncc(Oc2cccnc2)c1
BDBM107243 O=C(Nc1nc(cs1)C#N)c1cc(Oc2cccnc2)ccn1
BDBM107245 FC(F)(F)c1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107246 O=C(Nc1nccs1)c1cc(Oc2cncnc2)ccn1
BDBM107247 CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nccs1
BDBM107248 CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
BDBM107250 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ncccc1F
BDBM107251 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccc(F)cn1
BDBM107253 O=C(NC1CCCC1)c1cc(Oc2cccnc2)ccn1
BDBM107254 O=C(NC1CCCCC1)c1cc(Oc2cccnc2)ccn1
BDBM107255 O=C(NC1CCCCCC1)c1cc(Oc2cccnc2)ccn1
BDBM107256 O=C(NC1CCOCC1)c1cc(Oc2cccnc2)ccn1
BDBM107257 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccccn1
BDBM107259 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(Cl)n1
BDBM107260 O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2cccnc2)ccn1 |r,wU:4.7,wD:1.0,(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,)|
BDBM107264 Fc1cccnc1NC(=O)c1cc(Oc2cncnc2)ccn1
BDBM107265 Fc1cnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c(F)c1
BDBM107267 Clc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
BDBM107269 O=C(NC1CCOCC1)c1cc(Oc2cncnc2)ccn1
BDBM107270 FCc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107272 Cc1cc(NC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F
BDBM107275 CCc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107276 Clc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107277 Cc1cncc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107278 COc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107279 Cc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107280 FC(F)(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107281 Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C
BDBM107282 O=C(Nc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
BDBM107283 FC(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107284 NC(=O)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107285 Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
BDBM107286 Brc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107287 FCc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
BDBM107288 FC(F)c1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
BDBM107289 COc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107290 FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107291 Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
BDBM109134 Cc1[nH+]c(cs1)C#Cc1cncc(Nc2cccnc2)c1
BDBM109133 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCSCC1
BDBM109172 CC1CCN(CC1)c1ccc(cn1)C#Cc1csc(C)n1
BDBM109173 CN(c1cccnc1)c1cncc(c1)C#Cc1csc(C)[nH+]1
BDBM109174 CCC(C)Sc1ccc(cn1)C#Cc1csc(C)[nH+]1
BDBM109136 Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
BDBM109137 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1ccccc1CO
BDBM109138 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)c(F)c1
BDBM109139 Cc1[nH+]c(cs1)C#Cc1ccc([nH+]c1)-c1ccc(F)cc1
BDBM109140 COc1ccc(C)cc1-c1ccc(cn1)C#Cc1csc(C)n1
BDBM109141 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(ccc1F)C#N
BDBM109142 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)c(C)c1
BDBM109143 CN(c1ccccn1)c1ccc(cn1)C#Cc1csc(C)[nH+]1
BDBM109144 COc1cccc(-c2ccc(cn2)C#Cc2csc(C)n2)c1F
BDBM109145 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1
BDBM109146 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1C2CCC1CC2
BDBM109147 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1F
BDBM109148 CCc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
BDBM109149 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(CO)c1
BDBM109150 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCCCC1
BDBM109151 CC1CCC(C)N1c1ccc(cn1)C#Cc1csc(C)[nH+]1
BDBM109135 Cc1nc(cs1)C#Cc1ccc(NC2CCC2)[nH+]c1
BDBM109175 Cc1nc(cs1)C#Cc1c[nH+]cc(c1)-c1ccccc1CO
BDBM109176 Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(c1)C#N
BDBM109177 CCCN(C)c1ccc(cn1)C#Cc1csc(C)n1
BDBM109153 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(Cl)c1C
BDBM109154 Cc1[nH+]c(cs1)C#Cc1ccc(nc1)N1CCCC(F)C1
BDBM109179 Cc1nc(cs1)C#Cc1ccc(nc1)N1CCC(F)CC1
BDBM109180 CCOc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109181 Cc1nc(cs1)C#Cc1cncc(Cl)c1
BDBM109182 Cc1[nH+]c(cs1)C#Cc1cncc(Oc2cccnc2)c1
BDBM109183 Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCC(CO)C1
BDBM109184 Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCCCCC1
BDBM109156 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1C
BDBM109157 CSc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109158 Cc1[nH+]c(cs1)C#Cc1c[nH+]cc(c1)-c1ccc(CO)cc1
BDBM109160 Cc1nc(cs1)C#Cc1cncc(CCc2ccccc2)c1
BDBM109185 CCC(C)Nc1ncc(cn1)C#Cc1csc(C)[nH+]1
BDBM109186 C[C@H](Oc1ncc(cn1)C#Cc1csc(C)[nH+]1)c1ccccc1 |r|
BDBM109187 CC1CCCCN1c1ncc(cn1)C#Cc1csc(C)[nH+]1
BDBM109188 Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCCC1
BDBM109189 CCN(CC)c1ncc(cn1)C#Cc1csc(C)n1
BDBM109190 Cc1nc(cs1)C#Cc1cnc(nc1)-[n+]1ccc2cc[nH]cc12
BDBM109191 Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCSCC1
BDBM109192 Cc1nc(cs1)C#Cc1cnc(OC2CCN(CC2)C(=O)OC(C)(C)C)nc1
BDBM109193 Cc1[nH+]c(cs1)C#Cc1cnc(NC2CCCC2)nc1
BDBM109194 CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)[nH+]1
BDBM109195 Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CC=CC1 |c:18|
BDBM109197 Cc1[nH+]c(cs1)C#Cc1cnc(nc1)-c1ccccc1F
BDBM109198 Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCCC1CO
BDBM109112 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCCC1
BDBM109113 CC1CCCN1c1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109114 CC1CCCN1c1ncc(cn1)C#Cc1csc(C)n1
BDBM109115 Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
BDBM109163 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(c1)C#N
BDBM109164 COCc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109152 CCC(C)(C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109117 Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCCC1
BDBM109118 CC(C)Oc1ncc(cn1)C#Cc1csc(C)n1
BDBM109119 CC(C)Oc1ccc(cn1)C#Cc1csc(C)n1
BDBM109155 CC[C@H](C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1 |r|
BDBM109120 Cc1nc(cs1)C#Cc1ccc(OC(C)(C)C)nc1
BDBM109121 Cc1nc(cs1)C#Cc1ccc(SC(C)(C)C)nc1
BDBM109122 Cc1nc(cs1)C#Cc1cnc(SC(C)(C)C)nc1
BDBM109159 CCC(CC)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1
BDBM109095 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(F)cc(c1)C#N
BDBM109096 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1F
BDBM109097 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(F)c1
BDBM109098 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C#N
BDBM109099 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C
BDBM109100 COc1ccc(F)cc1-c1ccc(cn1)C#Cc1csc(C)n1
BDBM109101 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl
BDBM109102 COc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
BDBM109105 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(F)ccc1C
BDBM109106 Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C
BDBM109107 CSc1ccccc1-c1ncc(cn1)C#Cc1csc(C)n1
BDBM109108 Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1Cl
BDBM109109 Cc1nc(cs1)C#Cc1cnc(nc1)-c1cccc(C)c1C
BDBM109110 Cc1nc(cs1)C#Cc1ccc(nc1)-n1ccc2cccnc12
BDBM109111 Cc1nc(cs1)C#Cc1ccc(nc1)-n1ccc2ccncc12
BDBM109123 Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CCCCC1
BDBM109124 Cc1nc(cs1)C#Cc1ccc(nc1)C(C)(C)C
BDBM109125 Cc1nc(cs1)C#Cc1cnc(nc1)C1CCCCC1
BDBM109166 Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CC2CCC1C2 |THB:11:14:17.18:20|
BDBM109167 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CC2CCC1C2 |THB:11:14:17.18:20|
BDBM109161 CC[C@@H](C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1 |r|
BDBM109162 Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCC1
BDBM109165 Cc1nc(cs1)C#Cc1ccc(NC(C)(C)C)[nH+]c1
BDBM109116 CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)n1
BDBM109168 Cc1nc(cs1)C#Cc1ccc(nc1)C1CCCC1
BDBM109126 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1F
BDBM109127 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(C)cc(c1)C#N
BDBM109128 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc2ncccc12
BDBM109129 Cc1nc(cs1)C#Cc1ccc(nc1)-c1c(C)cccc1C
BDBM109130 COc1ccc(cc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1)C#N
BDBM109131 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1C
BDBM109132 Cc1nc(cs1)C#Cc1ccc([nH+]c1)-n1ccc2ccccc12
BDBM109169 Cc1[nH+]c(cs1)C#Cc1c[nH+]cc(c1)C1CC1
BDBM109170 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(c1)C(F)(F)F
BDBM109171 Cc1[nH+]c(cs1)C#Cc1ccc(Oc2ccccc2)nc1
BDBM50002371 NC(CCC(O)=O)C(O)=O
BDBM50004852 Cc1o[nH]c(=O)c1C(N)C(O)=O
BDBM50004881 NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50007548 N[C@@H](CCP(O)(O)=O)C(O)=O |r|
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50030627 CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030628 NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50030629 NC(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030630 NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
BDBM50034501 N[C@H](C(O)=O)c1cc(=O)[nH]o1
BDBM50034503 N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
BDBM50034504 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50053585 N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50053586 N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
BDBM50053588 N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM50053589 N[C@H](C(O)=O)c1cccc(O)c1
BDBM50052256 N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052398 N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
BDBM50052551 Cc1o[nH]c(=O)c1CCC(N)C(O)=O
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50056272 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50060137 N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50058672 COc1ccc2[nH]c3c(CCNC3=O)c2c1
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50060718 Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
BDBM50060719 Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
BDBM50070575 CNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50070576 OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1
BDBM50070577 CCNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50071161 N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50076391 NC1(C2CCC1C(C2)C(O)=O)C(O)=O |TLB:0:1:6.7:4.3,THB:11:1:6.7:4.3,8:6:1:4.3|
BDBM50076394 NC1(CC2CCC1C2C(O)=O)C(O)=O |TLB:0:1:7:5.4,THB:11:1:7:5.4,8:7:1.2:5.4|
BDBM50076395 N[C@@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50079183 N[C@H](C(O)=O)c1cc(O)cc(O)c1
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50084141 Cc1cccc(\C=C\c2ccccc2)n1
BDBM50088230 CCC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50090686 Cc1ccc2ccc(nc2n1)-c1ccccc1
BDBM50089896 Cc1cc(ccc1C(N)C(O)=O)C(O)=O
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50094186 CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2
BDBM50098248 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
BDBM50097114 Clc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
BDBM50100941 [NH3+][C@@H](C[C@@H](O)C(O)=O)C([O-])=O
BDBM50100942 [NH3+][C@@H](C[C@H](O)C(O)=O)C([O-])=O
BDBM50102122 Nc1ccc(CN2C[C@](N)(C[C@@H]2C(O)=O)C(O)=O)cc1
BDBM50102123 N[C@@]1(C[C@@H](N(Cc2ccccc2Br)C1)C(O)=O)C(O)=O
BDBM50102128 N[C@@]1(C[C@@H](N(CC(O)=O)C1)C(O)=O)C(O)=O
BDBM50102111 CC(N)(C1CC1C(O)=O)C(O)=O
BDBM50102112 COc1ccc(CN2C[C@](N)(C[C@@H]2C(O)=O)C(O)=O)cc1
BDBM50102116 N[C@@]1(C[C@@H](N(Cc2ccccc2[N+]([O-])=O)C1)C(O)=O)C(O)=O
BDBM50102117 N[C@@]1(C[C@@H](N(Cc2ccc(cc2)[N+]([O-])=O)C1)C(O)=O)C(O)=O
BDBM50102118 N[C@@]1(C[C@@H](N(Cc2ccccc2C(O)=O)C1)C(O)=O)C(O)=O
BDBM50102113 N[C@@]1(C[C@@H](N(Cc2ccccn2)C1)C(O)=O)C(O)=O
BDBM50102114 N[C@@]1(C[C@@H](N(Cc2ccc(O)cc2)C1)C(O)=O)C(O)=O
BDBM50102115 Nc1ccccc1CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50102121 N[C@@]1(C[C@@H](N(C1)C(C(O)=O)c1ccccc1)C(O)=O)C(O)=O
BDBM50102119 N[C@@]1(C[C@@H](N(Cc2cccc(O)c2)C1)C(O)=O)C(O)=O
BDBM50102120 N[C@@]1(C[C@@H](N(Cc2ccccc2O)C1)C(O)=O)C(O)=O
BDBM50102124 N[C@@]1(C[C@@H](N(Cc2ccc(cc2)C(O)=O)C1)C(O)=O)C(O)=O
BDBM50102125 N[C@@]1(C[C@@H](N(Cc2cccc(c2)[N+]([O-])=O)C1)C(O)=O)C(O)=O
BDBM50102127 N[C@@]1(C[C@@H](N(Cc2ccccc2C#Cc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50109652 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
BDBM50109653 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
BDBM50109654 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
BDBM50109655 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
BDBM50109656 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
BDBM50109657 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
BDBM50109658 N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
BDBM50118479 N[C@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118480 N[C@@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118481 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50123005 COc1cccc(c1)C#Cc1cccc(C)n1
BDBM50123009 Cc1nc(cs1)C#Cc1cncc(C)c1
BDBM50122757 Cc1nc(cs1)C#Cc1ccccn1
BDBM50122758 Cc1nc(cs1)C#Cc1cccnc1
BDBM50122759 Cc1nc(cs1)C#Cc1ccccc1
BDBM50122760 c1csc(n1)C#Cc1ccccc1
BDBM50122761 c1nc(cs1)C#Cc1ccccc1
BDBM50122762 Cc1csc(n1)C#Cc1ccccc1
BDBM50122763 Cc1nc(cs1)C#Cc1ccncc1
BDBM50130515 N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50130516 N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50129227 CCCOC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
BDBM50129228 CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO
BDBM50129229 CCCOC(=O)c1[nH]c(C(=O)NCC2CC2)c(C(=O)OC(C)(C)C)c1C
BDBM50129230 CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C
BDBM50129226 Cc1c(c[nH]c1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM50129232 CCCOC(=O)c1[nH]c(C(=O)OC)c(C(=O)OC(C)(C)C)c1C
BDBM50129233 Cc1c(c[nH]c1C(=O)OCc1ccco1)C(=O)OC(C)(C)C
BDBM50129234 CCCOC(=O)c1[nH]c(CO)c(C(=O)OC(C)(C)C)c1C
BDBM50129235 CC(OC(=O)c1c[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1C)C(C)(C)C
BDBM50129236 CCCOC(=O)c1[nH]c(C(=O)Sc2ccccn2)c(C(=O)OC(C)(C)C)c1C
BDBM50129231 CCCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
BDBM50129238 Cc1c(c[nH]c1C(=O)Sc1ccccn1)C(=O)OC(C)(C)C
BDBM50129239 CC(CN(C)C)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
BDBM50129240 CCN1CCC(C1)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
BDBM50129237 Cc1c(c[nH]c1C(=O)OCC1CC1)C(=O)OC(C)(C)C
BDBM50129241 CCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
BDBM50129242 CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C(=O)OC(C)(C)C
BDBM50129243 CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)OCC=C
BDBM50129244 CC(OC(=O)c1c[nH]c(C(=O)Oc2cccnc2)c1C)C(C)(C)C
BDBM50129245 CCCOC(=O)c1[nH]c(C)c(C(=O)OC(C)C(C)(C)C)c1C
BDBM50129246 CC(OC(=O)c1c[nH]c(C(=O)OC(C)(C)C)c1C)C(C)(C)C
BDBM50129222 CC(OC(=O)c1c[nH]c(C(=O)Oc2ccncn2)c1C)C(C)(C)C
BDBM50129223 CCCOC(=O)c1[nH]c(COC(C)=O)c(C(=O)OC(C)(C)C)c1C
BDBM50129224 CCCOC(=O)c1[nH]c(Cl)c(C(=O)OC(C)C(C)(C)C)c1C
BDBM50129225 CCCOC(=O)c1[nH]c(C=O)c(C(=O)OC(C)(C)C)c1C
BDBM50132104 COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
BDBM50136493 CC1=NCCc2c1[nH]c1ccccc21 |t:1|
BDBM50138781 C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
BDBM50138782 N[C@@H]([C@H]1[C@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
BDBM50138783 N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
BDBM50138784 N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
BDBM50138786 N[C@@H]([C@H]1[C@@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
BDBM50151435 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50132507 CC(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50149792 Cc1nc(cs1)C#Cc1cncc(c1)-c1cccnc1
BDBM50149793 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccc1
BDBM50149794 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccn1
BDBM50149795 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccncc1
BDBM50149796 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccn1
BDBM50149797 Cc1nc(cs1)C#Cc1ccccc1C
BDBM50149798 Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
BDBM50149799 Cc1nc(cs1)C#Cc1ccc(cc1)-c1ccccc1
BDBM50149800 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccncc1
BDBM50149801 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
BDBM50149802 Cc1nc(cs1)C#Cc1cccc(C)c1
BDBM50149803 Cc1nc(cs1)C#Cc1ccc(C)cc1
BDBM50149804 Cc1nc(cs1)C#Cc1ccccc1-c1ccccc1
BDBM50149805 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
BDBM50151895 N#Cc1cccc(c1)-n1ccc(n1)-c1ccccn1
BDBM50151896 N#Cc1cccc(c1)-c1ncn(n1)-c1ccccn1
BDBM50151897 N#Cc1cccc(c1)-n1ccc(c1)-c1ccccn1
BDBM50151898 N#Cc1cccc(c1)-n1cnc(n1)-c1ccccn1
BDBM50151899 N#Cc1cccc(c1)-c1ccn(c1)-c1ccccn1
BDBM50151900 N#Cc1cccc(c1)-n1cnc(c1)-c1ccccn1
BDBM50151901 N#Cc1cccc(c1)-n1cc(cn1)-c1ccccn1
BDBM50151902 N#Cc1cccc(c1)-c1ccn(n1)-c1ccccn1
BDBM50151903 N#Cc1cccc(c1)-n1cc(nn1)-c1ccccn1
BDBM50151904 N#Cc1cccc(c1)-c1cnn(n1)-c1ccccn1
BDBM50151905 N#Cc1cccc(c1)-n1ncc(n1)-c1ccccn1
BDBM50151906 N#Cc1cccc(c1)-c1nnn(n1)-c1ccccn1
BDBM50151907 N#Cc1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50151908 N#Cc1cccc(c1)-c1cn(cn1)-c1ccccn1
BDBM50151909 N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50151910 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50151911 N#Cc1cccc(c1)-c1cn(nn1)-c1ccccn1
BDBM50151912 N#Cc1cccc(c1)-c1cnn(c1)-c1ccccn1
BDBM50156077 Clc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156078 Fc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156079 Oc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156080 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccsc1
BDBM50156082 Brc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50156062 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cnccn1
BDBM50156063 Clc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156064 Fc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156065 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50156066 Cc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156067 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccs1
BDBM50156068 FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156069 Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156070 Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50156071 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
BDBM50156073 Fc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156075 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccn1
BDBM50156076 Fc1ccc(cc1F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50154999 Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
BDBM50155001 N#Cc1cccc(c1)-n1nnc(n1)-c1c[nH]cn1
BDBM50155002 N#Cc1cccc(c1)-n1nnc(n1)-c1cscn1
BDBM50155003 N#Cc1cccc(c1)-n1nnc(n1)-c1nccs1
BDBM50155004 N#Cc1cccc(c1)-n1nnc(n1)-c1cc[nH]n1
BDBM50154970 Fc1cc(Cc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154971 Fc1cc(Sc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154972 Fc1cc(Nc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154973 CN(c1cccnc1)c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154974 Fc1cc(cc(c1)-n1ccc2ccncc12)-n1nnc(n1)-c1ccccn1
BDBM50154975 O(c1ccccc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154976 O(c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccn1
BDBM50154977 Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154978 O(c1cccnc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154979 O(c1ccc(cc1)-n1nnc(n1)-c1ccccn1)c1cccnc1
BDBM50154981 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccnc1
BDBM50154982 Cc1cncc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154983 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccn1
BDBM50154984 Cc1ncccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154985 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccc(c1)C#N
BDBM50154986 Cc1cnccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154987 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1C#N
BDBM50154988 Nc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154989 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
BDBM50154990 Nc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154991 Cc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154992 Cc1ccc(cn1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154993 Cc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154994 Cc1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154995 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccncc1
BDBM50154996 Nc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154997 Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154998 Cc1ccc(cc1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155005 Cc1c[nH]c(n1)-c1nnn(n1)-c1cc(F)cc(c1)C#N
BDBM50155007 N#Cc1cccc(c1)-n1nnc(n1)-c1ncc[nH]1
BDBM50155000 Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ncc[nH]1
BDBM50155006 Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ncc[nH]1
BDBM50155012 c1ccc(nc1)-c1nnn(n1)-c1cccc(c1)-c1cccnc1
BDBM50160627 Cc1cccc(n1)C#Cc1cncc(c1)-c1ccco1
BDBM50160628 Cc1cccc(n1)C#Cc1cccc(OC(=O)CCCc2ccccc2)c1
BDBM50160629 Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C#Cc1cccc(C)n1
BDBM50160630 COc1cccc(c1)-c1cccc(c1)C#Cc1cccc(C)n1
BDBM50160631 COc1cccc(c1)-c1cncc(c1)C#Cc1cccc(C)n1
BDBM50160632 Cc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50160633 Cc1cccc(n1)C#Cc1cncc(c1)-c1ccccc1
BDBM50160634 CC(=O)c1cccc(c1)C#Cc1cccc(C)n1
BDBM50160635 Cc1cccc(n1)C#Cc1cccc(OS(C)(=O)=O)c1
BDBM50160636 Cc1cccc(n1)C#Cc1cccc(OCc2ccccc2)c1
BDBM50160637 Cc1cccc(n1)C#Cc1cccc(OCCCCc2ccccc2)c1
BDBM50160638 Cc1cccc(n1)C#Cc1cccc(OC(=O)c2ccccc2)c1
BDBM50160620 Cc1cccc(n1)C#Cc1cccc(OC(=O)c2cccc(I)c2)c1
BDBM50160639 COC(=O)c1cccc(c1)C#Cc1cccc(C)n1
BDBM50160640 Cc1cccc(n1)C#Cc1cccc(c1)-c1ccco1
BDBM50160641 Cc1cccc(n1)C#Cc1cccc(OCC2CC2)c1
BDBM50160642 Cc1cccc(n1)C#Cc1cccc(OC(=O)CCCBr)c1
BDBM50160643 Cc1cccc(n1)C#Cc1cccc(OC(=O)Cc2ccccc2)c1
BDBM50160644 COc1cccc(c1)C(=O)Oc1cccc(c1)C#Cc1cccc(C)n1
BDBM50160645 COc1cccc(COc2cccc(c2)C#Cc2cccc(C)n2)c1
BDBM50160646 Cc1cccc(n1)C#Cc1cccc(OCCc2ccc(F)cc2)c1
BDBM50160647 Cc1cccc(n1)C#Cc1cccc(OCc2cccc(I)c2)c1
BDBM50160648 Cc1cccc(n1)C#Cc1cccc(N)c1
BDBM50160649 Cc1cccc(n1)C#Cc1cccc(OC(=O)CCc2ccccc2)c1
BDBM50160650 Cc1cccc(n1)C#Cc1cccc(OCC=C)c1
BDBM50160651 Cc1cccc(n1)C#Cc1cccc(OCCc2ccccc2)c1
BDBM50160621 Cc1cccc(n1)C#Cc1cccc(c1)-c1ccccc1
BDBM50160652 COC(=O)COc1cccc(c1)C#Cc1cccc(C)n1
BDBM50160653 Cc1cccc(n1)C#Cc1cccc(OC(=O)c2ccco2)c1
BDBM50160622 Cc1cccc(n1)C#Cc1cccc(c1)-c1cccs1
BDBM50160623 Cc1cccc(n1)C#Cc1cncc(c1)-c1cccs1
BDBM50160624 Cc1cccc(n1)C#Cc1cncc(c1)-c1cccc(C)n1
BDBM50160625 Cc1cccc(n1)C#Cc1cccc(c1)[N+]([O-])=O
BDBM50160626 Cc1cccc(n1)C#Cc1cccc(OCCCc2ccccc2)c1
BDBM50163584 CCc1cc2cc(ccc2nc1I)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
BDBM50163585 CCc1cc2cc(ccc2nc1C)C(=O)CCc1ccccc1
BDBM50163586 CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
BDBM50163587 CCc1cc2cc(ccc2nc1C)C(=O)C1Cc2ccccc2C1
BDBM50163588 CCc1cc2cc(ccc2nc1C)C(=O)C1CCNCC1
BDBM50163589 CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(8.94,-1.38,;7.59,-.61,;6.26,-1.41,;4.92,-.66,;4.91,.9,;3.55,1.65,;2.24,.86,;.89,1.61,;-.41,.83,;-.41,-.71,;.92,-1.48,;2.25,-.68,;3.6,-1.45,;-1.74,1.58,;-1.77,3.12,;-3.07,.81,;-4.43,1.58,;-5.73,.81,;-5.73,-.73,;-4.43,-1.5,;-3.07,-.73,;-7.06,-1.5,;-8.4,-.73,)|
BDBM50163590 CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
BDBM50163591 CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccc(OC)c(OC)c1
BDBM50163592 CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
BDBM50163593 CCc1cc2cc(ccc2nc1-c1cccs1)C(=O)C1CCC(CC1)OC |(6.54,1.02,;5.19,1.79,;3.86,1.02,;2.53,1.77,;1.2,1,;-.12,1.77,;-1.46,1,;-1.46,-.54,;-.12,-1.31,;1.2,-.54,;2.53,-1.31,;3.88,-.54,;5.23,-1.31,;5.37,-2.83,;6.89,-3.15,;7.65,-1.83,;6.61,-.68,;-2.78,1.79,;-2.77,3.33,;-4.11,1.02,;-5.45,1.79,;-6.77,1.02,;-6.77,-.52,;-5.45,-1.29,;-4.11,-.52,;-8.11,-1.29,;-9.44,-.52,)|
BDBM50163594 CCc1cc2cc(ccc2nc1OC)C(N=N)[C@@H]1CC[C@@H](CC1)OC |wU:17.18,20.25,(6.21,2.84,;6.19,1.3,;4.86,.53,;3.51,1.3,;2.18,.53,;.85,1.3,;-.48,.53,;-.48,-1.01,;.85,-1.78,;2.18,-1.01,;3.51,-1.78,;4.86,-1.01,;6.19,-1.8,;6.19,-3.34,;-1.84,1.3,;-1.84,2.84,;-.51,3.61,;-3.17,.53,;-4.48,1.3,;-5.85,.53,;-5.85,-1.01,;-4.48,-1.78,;-3.17,-1.01,;-7.18,-1.8,;-8.53,-1.01,)|
BDBM50163597 CCc1cc2cc(ccc2nc1NCCOC)C(=O)C1CCC(CC1)OC |(6.25,.83,;4.92,1.61,;3.58,.83,;2.26,1.6,;.93,.83,;-.4,1.6,;-1.73,.83,;-1.74,-.71,;-.41,-1.49,;.93,-.71,;2.26,-1.49,;3.58,-.71,;4.93,-1.49,;6.26,-.71,;7.61,-1.47,;8.94,-.71,;10.27,-1.47,;-3.07,1.61,;-3.07,3.14,;-4.4,.83,;-5.73,1.61,;-7.06,.83,;-7.06,-.71,;-5.73,-1.47,;-4.4,-.71,;-8.39,-1.47,;-9.72,-.71,)|
BDBM50163598 CCc1cc2cc(ccc2nc1C)C(=O)C[C@H]1CC[C@H](CC1)OC |wU:16.17,19.24,(8.29,-.31,;6.93,.46,;5.6,-.31,;4.26,.44,;2.93,-.34,;1.6,.44,;.27,-.34,;.27,-1.88,;1.6,-2.65,;2.93,-1.88,;4.29,-2.65,;5.62,-1.88,;6.95,-2.63,;-1.07,.44,;-1.07,1.98,;-2.4,-.34,;-3.73,.44,;-5.09,-.34,;-6.42,.44,;-6.42,1.98,;-5.09,2.66,;-3.76,1.98,;-7.73,2.8,;-8.83,1.7,)|
BDBM50163599 CCc1cc2cc(ccc2nc1C)C(=O)C1CC2CCC1C2
BDBM50163600 CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(O)CC1 |(7.34,.62,;5.99,1.39,;4.66,.62,;3.33,1.37,;2,.6,;.66,1.37,;-.67,.6,;-.67,-.94,;.66,-1.71,;2,-.94,;3.34,-1.71,;4.68,-.94,;6.02,-1.69,;-2,1.37,;-2,2.91,;-3.34,.6,;-4.68,1.37,;-6.01,.6,;-6.02,-.94,;-7.36,-1.69,;-4.68,-1.71,;-3.34,-.94,)|
BDBM50163601 CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2O1
BDBM50163602 CCc1cc2cc(ccc2nc1OC)C(N=O)[C@@H]1CC[C@@H](CC1)OC |wU:17.18,20.25,(6.21,2.84,;6.19,1.3,;4.86,.53,;3.51,1.3,;2.18,.53,;.85,1.3,;-.48,.53,;-.48,-1.01,;.85,-1.78,;2.18,-1.01,;3.51,-1.78,;4.86,-1.01,;6.19,-1.8,;6.19,-3.34,;-1.84,1.3,;-1.84,2.84,;-.51,3.61,;-3.17,.53,;-4.48,1.3,;-5.85,.53,;-5.85,-1.01,;-4.48,-1.78,;-3.17,-1.01,;-7.18,-1.8,;-8.53,-1.01,)|
BDBM50163604 CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
BDBM50163605 O=C(CCc1ccccc1)c1ccc2nc3OCCCc3cc2c1
BDBM50163606 O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
BDBM50163607 CCc1cnc2ccc(cc2c1)C(=O)C1CCC(CC1)OC |(8,.58,;6.65,1.35,;5.33,.56,;5.34,-.98,;3.98,-1.75,;2.65,-.98,;1.32,-1.75,;-.02,-.98,;,.56,;1.33,1.33,;2.65,.56,;3.98,1.33,;-1.35,1.33,;-1.32,2.88,;-2.68,.56,;-2.68,-.98,;-4.01,-1.74,;-5.33,-.98,;-5.33,.56,;-4.01,1.35,;-6.68,-1.75,;-8.01,-.98,)|
BDBM50163609 CCCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:16.17,19.24,(8.65,1.46,;7.33,.67,;5.99,1.42,;4.66,.65,;3.3,1.39,;1.98,.6,;.64,1.35,;-.67,.56,;-.67,-.97,;.66,-1.74,;1.99,-.94,;3.35,-1.71,;4.67,-.92,;6.01,-1.68,;-2.01,1.31,;-2.02,2.85,;-3.33,.55,;-4.69,1.31,;-5.99,.55,;-5.99,-1,;-4.69,-1.76,;-3.33,-1,;-7.33,-1.76,;-8.68,-1,)|
BDBM50163610 CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:17.19,20.26,(7.33,1,;5.98,1.74,;4.65,.97,;3.3,1.72,;1.98,.93,;.64,1.68,;-.67,.9,;-.67,-.64,;.66,-1.41,;1.99,-.61,;3.34,-1.38,;3.69,-2.88,;5.23,-3.02,;5.83,-1.59,;4.67,-.59,;-2.01,1.65,;-2.02,3.19,;-3.34,.88,;-4.68,1.65,;-5.99,.88,;-5.99,-.66,;-4.68,-1.43,;-3.34,-.66,;-7.33,-1.43,;-8.67,-.66,)|
BDBM50163611 O=C(Cc1ccsc1)c1ccc2nc3OCCCc3cc2c1
BDBM50163612 O=C(Cc1ccccc1)c1ccc2cc3CCCOc3nc2c1
BDBM50163613 CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1 |wU:5.8,2.1,(-8.28,-.89,;-6.95,-1.66,;-5.62,-.89,;-5.62,.65,;-4.31,1.42,;-2.96,.65,;-2.96,-.89,;-4.31,-1.66,;-1.63,1.42,;-1.65,2.96,;-.3,.67,;-.3,-.87,;1.03,-1.64,;2.36,-.85,;3.72,-1.62,;5.05,-.82,;6.52,-1.29,;7.43,-.03,;6.49,1.23,;5.02,.74,;3.67,1.49,;2.36,.69,;1.01,1.44,)|
BDBM50163614 CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1 |wU:5.8,2.1,(-8.93,-.94,;-7.6,-1.71,;-6.27,-.94,;-6.27,.6,;-4.96,1.37,;-3.61,.6,;-3.61,-.94,;-4.96,-1.71,;-2.28,1.37,;-2.29,2.91,;-.93,.62,;-.93,-.92,;.38,-1.69,;1.71,-.89,;3.06,-1.66,;4.39,-.87,;5.74,-1.62,;7.23,-1.22,;7.99,.13,;7.01,1.79,;5.47,1.79,;4.37,.69,;3.02,1.44,;1.71,.65,;.37,1.39,)|
BDBM50163615 CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3N(C)CCCc3cc2c1 |wU:5.8,2.1,(-8.84,-.78,;-7.51,-1.55,;-6.18,-.78,;-6.18,.76,;-4.85,1.53,;-3.52,.76,;-3.52,-.78,;-4.85,-1.55,;-2.19,1.53,;-2.22,3.07,;-.86,.79,;-.86,-.75,;.47,-1.52,;1.8,-.73,;3.15,-1.49,;4.48,-.7,;5.82,-1.45,;5.83,-2.99,;7.15,-.66,;7.12,.88,;5.79,1.65,;4.44,.84,;3.11,1.61,;1.8,.82,;.45,1.58,)|
BDBM50163616 CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
BDBM50163617 CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3SCCc3cc2c1 |wU:5.8,2.1,(-8.35,-.82,;-7.02,-1.59,;-5.67,-.82,;-5.67,.72,;-4.36,1.49,;-3.03,.72,;-3.03,-.82,;-4.36,-1.59,;-1.68,1.49,;-1.7,3.03,;-.34,.74,;-.34,-.82,;.98,-1.57,;2.31,-.78,;3.66,-1.56,;4.98,-.75,;6.32,-1.5,;7.65,-.71,;7.65,.83,;4.97,.79,;3.62,1.54,;2.31,.75,;.96,1.51,)|
BDBM50163619 CCc1cc2cc(ccc2nc1-c1[nH+]ccs1)C(=O)C1CCC(CC1)OC |(6.55,1.04,;5.22,1.79,;3.87,1.02,;2.55,1.79,;1.21,1.02,;-.12,1.79,;-1.46,1.02,;-1.46,-.52,;-.13,-1.31,;1.21,-.52,;2.55,-1.31,;3.87,-.52,;5.24,-1.31,;5.4,-2.85,;6.92,-3.17,;7.67,-1.82,;6.65,-.68,;-2.79,1.79,;-2.77,3.35,;-4.14,1.02,;-5.47,1.79,;-6.79,1.02,;-6.79,-.52,;-5.47,-1.3,;-4.14,-.52,;-8.13,-1.3,;-9.47,-.52,)|
BDBM50163620 CCc1cc2cc(ccc2[nH]c1=O)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-2.97,-.9,;-4.3,-1.67,;-5.63,-.9,;-5.63,.65,;-4.3,1.42,;-6.97,-1.67,;-8.3,-.9,)|
BDBM50163621 CCc1cc2cc(ccc2nc1C)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,THB:20:21:16:24.19.18|
BDBM50163622 CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccc(cc1)N(C)C
BDBM50163624 CCc1cc2cc(ccc2nc1C)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
BDBM50163626 CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2C1
BDBM50163627 CCc1cc2cc(ccc2nc1C)C(=O)Cc1cccc(OC)c1
BDBM50163628 CCc1cc2cc(ccc2nc1OC)C(=C)[C@@H]1CC[C@@H](CC1)OC |wU:16.17,19.24,(6.17,2.98,;6.17,1.46,;4.82,.69,;3.5,1.46,;2.16,.69,;.84,1.46,;-.5,.69,;-.5,-.85,;.84,-1.61,;2.16,-.85,;3.5,-1.61,;4.82,-.85,;6.17,-1.64,;6.15,-3.17,;-1.84,1.46,;-1.85,2.98,;-3.17,.69,;-4.51,1.46,;-5.84,.69,;-5.84,-.87,;-4.49,-1.64,;-3.17,-.87,;-7.19,-1.64,;-8.54,-.87,)|
BDBM50163625 CCc1cc2cc(ccc2nc1C)C(=O)CC(C)C
BDBM50171313 CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)|
BDBM50174206 COc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174207 N#Cc1cc(OCc2ccccc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50174208 Nc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174209 Clc1ccc(cc1-n1nnc(n1)-c1ccccn1)C#N
BDBM50174210 N#Cc1cc(OCC2CC2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50174211 Clc1ccc(cc1C#N)-n1nnc(n1)-c1ccccn1
BDBM50174212 N#Cc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174213 Fc1cc(cc(c1)-n1ccc(c1)-c1ccccn1)C#N
BDBM50174214 Clc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174215 [O-][N+](=O)c1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174216 Clc1cccc(c1Cl)-n1nnc(n1)-c1ccccn1
BDBM50174217 Cc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50174218 N#Cc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50174219 Oc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50172117 C1CCC(=CC1)C#Cc1ccccn1 |c:3|
BDBM50172118 Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172119 Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172120 C1CCC(CC1)C#Cc1ccccn1
BDBM50172121 C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172122 O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13|
BDBM50172123 Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11|
BDBM50172124 C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1 |c:16|
BDBM50172125 C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1 |c:2|
BDBM50172126 Cc1cccc(c1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172127 C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2|
BDBM50172128 C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1 |c:10|
BDBM50172129 CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10|
BDBM50172130 C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172131 C1CC(Oc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172132 C1CC=C(C1)C#Cc1ccccn1 |c:2|
BDBM50172134 C1CC(=CCN1)C#Cc1ccccn1 |c:2|
BDBM50172135 O=S(=O)(Cc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172136 O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172137 C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50175072 N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50175073 N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
BDBM50174515 N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50174516 NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|
BDBM50174517 NC(CC1CC(=NO1)C(O)=O)C(O)=O |c:5|
BDBM50174519 N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50179644 Cc1cccc(NC(=O)Nc2nc(O)c(-c3ccccc3)n2C)c1
BDBM50179646 CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50178684 CC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50177102 CCCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177101 CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
BDBM50177051 C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
BDBM50177053 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177054 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
BDBM50177055 CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177056 CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177057 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
BDBM50177058 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N4CCC4)c23)c1=O
BDBM50177059 CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
BDBM50177060 CN(C)c1ccnc2sc3c(ncn(C4CCC4)c3=O)c12
BDBM50177061 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50177063 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50177064 CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
BDBM50177065 CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
BDBM50177066 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12
BDBM50177067 CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
BDBM50177068 CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
BDBM50177069 CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
BDBM50177070 CN(C)c1ccnc2sc3c(ncn(C4CCCCC4)c3=O)c12
BDBM50177071 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
BDBM50177072 CC1CCC(CC1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O |(5.87,-19.78,;4.34,-19.93,;3.7,-21.33,;2.18,-21.48,;1.29,-20.23,;1.91,-18.82,;3.44,-18.68,;-.24,-20.38,;-1.15,-19.13,;-2.7,-19.28,;-3.32,-20.7,;-2.41,-21.95,;-3.32,-23.19,;-4.79,-22.72,;-6.12,-23.49,;-7.45,-22.72,;-7.45,-21.18,;-6.12,-20.41,;-6.13,-18.87,;-4.8,-18.1,;-7.46,-18.11,;-4.79,-21.17,;-.88,-21.79,;.02,-23.04,)|
BDBM50177073 CCCCc1nc2c(sc3nccc(N(C)C)c23)c(=O)n1-c1ccc(CC)cc1
BDBM50177074 CCN(C)c1ccnc2sc3c(ncn(-c4ccc(CC)cc4)c3=O)c12
BDBM50177075 CN(C)c1ccnc2sc3c(ncn(CC4CCCCC4)c3=O)c12
BDBM50177076 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50177077 CCC(CC)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177078 CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
BDBM50177079 CN(C)c1ccnc2sc3c(ncn(-c4ccccc4)c3=O)c12
BDBM50177080 CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
BDBM50177081 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
BDBM50177082 CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
BDBM50177083 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
BDBM50177084 COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177085 CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
BDBM50177086 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
BDBM50177091 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
BDBM50177092 CC(C)c1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177093 CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177094 CC1CCCCC1n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177095 CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177097 CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50177098 CN(C)c1ccnc2sc3c(ncn(CC4CCCC4)c3=O)c12
BDBM50177099 CC1CCCC(C1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177100 CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
BDBM50179640 Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
BDBM50179641 CN1CCCC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
BDBM50179642 CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50179643 CN1CCSC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
BDBM50179645 Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
BDBM50179652 Cn1cc(O)nc1NC(=O)Nc1cccc(c1)C#N
BDBM50179654 CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50179655 Cn1ccnc1NC(=O)Nc1cccc(Cl)c1
BDBM50179663 Cn1c(O)cnc1NC(=O)Nc1cccc(Cl)c1
BDBM50181745 Cc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50181753 Cc1nc(cs1)C#Cc1cncc(C=C)c1
BDBM50186319 Cc1cccc(c1)C(=O)Nc1cccc(C)n1
BDBM50186320 Cc1csc(NC(=O)c2cccc(Cl)c2)n1
BDBM50186321 COc1cccc(c1)C(=O)Nc1cccc(C)n1
BDBM50186322 Clc1cccc(c1)C(=O)Nc1cccc(Cl)n1
BDBM50186323 Cc1cccc(NC(=O)c2cccc(Cl)c2)n1
BDBM50186324 Cc1cccc(NC(=O)c2cccc(Br)c2)n1
BDBM50186325 Cc1cccc(NC(=O)c2cccc(I)c2)n1
BDBM50186326 Cc1cccc(NC(=O)c2cccc3ccccc23)n1
BDBM50186327 Cc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)n1
BDBM50186328 Cc1cccc(NC(=O)c2cccc(OS(C)(=O)=O)c2)n1
BDBM50186329 O=C(Nc1ccccn1)c1ccccc1
BDBM50186330 Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
BDBM50186331 Cc1cccc(NC(=O)c2cccc(c2)-c2ccccc2)n1
BDBM50186332 COc1cccc(c1)C(=O)Nc1nc(C)cs1
BDBM50186333 Cc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
BDBM50186334 Cc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)n1
BDBM50186335 Cc1csc(NC(=O)c2ccccc2)n1
BDBM50186336 Cc1cccc(NC(=O)c2ccccc2)n1
BDBM50186337 Cc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
BDBM50187607 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1
BDBM50187608 COc1ccc(cc1OC)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187609 Brc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
BDBM50187610 O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
BDBM50187611 O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccc(c1)C#N
BDBM50187612 COc1cc(OC)cc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187613 c1c(nn(c1-n1cc(nn1)-c1ccccc1)-c1ccccc1)-c1ccccc1
BDBM50187614 FC(F)(F)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187615 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187616 Clc1ccc(cc1Cl)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187617 [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
BDBM50187618 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(cnn1-c1ccccc1)-c1ccccc1
BDBM50187619 Fc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
BDBM50187620 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCCC1
BDBM50187621 Clc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
BDBM50187622 O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
BDBM50187623 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1=CCCCC1 |t:23|
BDBM50187624 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccncc1
BDBM50187625 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
BDBM50187626 Cc1ccc(cn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187627 COc1cccc(c1)-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
BDBM50187628 O=C(Nc1cc(nn1-c1cccc(c1)C#N)-c1ccccc1)c1ccccc1
BDBM50187629 Brc1ccccc1-n1nc(cc1NC(=O)c1cccc(c1)C#N)-c1ccccc1
BDBM50187630 COc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
BDBM50187631 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
BDBM50187632 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
BDBM50187633 Cc1ccc(cc1C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187634 O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1ccccc1
BDBM50187635 COc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187636 FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187637 Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
BDBM50187638 O=C(N(C(=O)c1ccc(cc1)C#N)c1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
BDBM50187639 COc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187640 Brc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
BDBM50187641 [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1
BDBM50187642 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50187643 O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50187644 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1
BDBM50187645 [O-][N+](=O)c1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187646 O=C(CC1CCCC1)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187647 NC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187648 O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
BDBM50187649 Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1
BDBM50187650 [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187651 O=C(Nc1cc(nn1-c1ccccn1)-c1ccccc1)c1ccccc1
BDBM50187652 O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50187653 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50187654 OC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50190236 CN(C)c1cncc2sc3c(ncn(-c4ccc(C)c(F)c4)c3=O)c12
BDBM50190237 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCc4ccccn4)c23)c1=O
BDBM50191052 N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
BDBM50197260 CC(C)(CNC(=O)c1cnccn1)c1ccccc1
BDBM50197245 CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
BDBM50197246 CC(C)(CNCc1cnc2ccccc2n1)c1ccccc1
BDBM50197247 O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1
BDBM50197248 CC(C)(CNC(=O)c1cnc2CCCCc2n1)c1ccccc1
BDBM50197249 CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
BDBM50197250 CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1cccc(C)n1
BDBM50197251 CCCCN(C)c1cncc(n1)C(=O)NC1CCCCCC1
BDBM50197252 CCN(C)c1cncc(n1)C(=O)NC1Cc2ccccc2C1
BDBM50197253 Oc1cccc(CCNc2cncc(n2)C(=O)NCC2CC2)c1
BDBM50197254 C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1 |wU:4.7,wD:1.0,(7.01,-30.31,;5.68,-31.07,;4.34,-30.31,;3.01,-31.08,;3.02,-32.61,;4.35,-33.38,;5.68,-32.61,;1.69,-33.39,;.35,-32.62,;.35,-31.08,;-.98,-33.4,;-.97,-34.95,;-2.31,-35.72,;-3.64,-34.95,;-3.64,-33.4,;-2.31,-32.63,;-4.97,-35.72,;-6.31,-34.95,;-7.64,-35.71,;-7.65,-37.25,;-6.31,-38.02,;-4.97,-37.26,)|
BDBM50197255 CC(C)(CNC(=O)c1cnc(cn1)N1CCCCC1)c1ccccc1
BDBM50197256 CC(CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 |w:1.0|
BDBM50197257 CC(CN(C)C)N(C)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 |w:1.0|
BDBM50197258 CC(C)(CNC(=O)c1cnc(cn1)-c1ccccc1)c1ccccc1
BDBM50197259 O=C(NCC1CC1)c1cncc(n1)N1CCCN(Cc2ccccc2)CC1
BDBM50197261 CNC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
BDBM50197262 CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccn1
BDBM50197263 CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCC(C1)c1ccccc1 |w:22.27|
BDBM50197264 CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1
BDBM50197265 CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:1.0|
BDBM50197266 COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
BDBM50197267 CN(CCO)c1cncc(n1)C(=O)NCC(C)(C)c1ccccc1
BDBM50197268 C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1 |wU:4.7,wD:1.0,(9.04,-40.15,;7.71,-40.92,;6.38,-40.15,;5.04,-40.92,;5.05,-42.45,;6.38,-43.22,;7.71,-42.46,;3.72,-43.23,;2.38,-42.46,;2.38,-40.92,;1.05,-43.24,;1.06,-44.79,;-.28,-45.56,;-1.61,-44.79,;-1.61,-43.25,;-.28,-42.48,;-2.95,-45.56,;-4.28,-44.79,;-5.61,-45.55,;-5.62,-47.09,;-6.96,-47.85,;-8.29,-47.08,;-4.29,-47.87,;-2.94,-47.1,)|
BDBM50197269 CC(C)(CNC(=O)c1cncc(n1)-c1ccccc1)c1ccccc1
BDBM50197270 CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1
BDBM50197271 O=C(NCCc1ccccc1)c1cnc2ccccc2n1
BDBM50197272 CC(C)(CNC(=O)c1cncc(n1)N1CCCCC1)c1ccccc1
BDBM50197273 O=C(N1CCCC(C1)c1ccccc1)c1cnc2ccccc2n1 |w:6.8|
BDBM50197274 CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1ccccn1
BDBM50197275 CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccc(F)cc1
BDBM50197276 CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1
BDBM50198702 CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
BDBM50202118 [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202120 Clc1ccc(NC(=O)c2ncccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202121 Oc1cccnc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202124 COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202127 Clc1ccc(NC(=O)c2cccnc2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202128 Clc1ccc(NC(=O)c2cccnn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202130 COc1cccc(c1)C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202131 FC(F)(F)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202134 Clc1ccc(NC(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202135 Clc1ccc(NC(=O)C2CCCCC2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202142 Clc1ccc(NC(=O)c2ccccc2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202143 Clc1ccc(NC(=O)c2cncs2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50204424 C(Oc1ccc2NC3CNCCC3c2c1)c1ccccc1 |w:12.11,7.7|
BDBM50204425 CC(NC(=O)c1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
BDBM50204426 O=C1NCCc2c1[nH]c1ccc(OCC3CCCCC3)cc21
BDBM50204427 O=C(NC1CC2CCC1C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |w:8.7,5.5,3.2,TEB:2:3:6.7:9|
BDBM50204428 CCCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(C)(C)C)c1C
BDBM50204429 O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,THB:18:19:22:25.26.17,18:17:20.19.24:22,20:19:25:21.22.26|
BDBM50204430 O=C(Nc1ccccc1)c1ccc2[nH]c3c(CCNC3=O)c2c1
BDBM50204431 O=C1NNCc2c1[nH]c1ccc(OCc3ccccc3)cc21
BDBM50204432 O=C1NCCC2C1Nc1ccc(OCc3ccccc3)cc21 |w:5.4,6.7|
BDBM50204433 Cc1cc2[nH]c3c(CCNC3=O)c2cc1OCc1ccccc1
BDBM50204434 O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |THB:2:3:6:10.8.9,8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
BDBM50204435 O=C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
BDBM50204436 O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,THB:21:20:26:22.23.27,23:22:26.25.24:19,23:24:21.22.27:19|
BDBM50204437 O=C1NCCc2c1[nH]c1cc(OCc3ccccc3)ccc21
BDBM50204438 Oc1ccc2[nH]c3c(CCNC3=O)c2c1
BDBM50204439 CC(Oc1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
BDBM50204440 O=C1CCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
BDBM50204441 O=C1NCCc2c1[nH]c1cccc(OCc3ccccc3)c21
BDBM50204442 O=C1NCc2c1[nH]c1ccc(OCc3ccccc3)cc21
BDBM50204443 CC(Oc1ccc2[nH]c3c(CCNC3=O)c2c1)c1ccccc1 |w:1.0|
BDBM50204444 O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50204445 CC(N(C)C(=O)c1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
BDBM50204446 O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2[nH]c3c(CCNC3=O)c2c1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(-2.07,-19.86,;-2.06,-21.41,;-3.4,-22.18,;-4.74,-21.42,;-6.1,-22.09,;-7.03,-21,;-7.2,-19.6,;-8.87,-19.1,;-7.82,-20.25,;-7.69,-21.76,;-6.41,-19.53,;-4.85,-19.91,;-5.88,-18.92,;-.72,-22.17,;-.72,-23.71,;.62,-24.48,;1.95,-23.69,;3.42,-24.16,;4.28,-22.89,;3.41,-21.67,;4.03,-20.27,;5.56,-20.09,;6.46,-21.34,;5.85,-22.75,;6.76,-23.99,;1.94,-22.16,;.6,-21.39,)|
BDBM50204447 O=C1NCCc2c1[nH]c1ccc(Oc3ccccc3)cc21
BDBM50204448 C(Oc1ccc2[nH]c3CNCCc3c2c1)c1ccccc1
BDBM50208759 NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|
BDBM50208756 NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|
BDBM50208757 NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|
BDBM50208758 NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|
BDBM50208760 NC(C(O)=O)c1cnn(O)c1Br |w:1.0|
BDBM50208761 NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|
BDBM50208762 NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|
BDBM50208763 CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|
BDBM50208764 CCc1c(cnn1O)C(N)C(O)=O |w:8.9|
BDBM50208765 NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
BDBM50208766 CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|
BDBM50208767 CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|
BDBM50207811 NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207081 Cc1cccc(NC(=O)c2nccc3ccccc23)n1
BDBM50207082 Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc3ccccc23)n1
BDBM50207812 NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207813 NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207814 NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50207083 Cc1cccc(NC(=O)c2cc(ccn2)-c2ncccn2)n1
BDBM50207084 Cc1cccc(NC(=O)c2cccn2C)n1
BDBM50207085 Cc1cccc(NC(=O)c2nccn2C)n1
BDBM50207086 COc1ccccc1-c1ccc(nc1)C(=O)Nc1cccc(C)n1
BDBM50207087 Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccc2)n1
BDBM50207088 Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(F)c2)n1
BDBM50207078 Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1
BDBM50207079 Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(c2)C#N)n1
BDBM50207080 Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccn2)n1
BDBM50207810 NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50210956 Cc1nc2cc(ccc2s1)-c1cccc(Cl)c1
BDBM50210957 COc1cc(OC)nc(n1)-c1ccc2ccc(C)nc2c1
BDBM50210958 Cc1ccc2ccc(cc2n1)-c1nc(C)cc(C)n1
BDBM50210959 Cc1nc2nc(sc2cc1-c1ccccc1)-c1ccccc1
BDBM50210960 Cc1ccc2n(Cc3ccccc3)c(nc2n1)-c1ccccc1
BDBM50210961 Cc1ccc2ccc(cc2n1)-c1ncccn1
BDBM50210962 Cc1ccc2ccc(cc2n1)-c1cnccn1
BDBM50210963 COc1cccc(c1)-c1ccc2sc(C)nc2c1
BDBM50210964 Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
BDBM50210965 Cc1nc2cc(ccc2s1)-c1cccc(c1)C#N
BDBM50210966 Cc1nc2nc(sc2cc1-c1cccs1)-c1ccccc1
BDBM50210967 Cc1ccc2[nH]c(nc2n1)-c1ccccc1
BDBM50210968 COc1ccnc(n1)-c1ccc2ccc(C)nc2c1
BDBM50210969 Cc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2n1
BDBM50212323 C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50215553 FCc1nc(cs1)C#Cc1cncc(c1)C#N
BDBM50215554 COc1cccc(c1)C#Cc1csc(CF)n1
BDBM50215555 FCc1nc(cs1)C#Cc1cccc(F)c1
BDBM50215556 FCc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50216755 Cc1cccc(c1)-c1ccc2ccc(C)nc2c1
BDBM50216756 Cc1ccc2ccc(cc2n1)-c1ccccc1C#N
BDBM50216757 COCc1cccc(c1)-c1ccc2ccc(C)nc2c1
BDBM50216758 Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216759 Cc1ccc2ccc(cc2n1)-c1cccc(F)c1
BDBM50216760 Cc1ccc2ccc(cc2n1)-c1cccc(c1)C(N)=O
BDBM50216761 COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216762 Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N
BDBM50216763 COc1ccc(cc1)-c1ccc2ccc(C)nc2c1
BDBM50216764 CCS(=O)(=O)c1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216765 Cc1ccc2ccc(cc2n1)-c1ccccc1
BDBM50216766 Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N
BDBM50216767 CC(C)Oc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216768 COCCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216769 Cc1ccc2ccc(cc2n1)-c1cccc(CC#N)c1
BDBM50216770 CCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216739 Cc1ccc2ccc(cc2n1)-c1cccc(OC(F)(F)F)c1
BDBM50216744 CC(C)COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216749 COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216750 Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
BDBM50216751 Cc1ccc2ccc(cc2n1)-c1cccc(c1)C(F)(F)F
BDBM50216752 CCSc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
BDBM50216737 Cc1ccc2ccc(cc2n1)-c1cc(O)cc(c1)C#N
BDBM50216738 Cc1ccc2ccc(cc2n1)-c1cccc(O)c1
BDBM50216740 CC(=O)c1cccc(c1)-c1ccc2ccc(C)nc2c1
BDBM50216741 Cc1ccc2ccc(cc2n1)-c1cc(Br)cc(c1)C#N
BDBM50216742 Cc1ccc2ccc(cc2n1)-c1ccc(cc1)C#N
BDBM50216743 Cc1ccc2ccc(cc2n1)-c1cccc(Cl)c1
BDBM50216745 Cc1ccc2ccc(cc2n1)-c1cncc(c1)C#N
BDBM50216746 Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
BDBM50216747 Cc1ccc2ccc(cc2n1)-c1cccnc1
BDBM50216748 COc1cccc(c1)-c1ccc2ccc(C)nc2c1
BDBM50216753 Cc1ccc2ccc(cc2n1)-c1cccc(CO)c1
BDBM50216754 COc1ccccc1-c1ccc2ccc(C)nc2c1
BDBM50220076 Cc1cc(F)cc(c1)-c1ncc2ccc(C)nc2n1
BDBM50220077 Clc1cc(Cl)cc(c1)-c1ncc2cccnc2n1
BDBM50220078 COc1cc(cc(OC)c1OC)-c1ncc2ccc(C)nc2n1
BDBM50220079 COc1cc(OC)cc(c1)-c1ncc2ccc(C)nc2n1
BDBM50220080 Cc1ccc2cnc(nc2n1)-c1cccc(CN)c1
BDBM50220081 COc1cccc(c1)-c1ncc2ccc(C)nc2n1
BDBM50220082 Cc1cc(F)cc(c1)-c1ncc2cccnc2n1
BDBM50220083 Brc1cccc(c1)-c1ncc2cccnc2n1
BDBM50220084 Cc1cccc(c1)-c1ncc2ccc(C)nc2n1
BDBM50220085 Cc1ccc2cnc(nc2n1)-c1cccc(Br)c1
BDBM50220086 Cc1ccc2cnc(nc2n1)-c1ccc(cc1)C#N
BDBM50220087 Cc1ccc2cnc(nc2n1)-c1cc(Cl)cc(Cl)c1
BDBM50220088 COc1cc(cc(c1)-c1ncc2cccnc2n1)C#N
BDBM50220089 Cc1ccc2cnc(nc2n1)-c1cccc(c1)S(C)(=O)=O
BDBM50220090 Cc1ccc2cnc(nc2n1)-c1ccc(Cl)c(Cl)c1
BDBM50220091 Cc1ccc2cnc(nc2n1)-c1ccc(Cl)cc1Cl
BDBM50220092 COC(=O)c1ccc(cc1)-c1ncc2ccc(C)nc2n1
BDBM50220093 Cc1ccc2cnc(nc2n1)-c1ccc(Br)cc1
BDBM50220094 Cc1ccc2cnc(nc2n1)-c1cccc(c1)C#N
BDBM50220095 COc1ccccc1-c1ncc2ccc(C)nc2n1
BDBM50220096 COc1cc(cc(c1)-c1ncc2ccc(C)nc2n1)C#N
BDBM50220097 Cc1ccc2cnc(nc2n1)-c1ccccc1
BDBM50220098 N#Cc1cccc(c1)-c1ncc2cccnc2n1
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50224389 CSc1nc2c(cnc3sc4c(ncn(-c5ccc(C)cc5)c4=O)c23)s1
BDBM50224390 Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
BDBM50224391 Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224392 C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
BDBM50224393 Clc1ccc(cc1)-n1cnc2c(sc3ncc4[nH]cnc4c23)c1=O
BDBM50224394 Cn1cnc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c12
BDBM50224395 Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224396 C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
BDBM50224397 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50224398 COc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
BDBM50224399 Cc1ccc(cc1)-n1cnc2c(sc3[nH]cc4sc(=O)nc4c23)c1=O
BDBM50224400 C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
BDBM50224401 Clc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
BDBM50224402 Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
BDBM50224403 Cc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
BDBM50224404 Cc1ccc(cc1)-n1cnc2c(sc3[nH]cc4sc(=S)nc4c23)c1=O
BDBM50224405 COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224406 C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
BDBM50224407 COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
BDBM50224409 C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
BDBM50224917 Cc1cccc(c1)-c1ccc2cccnc2n1
BDBM50224918 c1ccc(cc1)-c1ccc2cccnc2n1
BDBM50224919 Cc1cccc(c1)-c1cnc2cccnc2c1
BDBM50224920 COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N
BDBM50224921 COCOc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
BDBM50224922 COc1cc(OC)cc(c1)-c1ccc2ccc(C)nc2n1
BDBM50224926 COc1cc(OC)cc(c1)-c1cc2nc(C)ccc2cn1
BDBM50224923 N#Cc1cccc(c1)-c1ccc2cccnc2n1
BDBM50224924 Cc1ccc(cc1C)-c1ccc2cccnc2n1
BDBM50224925 Cc1ccc2ccc(nc2n1)-c1cc(F)cc(F)c1
BDBM50224927 COc1cc(OC)cc(c1)-c1cc2ncccc2cn1
BDBM50224928 Cc1cc(C)cc(c1)-c1cnc2cccnc2c1
BDBM50224929 Cc1ccc2ccc(nc2n1)-c1cccc(Br)c1
BDBM50224930 Cc1cccc(c1)-c1cc2ncccc2cn1
BDBM50224931 Cc1ccc2ccc(nc2n1)-c1cccc(c1)C#N
BDBM50224932 COc1cc(cc(c1)-c1cnc2cccnc2c1)C#N
BDBM50224933 Fc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
BDBM50224934 Cc1ccc2cnc(cc2n1)-c1ccccc1
BDBM50224935 c1ccc(cc1)-c1cc2ncccc2cn1
BDBM50224936 Cc1ccc2ccc(nc2n1)-c1cccc(Cl)c1
BDBM50224937 Cc1cc(F)cc(c1)-c1cc2ncccc2cn1
BDBM50224938 Cc1cccc(c1)-c1cc2nc(C)ccc2cn1
BDBM50224939 Cc1cccc(c1)-c1ccc2ccc(C)nc2n1
BDBM50224940 COc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
BDBM50224941 COc1cc(OC)cc(c1)-c1ccc2cccnc2n1
BDBM50224942 N#Cc1cccc(c1)-c1cnc2cccnc2c1
BDBM50224943 Cc1cc(F)cc(c1)-c1cc2nc(C)ccc2cn1
BDBM50224944 COc1cccc(c1)-c1cc2nc(C)ccc2cn1
BDBM50224945 Cc1ccc(cc1C)-c1cnc2cccnc2c1
BDBM50231736 CCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
BDBM50231737 CC1(C)CC(=O)c2cc(Br)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1
BDBM50231722 CCCCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
BDBM50231723 CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3)nc2C1
BDBM50231738 CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1
BDBM50231739 O=C1CCCc2nc(ccc12)N1CCN(CC1)c1ccccc1
BDBM50231740 O=C1CCCc2nc(OCc3ccccc3)ccc12
BDBM50231741 O=C1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231742 CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCc2ccccc2C1
BDBM50231743 CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccccc1
BDBM50231744 O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
BDBM50231745 CN(Cc1ccccc1)c1nc2CCCC(=O)c2cc1C#N
BDBM50231746 COc1ccc(cc1)N1CCN(CC1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
BDBM50231747 O[C@@H]1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231748 O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
BDBM50231749 CCc1nc(C#N)c(nc1C)N1CCc2ccccc2CC1
BDBM50231750 CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(CC1)OC |(-9.6,3.19,;-8.27,3.96,;-6.93,3.19,;-5.6,3.96,;-4.27,3.2,;-2.94,3.97,;-1.61,3.21,;-1.6,1.66,;-2.93,.89,;-4.27,1.65,;-5.6,.87,;-6.93,1.64,;-8.27,.88,;-.28,3.99,;-.29,5.53,;1.06,3.22,;1.06,1.68,;2.39,.92,;3.73,1.69,;3.72,3.23,;2.38,4,;5.06,.92,;5.07,-.62,)|
BDBM50231751 COC(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50231752 O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
BDBM50231753 C1CCc2nc(ccc2C1)C#Cc1ccccc1
BDBM50231755 CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
BDBM50231756 CC1(C)CC(=O)c2cc(C#N)c(NC3CCCCC3)nc2C1
BDBM50231757 CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1 |c:20|
BDBM50231758 CC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
BDBM50231759 O[C@H]1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231760 CN(Cc1ccccc1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
BDBM50231761 CC1(C)CC(=O)c2cc(Br)c(NC3CCCC3)nc2C1
BDBM50231719 OC1CCCc2nc(ccc12)C#Cc1ccccc1 |w:1.0|
BDBM50231725 CN(C)C(=O)c1cc2C(=O)CC(C)(C)Cc2nc1NC1CCCC1
BDBM50231726 CC1(C)CC(=O)c2cc(C#N)c(NC34CC5CC(CC(C5)C3)C4)nc2C1 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
BDBM50231762 O=C1CCCc2nc(SCc3ccccc3)c(cc12)C#N
BDBM50231763 CC1(C)CC(=O)c2cc(C(O)=O)c(NC3CCCC3)nc2C1
BDBM50231764 CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1
BDBM50231721 O=C1CCCc2nc(ccc12)C#Cc1ccccn1
BDBM50231765 CC1(C)CC(=O)c2cc(-c3nnn[nH]3)c(NC3CCCC3)nc2C1
BDBM50231766 CC1(C)CC(=O)c2cc(N3CCOCC3)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1 |c:25|
BDBM50231724 CC1(C)CC(=O)c2cc(Cl)c(NC3CCCC3)nc2C1
BDBM50231727 O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
BDBM50231728 COC1CCCc2nc(ccc12)C#Cc1ccccc1 |w:2.1|
BDBM50231729 CC1(C)CC(=O)c2ccc(NCc3ccccc3)nc2C1
BDBM50231731 O=C1CCCc2nc(NC3CCCCCC3)c(cc12)C#N
BDBM50231732 CC1(C)CC(=O)c2cc(c(NC3CCC(=CC3)c3ccc(F)cc3)nc2C1)[N+]([O-])=O |w:11.10,c:14|
BDBM50231730 O=C1CCCc2nc(NC3CCCCC3)c(cc12)C#N
BDBM50231720 CC1(C)CC(=O)c2cc(C#N)c(NCc3ccccc3)nc2C1
BDBM50231733 CCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
BDBM50231735 CC1(C)CC(=O)c2cc(C#N)c(NC3Cc4ccccc4C3)nc2C1
BDBM50263670 CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
BDBM50258374 Cc1cccc(NC(=O)c2cncc(c2)-c2cccnc2)n1
BDBM50258375 COc1ccccc1-c1cncc(c1)C(=O)Nc1cccc(C)n1
BDBM50258376 Cc1cccc(NC(=O)c2ccc(nc2)-c2ccccc2)n1
BDBM50258377 Cc1cccc(NC(=O)c2ccc(nc2)-c2cccnc2)n1
BDBM50258611 Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
BDBM50258612 Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50258613 Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
BDBM50258139 Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)no1
BDBM50258140 FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
BDBM50258141 Fc1ccc2Oc3ccccc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
BDBM50258142 Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
BDBM50258184 Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
BDBM50258185 Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
BDBM50258186 Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
BDBM50258223 Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3ccccc3Oc12
BDBM50258224 Fc1ccc2Oc3ccccc3C(C(=O)Nc3ncc(o3)C(F)(F)F)c2c1
BDBM50258225 Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
BDBM50258226 FC(F)(F)c1cnc(NC(=O)C2c3ccccc3Oc3ccccc23)o1
BDBM50258227 Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
BDBM50258660 Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2cccnc2)n1
BDBM50258661 COc1ccccc1-c1cc(F)cc(c1)C(=O)Nc1cccc(C)n1
BDBM50258662 Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2ccccc2C)n1
BDBM50258663 Cc1cccc(NC(=O)c2ccc(c(F)c2)-c2cccnc2)n1
BDBM50258664 Cc1cccc(NC(=O)c2ccc(c(Cl)c2)-c2cccnc2)n1
BDBM50258665 Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
BDBM50258328 N#Cc1cc(ccc1-c1ccccc1)C#Cc1ccccn1
BDBM50258329 Fc1cccc(c1)-c1ccc(cc1C#N)C#Cc1ccccn1
BDBM50258330 Fc1ccc(cc1)-c1ccc(cc1C#N)C#Cc1ccccn1
BDBM50258331 Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
BDBM50258332 Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(c2)C#N)n1
BDBM50258333 Cc1cccc(NC(=O)c2ccc(c(c2)C#N)-c2cccc3ccccc23)n1
BDBM50258334 Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(c2)C#N)n1
BDBM50243159 Clc1cccc(c1)C#Cc1cncnc1
BDBM50243160 FC(F)(F)c1cccc(c1)C#Cc1cncnc1
BDBM50243161 Cc1cc(ccc1F)C#Cc1cncnc1
BDBM50243162 Fc1cc(F)cc(c1)C#Cc1cncnc1
BDBM50243163 c1ccc(cc1)-c1ccc(cc1)C#Cc1cncnc1
BDBM50243164 Cc1ccc(C)c(c1)C#Cc1cncnc1
BDBM50243165 Cc1ccc(cc1)C#Cc1cncnc1
BDBM50243166 CCc1ccc(cc1)C#Cc1cncnc1
BDBM50245379 C[N+](C)([O-])c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
BDBM50258619 Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50245682 CN(C)c1ccnc2sc3c(ncn(-c4ccc5cc[nH]c5c4)c3=O)c12
BDBM50252047 N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252048 COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252049 N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252050 N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
BDBM50252051 CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252052 CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50243212 Clc1ccc(cc1)C#Cc1cncnc1
BDBM50243213 O=Cc1ccc(cc1)C#Cc1cncnc1
BDBM50243107 Fc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50243108 c1ccc(cc1)C#Cc1cncnc1
BDBM50243109 Cc1cccc(c1)C#Cc1cncnc1
BDBM50278954 Cc1ccc(cc1)C#Cc1ncccn1
BDBM50278357 OCCCOc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278358 O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278359 NCCNc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278360 NCCCNc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278361 C(CN1CCOCC1)Nc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278362 C(CN1CCOCC1)Oc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278286 COCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278227 C1C(Cc2ccccc12)Nc1nccc2ccccc12
BDBM50278228 CNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12
BDBM50278229 OCCNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12
BDBM50278287 CN(C)CCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278288 OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278289 COCCNc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278290 OCCOc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278291 COCCOc1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278230 OCCNc1cc2c(NCCO)ncnc2cn1
BDBM50278851 C[C@H](Nc1ncnc2cnc(cc12)N(C)C)c1ccccc1 |r|
BDBM50278114 C1CCC(CC1)Nc1ncnc2ccccc12
BDBM50278115 C1CCC(CC1)Nc1ccnc2ccccc12
BDBM50278231 C1C(Cc2ccccc12)Nc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278232 OCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278116 C1CCC(CC1)Oc1ncnc2ccccc12
BDBM50278407 C(CN1CCOCC1)Oc1cc2c(NC3CCCCCC3)ncnc2cn1
BDBM50278853 CN(C)c1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278923 CCOc1ncc(cn1)C#Cc1cccc(C)c1
BDBM50278924 CNc1ncc(cn1)C#Cc1ccccc1
BDBM50278925 CNc1ncc(cn1)C#Cc1cccc(C)c1
BDBM50278926 CSc1ncc(cn1)C#Cc1ccccc1
BDBM50278927 CC(C)(C)c1ncc(cn1)C#Cc1ccccc1
BDBM50278928 CNc1ncc(cn1)C#Cc1ccc(C)cc1
BDBM50278929 c1ccc(cc1)C#Cc1ncccn1
BDBM50278930 Cc1cccc(c1)C#Cc1ncccn1
BDBM50278110 CN(C)c1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1
BDBM50278111 CNc1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1
BDBM50278112 CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278113 COc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50293721 COc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293743 Clc1cccc(NC(=O)c2ccccn2)c1
BDBM50291679 CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
BDBM50278850 CN(C)c1cc2c(NC3CCCCC3)ncnc2cn1
BDBM50278852 CCCC(C)Nc1ncnc2cnc(cc12)N(C)C
BDBM50288204 OC(=O)C[C@H]1CN[C@@H]1C(O)=O
BDBM50278153 C1C(Cc2ccccc12)Nc1ncnc2ccccc12
BDBM50296698 COc1ccc(cc1Br)-c1cc(C)nc(c1)-c1ccc(OC)c(Br)c1
BDBM50296699 CCOc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
BDBM50296700 CC(CC(=O)c1ccc2OCCOc2c1)c1ccccc1
BDBM50296672 O=C(C=Cc1cnc2ccccc2c1)C1CC1 |w:3.3|
BDBM50296673 CC(C)(C)C(=O)\C=C\c1cnc2ccccc2c1
BDBM50296674 O=C(\C=C\c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:19:18:15:21.20.22,19:20:17.18.23:15,1:14:17:21.19.20,22:20:17:23.14.15,22:14:17:21.19.20|
BDBM50296675 O=C(\C=C\c1cnc2OCCOc2c1)C12CC3CC(CC(C3)C1)C2 |THB:1:14:17:21.19.20,19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
BDBM50296676 COc1ncc(\C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1C |THB:8:10:13:17.15.16,15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
BDBM50296677 O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,1:15:18:22.20.21,23:21:18:24.15.16,23:15:18:22.20.21|
BDBM50296678 O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2 |THB:1:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
BDBM50296679 COc1ccc(cn1)C1CC1C(=O)C12CC3CC(CC(C3)C1)C2 |THB:11:13:16:20.18.19,18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
BDBM50296680 CC(=O)c1ccc(OC(=O)c2ccc(cc2)-c2ccccc2)cc1
BDBM50296681 CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C(C)=O |(37.89,-30.99,;36.55,-30.24,;35.23,-31.03,;33.88,-30.27,;32.56,-31.06,;32.58,-32.61,;31.25,-33.4,;29.91,-32.64,;29.89,-31.09,;31.22,-30.31,;28.58,-33.42,;27.24,-32.66,;28.59,-34.96,;27.26,-35.74,;25.93,-34.97,;24.61,-35.75,;24.62,-37.29,;25.97,-38.05,;27.29,-37.27,;23.29,-38.08,;23.31,-39.62,;21.95,-37.32,)|
BDBM50296682 CCCCCCc1cc2c3CCCc3c(=O)oc2cc1OC
BDBM50296683 CCCCCc1ccc(nc1)-c1ccc(OC(=O)C2CCC(CC)CC2)cc1 |(3.83,-46.98,;5.37,-46.96,;6.12,-45.61,;7.66,-45.59,;8.41,-44.24,;9.95,-44.22,;10.7,-42.87,;12.24,-42.84,;13.04,-44.16,;12.29,-45.51,;10.74,-45.54,;14.57,-44.13,;15.36,-45.45,;16.9,-45.42,;17.65,-44.08,;19.19,-44.05,;19.98,-45.36,;21.52,-45.33,;19.24,-46.71,;17.7,-46.73,;16.96,-48.08,;17.75,-49.4,;17,-50.74,;15.46,-50.77,;19.29,-49.37,;20.04,-48.02,;16.84,-42.75,;15.31,-42.79,)|
BDBM50296684 CC(Oc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1
BDBM50296685 Cc1ccc(cc1C)C(=O)c1ccc(Oc2ccccc2)cc1
BDBM50296686 O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1
BDBM50296687 COc1ccc(cc1)C(=O)\C=C\c1ccc(OC2CSC2)cc1
BDBM50296688 CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C1CCCCC1
BDBM50296689 Brc1ccc(\C=N\c2ccc(cc2)C(=O)c2ccccc2)cc1
BDBM50296690 Fc1ccc(COc2ccc3c(cc(=O)oc3c2)-c2ccccc2)cc1
BDBM50296691 Clc1ccc(\C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cc1
BDBM50296692 COc1ccc(cc1C)C(=O)c1ccc(cc1)C(=O)c1ccc(C)c(OC)c1
BDBM50296693 Fc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1
BDBM50296694 COc1cc2CC(C)(C)N=C(Cc3ccccc3)c2cc1OC |t:9|
BDBM50296695 CCn1c2ccccc2c2cc(\C=N\c3ccc(C)c(F)c3)ccc12
BDBM50296696 CCCCOc1ccc(cc1)-c1nnc(s1)-c1ccc(cc1)-c1ccccc1
BDBM50296664 COc1ccc(cc1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
BDBM50296665 O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |THB:1:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50296666 Cc1ccc2nc(Cl)c(\C=C\C(=O)c3cccs3)cc2c1
BDBM50296667 Cc1cccc2cc(\C=C\C(=O)c3ccccc3)c(Cl)nc12
BDBM50296668 Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccccc3)cc2c1
BDBM50296669 Cc1ccc2cc(\C=C\C(=O)c3cccs3)c(Cl)nc2c1
BDBM50296670 COc1ccc(cc1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
BDBM50296671 Cc1coc(C)c1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl |w:10.11|
BDBM50305056 CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50301804 CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
BDBM50296697 Clc1ccc(cc1)C(=O)c1ccc2OCCCCc2c1
BDBM50311863 Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1
BDBM50311864 Clc1ccc2ncnc(Oc3cccc(Br)c3)c2c1
BDBM50311865 CN(c1cccc(Br)c1)c1ncnc2ccc(Cl)cc12
BDBM50311879 [O-][N+](=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50311884 Brc1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311885 Fc1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311886 CCc1cccc(Nc2ncnc3ccc(F)cc23)c1
BDBM50311850 Fc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1
BDBM50311868 Clc1ccc2ncnc(NCCc3ccccc3)c2c1
BDBM50311851 Fc1ccc2ncnc(Nc3cc(F)cc(Cl)c3)c2c1
BDBM50311852 Fc1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
BDBM50311853 Fc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50311869 Clc1ccc2ncnc(NCc3ccccc3Cl)c2c1
BDBM50311870 Clc1cccc(CNc2ncnc3ccc(Cl)cc23)c1
BDBM50311871 Clc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1
BDBM50311854 COc1cccc(Nc2ncnc3ccc(F)cc23)c1
BDBM50311855 Fc1ccc2ncnc(Nc3cccc(c3)C#N)c2c1
BDBM50311856 Fc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
BDBM50311866 Clc1ccc2ncnc(NCCc3ccccc3Cl)c2c1
BDBM50311867 Clc1cccc(CCNc2ncnc3ccc(Cl)cc23)c1
BDBM50311872 Clc1ccc2ncnc(NCc3ccccc3)c2c1
BDBM50311873 Clc1ccc2ncnc(Nc3ccccc3)c2c1
BDBM50311874 Brc1cccc(Nc2nccc3ccc(Br)cc23)c1
BDBM50312096 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312097 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
BDBM50311857 Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
BDBM50311858 Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50311859 Fc1ccc2ncnc(Nc3ccccc3)c2c1
BDBM50311875 Clc1ccc2nccc(Nc3cccc(Br)c3)c2c1
BDBM50311876 Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50311877 Clc1cccc(Nc2ncnc3ccc(cc23)C#N)c1
BDBM50312098 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1
BDBM50312099 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
BDBM50312100 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
BDBM50312101 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1
BDBM50312102 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1
BDBM50312103 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM50312104 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(c2)C#N)c1
BDBM50312105 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
BDBM50312106 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1
BDBM50312107 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1
BDBM50312108 COc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
BDBM50312109 COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
BDBM50311860 Brc1cccc(Sc2ncnc3ccc(Br)cc23)c1
BDBM50311861 Brc1cccc(Oc2ncnc3ccc(Br)cc23)c1
BDBM50311862 CN(c1cccc(Br)c1)c1ncnc2ccc(Br)cc12
BDBM50311878 COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50311880 Fc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50311881 COc1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311882 FC(F)(F)c1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311883 Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311887 Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
BDBM50311888 Brc1ccc2ncnc(Nc3ccccc3)c2c1
BDBM50312110 COc1ccccc1C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,17:19:22:26.25.24|
BDBM50312111 COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
BDBM50312112 COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1
BDBM50312113 COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCC2)c1
BDBM50312114 COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
BDBM50312115 COc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1
BDBM50312116 COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1
BDBM50312117 COCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
BDBM50312118 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
BDBM50312119 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312120 Clc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312121 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
BDBM50312122 Fc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312123 Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312124 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312125 Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312126 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1
BDBM50312127 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
BDBM50312128 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
BDBM50312129 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
BDBM50312130 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24,16:18:21:25.23.24|
BDBM50312131 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
BDBM50312132 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCC2)c1
BDBM50312133 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCC2)c1
BDBM50312134 Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
BDBM50312135 CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50301520 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50316005 Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
BDBM50316008 Cc1ccc(cc1)-n1cnc2c3c(N)nc(C)nc3sc2c1=O
BDBM50327688 Fc1cc(cc(c1)N1CCc2oc(nc2C1)-c1ccccn1)C#N
BDBM50312136 CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50317842 Cc1ccc2ccc(cc2n1)-c1ccc(O)c(c1)C#N
BDBM50317848 Cc1ccc2ccc(cc2n1)-c1ccc(Cl)cc1C#N
BDBM50327695 Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
BDBM50317849 Cc1ccc2ccc(cc2n1)-c1ccc(-c2ccccc2)c(c1)C#N
BDBM50317850 Cc1ccc2ccc(cc2n1)-c1ccc(-c2ccc(F)cc2)c(c1)C#N
BDBM50317851 Cc1ccc2ccc(cc2n1)-c1ccc(-c2cccnc2)c(c1)C#N
BDBM50317852 N#Cc1cc(ccc1-c1ccccc1)-c1ccc2scnc2c1
BDBM50317853 N#Cc1cc(ccc1-c1cccnc1)-c1ccc2scnc2c1
BDBM50318370 CO\N=C1/CCCC(=C1)C#Cc1cccnc1 |c:7|
BDBM50318371 CO\N=C1/CCCC(=C1)C#Cc1ccncc1 |c:7|
BDBM50318372 CO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:7|
BDBM50318373 Cc1cccc(n1)C#CC1=C\C(CCC1)=N\Oc1cccc(F)n1 |t:10|
BDBM50318374 Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
BDBM50318375 Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14|
BDBM50318376 Fc1cccc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
BDBM50318377 Fc1cc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
BDBM50318378 Fc1ccc(C#N)c(O\N=C2/CCCC(=C2)C#Cc2ccccn2)c1 |c:14|
BDBM50318379 Fc1cc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
BDBM50318380 FCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:11|
BDBM50318381 FCCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
BDBM50318382 FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
BDBM50318383 Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10|
BDBM50317843 Cc1nc2cc(ccc2s1)-c1ccc(OS(=O)(=O)C(F)(F)F)c(c1)C#N
BDBM50317844 Cc1nc2cc(ccc2s1)-c1ccc(-c2ccc(F)cc2)c(c1)C#N
BDBM50317845 COCOc1ccc(cc1C#N)-c1ccc2ccc(C)nc2c1
BDBM50317846 Cc1ccc2ccc(cc2n1)-c1ccc(OCc2ccccc2)c(c1)C#N
BDBM50317847 Cc1nc2cc(ccc2s1)-c1ccc(OCc2ccccc2)c(c1)C#N
BDBM50317854 Cc1cccc(n1)C#Cc1cncc(c1)C#N
BDBM50317855 Cc1ccc2ccc(cc2n1)-c1cnc(Cl)c(c1)C#N
BDBM50317856 Cc1ccc2ccc(cc2n1)-c1cnc(-c2ccccc2)c(c1)C#N
BDBM50323275 Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1F)C#N
BDBM50323278 CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323279 Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#C)C#N
BDBM50323280 Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#N)C#N
BDBM50323282 COc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
BDBM50323283 COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323284 COc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
BDBM50323285 Cc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
BDBM50323286 Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323287 Cc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
BDBM50323288 Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)cc1)C#N
BDBM50323289 Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
BDBM50323290 Fc1cc(cc(c1)C(=O)Nc1ccccc1Cl)C#N
BDBM50323291 Fc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
BDBM50323292 Fc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323276 CS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323277 CC(C)(C)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323293 Fc1cc(cc(c1)C(=O)Nc1ccccc1F)C#N
BDBM50323294 Fc1cc(cc(c1)C(=O)Nc1ccccc1)C#N
BDBM50323296 Fc1cc(cc(c1)C(=O)NC1CCCCC1)C#N
BDBM50323297 CC(C)(C)c1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50323298 Fc1cc(cc(c1)C(=O)Nc1nc(cs1)C1CC1)C#N
BDBM50323299 Cc1nc(NC(=O)c2cc(F)cc(c2)C#N)sc1C
BDBM50323300 Cc1cnc(NC(=O)c2cc(F)cc(c2)C#N)s1
BDBM50323301 CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50323281 Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)C#N
BDBM50323302 COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50323303 Fc1cc(cc(c1)C(=O)Nc1cccc(n1)C(F)(F)F)C#N
BDBM50323304 Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)n1)C#N
BDBM50323305 Cc1cc(C)nc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323306 Cc1ccnc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323307 Cc1cccnc1NC(=O)c1cc(F)cc(c1)C#N
BDBM50323546 Nc1nccc(\C=C\c2ccccc2)n1
BDBM50323295 Fc1cc(cc(c1)C(=O)NC1C2CC3CC(C2)CC1C3)C#N |TLB:9:10:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.19:10,17:15:12:19.18.10,17:18:12:16.14.15,(14.33,-18.54,;14.33,-17,;15.67,-16.23,;15.67,-14.68,;14.33,-13.91,;13,-14.68,;13,-16.23,;11.67,-13.91,;11.67,-12.37,;10.33,-14.69,;9,-13.92,;8.98,-12.43,;10.16,-11.14,;8.67,-11.58,;7.26,-11.02,;6.25,-12.31,;7.65,-11.95,;6.26,-13.84,;7.66,-14.41,;8.69,-13.17,;17,-13.9,;18.32,-13.13,)|
BDBM50323308 Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50323309 Fc1cc(cc(c1)C(=O)Nc1ccon1)C#N
BDBM50323310 Cn1ccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50323311 Fc1cc(cc(c1)C(=O)Nc1nccs1)C#N
BDBM50323312 Fc1cc(cc(c1)C(=O)Nc1ccncc1)C#N
BDBM50323313 Fc1cc(cc(c1)C(=O)Nc1cccnc1)C#N
BDBM50323314 Fc1cc(cc(c1)C(=O)Nc1ccccn1)C#N
BDBM50323315 Fc1cc(Cl)cc(NC(=O)c2cc(F)cc(c2)C#N)c1
BDBM50323316 Fc1cc(cc(c1)C(=O)Nc1cc(Cl)ccc1F)C#N
BDBM50323385 Clc1cccc(NC(=O)O\N=C(\C(CN2CCOCC2)C2CCCCC2)C2CCCCC2)c1
BDBM50323386 Cc1nccn1CC(C1CCCCC1)C(=N\OC(=O)Nc1cccc(Cl)c1)\C1CCCCC1
BDBM50323387 Clc1cccc(NC(=O)O\N=C(\C(Cc2ccncc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323923 CO\N=C1/CCCC(=C1)C#Cc1csc(CF)n1 |c:7|
BDBM50323924 CO\N=C1/CCCC(=C1)C#Cc1nccs1 |c:7|
BDBM50323925 FCCOCCO\N=C1/CCCC(=C1)C#Cc1cscn1 |c:12|
BDBM50323926 Cc1nc(cs1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:9|
BDBM50323274 Fc1cc(cc(c1)C(=O)Nc1ccc(F)c(Cl)c1)C#N
BDBM50323363 Cc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323364 Cc1cccc(NC(=O)O\N=C(\C(Cc2cccc(F)c2)C2CCCCC2)C2CCCCC2)c1
BDBM50323365 Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323366 Fc1cccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)c1
BDBM50323367 CN(C)c1ccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)cc1
BDBM50323368 FC(F)(F)c1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323369 O=C(Nc1cccc(c1)C#N)O\N=C(\C(Cn1ccnc1)C1CCCCC1)C1CCCCC1
BDBM50323370 Fc1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323371 Clc1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323372 Cc1cn(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)cn1
BDBM50323373 Clc1cccc(NC(=O)O\N=C(\C(Cc2cccnc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323374 Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccn2)C2CCCCC2)C2CCCCC2)c1
BDBM50323375 Clc1cccc(NC(=O)O\N=C(\C(Cc2cc[nH]c2)C2CCCCC2)C2CCCCC2)c1
BDBM50323376 Clc1cccc(NC(=O)O\N=C(\C(Cc2ccco2)C2CCCCC2)C2CCCCC2)c1
BDBM50323377 Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1
BDBM50323378 Clc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
BDBM50323379 Fc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
BDBM50323380 Cc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
BDBM50323381 COc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
BDBM50323382 O=C(Nc1ccccc1)O\N=C1/CCCCC1Cn1ccnc1
BDBM50323383 O=C(Nc1ccccc1)O\N=C(\C(CN1CCN(CC1)c1ccccc1)C1CCCCC1)C1CCCCC1
BDBM50323384 O=C(Nc1ccccc1)O\N=C(\C(CN1CCc2ccccc2C1)C1CCCCC1)C1CCCCC1
BDBM50312137 COCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50312138 Oc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
BDBM50312139 COc1cc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc(OC)c1
BDBM50312140 COc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312141 Clc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
BDBM50312142 O=C(Nc1cccnc1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312143 O=C(Nc1ccccn1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312144 Fc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312145 Fc1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
BDBM50312146 O=C(NC1CC1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312147 O=C(NC1CC2CCC1C2)c1cccc(c1)N1C(=O)c2ccccc2C1=O |TLB:2:3:7.6:9|
BDBM50312148 Oc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
BDBM50312149 Clc1ccc(NC(=O)c2ccc(Br)o2)cc1-c1nc2ccccc2[nH]1
BDBM50339065 O=C(COCc1ccccc1)N1CCN(CC1)c1ccccn1
BDBM50339066 FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50339067 COc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50339068 O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1C#N
BDBM50339069 COC(=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50339070 [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50339071 O=C(COCc1ccccc1)N1CCN(CC1)c1ncccc1C#N
BDBM50339072 O=C(COCc1ccccc1)N1CCN(CC1)c1nccs1
BDBM50339073 O=C(COCc1ccccc1)N1CCN(CC1)c1nc2ccccc2s1
BDBM50339074 O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
BDBM50339075 O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
BDBM50331993 Clc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50336827 Nc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50336828 Nc1nc(cs1)C#Cc1cccc(CC#N)c1
BDBM50336829 COc1cccc(c1)C#Cc1csc(N)n1
BDBM50336830 Clc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50336831 Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N
BDBM50336832 Clc1nc(cs1)C#Cc1cccc(CC#N)c1
BDBM50336833 COc1cccc(c1)C#Cc1csc(Cl)n1
BDBM50336834 Brc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50336835 Fc1cc(cc(c1)C#Cc1csc(Br)n1)C#N
BDBM50336836 Brc1nc(cs1)C#Cc1cccc(CC#N)c1
BDBM50336837 COc1cccc(c1)C#Cc1csc(Br)n1
BDBM50336838 Ic1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50337957 OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
BDBM50337958 Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
BDBM50336839 Fc1cc(cc(c1)C#Cc1csc(I)n1)C#N
BDBM50336840 Ic1nc(cs1)C#Cc1cccc(CC#N)c1
BDBM50336841 COc1cccc(c1)C#Cc1csc(I)n1
BDBM50336842 Fc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50336844 Fc1nc(cs1)C#Cc1cccc(CC#N)c1
BDBM50336845 COc1cccc(c1)C#Cc1csc(F)n1
BDBM50336846 Fc1nc(cs1)C#Cc1ccccc1
BDBM50336826 Nc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50336921 CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50342735 CCCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50342737 CCCCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
BDBM50342738 Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(-c2ccccc2)c(c1)C#N)-c1ccccc1
BDBM50342739 Fc1cccc(c1)-c1ccc(cc1C#N)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
BDBM50342740 Fc1ccc(cc1)-c1ccc(cc1C#N)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
BDBM50342741 Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(c(c1)C#N)-c1cccc2ccccc12)-c1ccccc1
BDBM50342742 Fc1cc(F)cc(c1)-c1ccnc(c1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
BDBM50342736 Cc1ccc(NC(=O)c2cc(F)cc(c2)C#N)nc1
BDBM50342430 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342457 Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342460 COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342466 Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1cccs1 |r|
BDBM50342467 O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(no1)-c1ccccn1 |r|
BDBM50342478 Fc1ccc(C(=O)N2CCC[C@@H](C2)c2nc(no2)-c2ccccn2)c(F)c1 |r|
BDBM50334106 COc1ccc(cc1C#Cc1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccncn1
BDBM50334107 COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334108 COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccc(C)cn1
BDBM50334109 COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334110 COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334111 COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
BDBM50334112 COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccncn1
BDBM50334113 COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334114 Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334115 COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncn1
BDBM50334116 Cc1ccc(nc1)N1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccc1
BDBM50334117 O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccn1
BDBM50334118 O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccc1
BDBM50334119 O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1
BDBM50334120 Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
BDBM50334121 COc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334122 O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1
BDBM50334123 Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334124 O=C(N1CCN(CC1)c1ccncn1)c1cccc(c1)C#Cc1ccccc1
BDBM50334125 Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334126 COc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
BDBM50334105 COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1
BDBM50345918 Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345919 Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345920 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345921 Brc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345922 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345923 Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345924 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345925 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCCOc2c1
BDBM50345926 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCOc2c1
BDBM50345927 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
BDBM50345928 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1
BDBM50345929 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2occc2c1
BDBM50345930 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2sccc2c1
BDBM50345931 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345932 Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345933 Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345934 Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345935 COc1cc(ccc1F)-n1cnc2c3c(NCC=C)ccnc3sc2c1=O
BDBM50345936 Fc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345937 CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345938 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC=C)c23)c1=O
BDBM50345939 CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345940 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345941 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50345942 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
BDBM50345943 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345944 COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
BDBM50345945 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
BDBM50345946 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12
BDBM50345947 Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345948 Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345949 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345950 Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345951 COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345952 CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345953 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC#C)c23)c1=O
BDBM50345954 CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345955 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345956 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50345957 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
BDBM50345958 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345959 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
BDBM50345960 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccccc4)c3=O)c12
BDBM50345961 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccncc4)c3=O)c12
BDBM50345962 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
BDBM50345963 CC(=C)CNc1ncnc2sc3c(ncn(-c4cccc(Cl)c4)c3=O)c12
BDBM50345964 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5scnc5c4)c3=O)c12
BDBM50345965 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5ncsc5c4)c3=O)c12
BDBM50345966 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12
BDBM50345967 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
BDBM50358179 Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
BDBM50345550 Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
BDBM50345551 Cc1nc(cs1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
BDBM50345552 Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N
BDBM50345553 Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N
BDBM50345554 Cc1nc(cs1)C#Cc1cc(I)cc(c1)C#N
BDBM50345555 Cc1nc(cs1)C#Cc1cc(F)cc(c1)[N+]([O-])=O
BDBM50345556 Cc1nc(cs1)C#Cc1cc(I)cc(c1)[N+]([O-])=O
BDBM50345557 Cc1nc(cs1)C#Cc1cc(F)cc(Br)c1
BDBM50345558 Cc1nc(cs1)C#Cc1cc(Br)cc(Br)c1
BDBM50345559 Cc1cccc(n1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
BDBM50345560 Cc1cccc(n1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
BDBM50345561 Cc1cccc(n1)C#Cc1cc(Cl)cc(c1)C#N
BDBM50345562 Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
BDBM50345563 Cc1cccc(n1)C#Cc1cc(I)cc(c1)C#N
BDBM50345564 Cc1ccc(nc1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
BDBM50345565 Cc1ccc(nc1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
BDBM50345566 Cc1ccc(nc1)C#Cc1cc(Cl)cc(c1)C#N
BDBM50345567 Cc1ccc(nc1)C#Cc1cc(F)cc(c1)C#N
BDBM50345568 Cc1ccc(nc1)C#Cc1cc(Br)cc(c1)C#N
BDBM50345569 [O-][N+](=O)c1cc(cc(c1)C#Cc1ccccn1)C#N
BDBM50345570 [O-][N+](=O)c1cc(Br)cc(c1)C#Cc1ccccn1
BDBM50345571 Clc1cc(cc(c1)C#Cc1ccccn1)C#N
BDBM50345572 Fc1cc(cc(c1)C#Cc1ccccn1)C#N
BDBM50345573 Ic1cc(cc(c1)C#Cc1ccccn1)C#N
BDBM50345574 [O-][N+](=O)c1cc(F)cc(c1)C#Cc1ccccn1
BDBM50345575 [O-][N+](=O)c1cc(I)cc(c1)C#Cc1ccccn1
BDBM50364690 CCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50364691 CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50364692 COc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50364693 COc1ccc(cc1)-n1ccc2c(sc3nccc(NCCO)c23)c1=O
BDBM50364694 COCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50364695 COc1ccc(cc1)-n1ccc2c(sc3nccc(NC[C@@H](C)O)c23)c1=O |r|
BDBM50364696 COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)CCO)c23)c1=O
BDBM50364697 CNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364698 CNc1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
BDBM50364699 CNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50364700 CNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
BDBM50364701 CNc1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
BDBM50364702 CNc1ccnc2sc3c(ccn(-c4ccc(OC)c(F)c4)c3=O)c12
BDBM50364703 CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12
BDBM50364704 CNc1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
BDBM50364705 CCNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364706 Cc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50364707 CCNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50364708 Clc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50364709 CCNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
BDBM50364710 Brc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50364711 COc1ccc(cc1)-n1ccc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50364712 CNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50364713 CCNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50364714 COc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50364715 CN(C)c1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364716 CNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364717 CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364718 Cc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50364719 COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364720 CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364721 CN(C)c1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
BDBM50364722 CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50364723 CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
BDBM50364724 CN(C)c1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
BDBM50364725 CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364726 CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
BDBM50364727 COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364728 COc1ccc(c(F)c1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364729 CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
BDBM50364730 CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
BDBM50364731 COc1ccc(cc1)-n1ccc2c3c(OC)ccnc3sc2c1=O
BDBM50364732 COc1cccc(c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
BDBM50364733 COc1ccccc1-n1ccc2c3c(OC)ccnc3sc2c1=O
BDBM50364734 COc1ccnc2sc3c(ccn(-c4ccccc4C)c3=O)c12
BDBM50364735 COc1ccc(c(C)c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
BDBM50364736 CCc1ccc(cc1)-n1ccc2c(sc3nccc(OC)c23)c1=O
BDBM50364737 COc1ccnc2sc3c(ccn(-c4ccc(cc4)C4CC4)c3=O)c12
BDBM50364738 COc1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
BDBM50364739 CCn1ccc2c(sc3nccc(OC)c23)c1=O
BDBM50364740 COc1ccc(cc1)-n1ccc2c(sc3nccc(O)c23)c1=O
BDBM50364741 CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
BDBM50373179 N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373180 N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373181 N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373182 N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50371237 CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1
BDBM50366854 COc1cncc(c1)C#Cc1ccccn1
BDBM50379862 COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50398728 OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
BDBM50398743 COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
BDBM50398744 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
BDBM50388957 COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
BDBM50388958 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
BDBM50388959 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
BDBM50392425 CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
BDBM50392427 CCCCOc1ccc(cc1)C(=O)Nc1ncc(F)cc1F
BDBM50392426 CCCCOc1ccc(cc1)C(=O)NC1CCCCC1
BDBM50392428 CCCCOc1ccc(cc1)C(=O)NC1CCC1
BDBM50392429 CCCCOc1ccc(cn1)C(=O)Nc1ccc(F)cc1F
BDBM50392430 CCCCOc1ccc(cn1)C(=O)NC1CCCCC1
BDBM50392431 CCCCOc1ccc(cn1)C(=O)Nc1ccc(F)cn1
BDBM50392432 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
BDBM50392434 CCCCCOc1ccc(cn1)C(=O)NC1CCCCC1
BDBM50392435 CCC(C)COc1ccc(cn1)C(=O)NC1CCCCC1
BDBM50392436 CC(C)CCOc1ccc(cn1)C(=O)NC1CCCCC1
BDBM50392437 O=C(NC1CCCCC1)c1ccc(OCC2CCCC2)nc1
BDBM50392438 O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
BDBM50392439 Fc1cccc(COc2ccc(cn2)C(=O)NC2CCCCC2)c1
BDBM50392440 Fc1ccc(COc2ccc(cn2)C(=O)NC2CCCCC2)cc1
BDBM50392441 O=C(NC1CCOCC1)c1ccc(OCc2ccccc2)nc1
BDBM50392442 Fc1cccc(COc2ccc(cn2)C(=O)NC2CCOCC2)c1
BDBM50392443 O=C(NC1CCC1)c1ccc(OCc2ccccc2)nc1
BDBM50392444 Fc1cccc(COc2ccc(cn2)C(=O)NC2CCC2)c1
BDBM50392445 CC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
BDBM50392446 C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 |r|
BDBM50392447 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 |r|
BDBM50392448 Fc1cccc(COc2ccc(cn2)C(=O)N[C@@H](C2CC2)C(F)(F)F)c1 |r|
BDBM50395546 CCO\N=C1\C=C(CCC1F)C#Cc1ccccn1 |c:5|
BDBM50395547 CO\N=C1\C=C(CCC1F)C#Cc1cccc(C)n1 |c:4|
BDBM50395548 CO\N=C1\C=C(CCC1F)C#Cc1ccccn1 |c:4|
BDBM50395937 Cc1nc(cs1)-c1cccnc1
BDBM50395922 Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
BDBM50395923 Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
BDBM50395544 CCO\N=C1/C=C(CCC1F)C#Cc1ccccn1 |c:5|
BDBM50395545 CCO\N=C1\C=C(CCC1F)C#Cc1cccc(C)n1 |c:5|
BDBM50400330 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
BDBM50400331 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
BDBM50400332 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
BDBM50402787 CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
BDBM50402788 CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
BDBM50402790 Fc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50402791 CS(=O)(=O)N(CC(=O)Nc1ccc(F)nc1)c1ccccc1Cl
BDBM50402792 CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl
BDBM50402793 Fc1cccc(c1)C#Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50402794 CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1ccccn1
BDBM50402795 Cn1cnc(c1)S(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
BDBM50402796 Fc1ccccc1S(=O)(=O)N1[C@@H](CCc2ccccc12)C(=O)Nc1cccc(Cl)c1 |r|
BDBM50402797 CCS(=O)(=O)N1[C@@H](CCc2ccccc12)C(=O)Nc1cccc(Cl)c1 |r|
BDBM50402798 CCCC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
BDBM50402799 CCC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
BDBM50402800 CC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
BDBM50402801 CS(=O)(=O)N(CC(=O)Nc1ccc(F)cn1)c1ccccc1Cl
BDBM50402802 CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
BDBM50401676 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401677 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50416888 CCC(=O)Oc1ccc(cc1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416889 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1C |r|
BDBM50416890 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)c(Br)c1 |r|
BDBM50416891 CCCOc1ccccc1[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416892 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Cl)ccc1OC |r|
BDBM50416893 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1 |r|
BDBM50416894 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1OC |r|
BDBM50416895 CCC(=O)Oc1ccc(Cl)cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416896 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)ccc1OC |r|
BDBM50416897 CCOc1ccc(Br)cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416898 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(C)n1 |r|
BDBM50416899 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1OC |r|
BDBM50416900 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccs1 |r|
BDBM50416901 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(C)o1 |r|
BDBM50416902 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccnc1 |r|
BDBM50416903 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(OC)c1 |r|
BDBM50416904 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(C)s1 |r|
BDBM50416905 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccn1 |r|
BDBM50416906 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cc(Br)ccc2OC)n1 |r|
BDBM50416907 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccccn2)n1 |r|
BDBM50416908 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccc(SC)cc2)n1 |r|
BDBM50416909 COc1ccc([C@@H]2Oc3nc(SCC=C)nnc3-c3ccccc3N2C(C)=O)c(OC)c1OC |r|
BDBM50416910 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(C)n1 |r|
BDBM50416911 CCC(=O)Oc1ccc(Br)c(c1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416912 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccs2)n1 |r|
BDBM50416913 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccco2)n1 |r|
BDBM50416914 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1sccc1C |r|
BDBM50416915 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc2OCOc2cc1Cl |r|
BDBM50416916 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(OCc3ccccc3)c2)n1 |r|
BDBM50416917 CCCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccccc2F)n1 |r|
BDBM50416918 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccnc1 |r|
BDBM50416919 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1sccc1C |r|
BDBM50416920 CCCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1 |r|
BDBM50416921 CCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1 |r|
BDBM50416922 CCSc1nnc-2c(O[C@@H](C)N(C(C)=O)c3ccccc-23)n1 |r|
BDBM50416923 COc1ccc(cc1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416924 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2F)n1 |r|
BDBM50416925 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccc(C)s1 |r|
BDBM50416926 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Br)cc2)n1 |r|
BDBM50416927 CCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416928 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Cl)cc2)n1 |r|
BDBM50416929 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccn2C)n1 |r|
BDBM50416930 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC)c(Br)c2)n1 |r|
BDBM50416931 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC)cc2OC)n1 |r|
BDBM50416932 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OCc3ccccc3)cc2)n1 |r|
BDBM50416933 CCOc1cc(ccc1OC(C)=O)[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416934 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(Cl)ccc2OC(C)=O)n1 |r|
BDBM50416935 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Cl)cc2)n1 |r|
BDBM50416936 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)cc2)n1 |r|
BDBM50416937 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)c2OC(C)=O)n1 |r|
BDBM50416938 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(cc2)N(C)C)n1 |r|
BDBM50416939 CCC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccn1 |r|
BDBM50416940 CCSc1nnc-2c(O[C@@H](\C=C\c3ccco3)N(C(C)=O)c3ccccc-23)n1 |r|
BDBM50416941 CCC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccs1 |r|
BDBM50416942 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(Br)ccc2OC)n1 |r|
BDBM50416943 CCCC(=O)N1[C@@H](Oc2nc(SCC)nnc2-c2ccccc12)c1cccs1 |r|
BDBM50416944 CCOc1cc(ccc1OC(=O)CC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416945 CCOC(=O)COc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416946 CCCCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416947 CSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cn(C(C)=O)c3ccccc23)n1 |r|
BDBM50416948 CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)c(OC)c2)n1 |r|
BDBM50416949 CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cc3OCOc3cc2Br)n1 |r|
BDBM50416950 CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccccc2C)n1 |r|
BDBM50416951 CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cccnc2)n1 |r|
BDBM50416952 CCCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccccc2OC(C)=O)n1 |r|
BDBM50416953 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(OC(C)=O)ccc2Cl)n1 |r|
BDBM50416954 CCCOc1ccccc1[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416955 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccco2)n1 |r|
BDBM50416956 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cn(C)c3ccccc23)n1 |r|
BDBM50416957 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)c(Br)c2)n1 |r|
BDBM50416958 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)n2)n1 |r|
BDBM50416959 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccn2)n1 |r|
BDBM50416960 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OCC=C)cc2)n1 |r|
BDBM50416961 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)cc2)n1 |r|
BDBM50416962 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(Oc3ccccc3)c2)n1 |r|
BDBM50416963 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2C)n1 |r|
BDBM50416964 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccsc2)n1 |r|
BDBM50416965 COc1ccc(OC)c(c1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416966 CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(OC)c(OC)cc2Cl)n1 |r|
BDBM50416967 CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
BDBM50416968 CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccsc2)n1 |r|
BDBM50416969 CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)n2)n1 |r|
BDBM50416970 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2F)n1 |r|
BDBM50416971 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)\C=C\c1cccs1 |r|
BDBM50416972 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccc1F |r|
BDBM50416973 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)\C=C\c1ccccc1 |r|
BDBM50416974 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccs1 |r|
BDBM50416975 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccco1 |r|
BDBM50416976 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccc1 |r|
BDBM50416977 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccn1 |r|
BDBM50416978 CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccc(OCC=C)cc1 |r|
BDBM50416979 CN(C)c1ccc(cc1)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416980 CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccncc2)n1 |r|
BDBM50416981 CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2OC)n1 |r|
BDBM50416982 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(F)c2)n1 |r|
BDBM50416983 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2c(C)[nH]c3ccccc23)n1 |r|
BDBM50416984 CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
BDBM50416985 CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)s2)n1 |r|
BDBM50416986 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(Br)s1 |r|
BDBM50416987 CCOc1cc(ccc1OC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416988 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1Br |r|
BDBM50416989 CCOc1cc(cc(Br)c1OC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
BDBM50416990 CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(F)c2)n1 |r|
BDBM50416991 CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
BDBM50416992 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)c(C)c1 |r|
BDBM50416993 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Br)c(OC)c(OC)c1 |r|
BDBM50416994 CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccc(OC)c2)n1 |r|
BDBM50416995 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1F |r|
BDBM50416996 CCOc1cc(ccc1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416997 CC(=O)Oc1ccc(C)cc1[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50416998 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50416999 CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(cc1)C(=O)OC |r|
BDBM50417000 CCOc1ccc(cc1OC)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50417001 COc1cc(cc(Br)c1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
BDBM50417002 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccco1 |r|
BDBM50417003 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(I)o1 |r|
BDBM50416260 Cc1ccc(s1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
BDBM50416261 Clc1cccc(c1)-n1nnc(n1)C1CCCN(C1)C(=O)c1cccs1
BDBM50416262 Fc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
BDBM50416263 Clc1cccc(c1)-n1nnc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50416264 Clc1cccc(c1)-n1nnc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50416265 Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
BDBM50416266 Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
BDBM50416267 Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
BDBM50416268 Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
BDBM50416269 Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
BDBM50416270 Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
BDBM50416271 Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
BDBM50416272 Cc1ccc(o1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
BDBM50416273 CC(C)C(=O)N1CCCCC1c1nnn(n1)-c1cccc(Cl)c1
BDBM50416274 O=C(C1CCC1)N1CCCCC1c1nnn(n1)-c1cccc(c1)C#N
BDBM50416275 Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(Cl)c1
BDBM50416276 Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCC1
BDBM50416277 COCC(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
BDBM50416278 O=C(N1CCCCC1c1nc(no1)-c1cccc(c1)C#N)c1cccs1
BDBM50416279 Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccco1
BDBM50417004 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(Cl)cc1 |r|
BDBM50417005 CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Cl)c(OC)c(OC)c1 |r|
BDBM50426289 N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
BDBM50426290 N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
BDBM50426285 CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426287 NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426288 NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50420358 N#Cc1cccc(c1)C#Cc1cccc(n1)C#N
BDBM50420359 CCc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420360 CCCCc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420361 COc1cc(cc(c1)C#Cc1cccc(C)n1)C#N
BDBM50420362 Fc1cc(cc(c1)C#Cc1cccc(n1)C#N)C#N
BDBM50420363 OCc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
BDBM50420364 COc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
BDBM50420365 CC(=O)c1cccc(n1)C#Cc1cc(F)cc(c1)C#N
BDBM50420366 Fc1cc(cc(c1)C#Cc1cccc(F)n1)C#N
BDBM50420367 N#Cc1cncc(c1)C#Cc1cccc(n1)C#N
BDBM50420368 COc1cccc(n1)C#Cc1cncc(c1)C#N
BDBM50420369 OCc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420370 COc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420371 CC(=O)c1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420372 Fc1cccc(n1)C#Cc1cccc(c1)C#N
BDBM50420373 OCc1cccc(n1)C#Cc1cncc(c1)C#N
BDBM50420374 NC(=O)c1cc(F)cc(c1)C#Cc1cccc(n1)C#N
BDBM50420375 NC(=O)c1cccc(c1)C#Cc1cccc(n1)C#N
BDBM50429650 CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429412 Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
BDBM50429413 Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
BDBM50429414 Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429415 Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1 |r|
BDBM50429416 O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
BDBM50422814 CC(OC(=O)c1cn2CCN(Cc3ccccc3)C(=O)c2c1C)C(C)(C)C
BDBM50422815 CC(OC(=O)c1cn2CCN(CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1C)C(C)(C)C
BDBM50422816 CC(OC(=O)c1cn2CCN(CCNC(=O)OC(C)(C)C)C(=O)c2c1C)C(C)(C)C
BDBM50422817 CC(OC(=O)c1cn2CCN(CC(F)F)C(=O)c2c1C)C(C)(C)C
BDBM50422818 CC(OC(=O)c1cn2CCN(CCCNC(C)=O)C(=O)c2c1C)C(C)(C)C
BDBM50422819 CC(OC(=O)c1cn2CCN(CCCNC(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
BDBM50422820 CC(OC(=O)c1cn2CCN(CCCN(C)C(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
BDBM50422821 CC(OC(=O)c1cn2CCN(N3CCOCC3)C(=O)c2c1C)C(C)(C)C
BDBM50422822 CCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
BDBM50422823 CCNC(=O)NCCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
BDBM50422824 CC(OC(=O)c1cn2CCN(CC=C)C(=O)c2c1C)C(C)(C)C
BDBM50422825 CC(OC(=O)c1cn2CCN(CC3CC3)C(=O)c2c1C)C(C)(C)C
BDBM50422826 CC(OC(=O)c1cn2CCN(CCF)C(=O)c2c1C)C(C)(C)C
BDBM50422827 COCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
BDBM50442525 Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
BDBM50022759 Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
BDBM50022760 O=C1NCCc2nc(COc3ccccc3)ccc12
BDBM50022762 Fc1cccc(OCc2ccc3C(=O)NCCc3n2)c1
BDBM50022763 Fc1cccc(OCc2ccc3C(=O)N(CC4CC4)CCc3n2)c1
BDBM50022765 Fc1cccc(OCc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1
BDBM50022767 Fc1ccc(cc1)C(=O)N1CCc2ncc(OCc3ccccc3)cc2C1
BDBM50022768 Fc1cccc(COc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1
BDBM50022769 O=C1N(Cc2ccccc2)CCc2nc(OCc3ccccc3)ccc12
BDBM50022770 CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1
BDBM50022771 Fc1ccc(OCc2cnc3CCN(Cc3c2)C(=O)c2ccc(F)cc2)cc1
BDBM50022778 Fc1cccc(COc2cnc3CCN(Cc3c2)C(=O)c2cccc(F)c2)c1
BDBM50022779 Fc1ccccc1COc1ccc2C(=O)NCCc2n1
BDBM50022780 CC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O
BDBM50022782 Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3cccc(F)c3)cc2C1
BDBM50022783 O=C1NCCc2nc(OCc3ccccc3)ccc12
BDBM50022796 Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3ccccc3)cc2C1
BDBM50022797 Fc1ccc(nc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O
BDBM50022798 Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)cnc2C1=O
BDBM50022813 Fc1cccc(COc2ccc3C(=O)N(CC4CCC4)CCc3n2)c1
BDBM50022814 Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)ncc2C1=O
BDBM50022816 Fc1ccc(nc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O
BDBM50022818 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)ccc2C1=O
BDBM50022819 Fc1ccc(cc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O
BDBM50022820 Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O
BDBM50022821 Clc1cccc(COc2ccc3C(=O)NCCc3n2)c1
BDBM50017264 CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
BDBM50064431 Fc1ccc(OCc2cn3c(CCN(C3=O)c3ccc(F)cc3)n2)cc1
BDBM50064434 Cc1nc(ccc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064446 Fc1ccc(cc1)-n1ccc2nc(COc3cccnc3)cn2c1=O
BDBM50064449 Fc1ccc(OCc2cn3c(ccn(-c4ccc(F)cc4)c3=O)n2)cc1
BDBM50064458 Cc1ccc(nc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064470 Cn1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50066736 Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N
BDBM50066739 Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N
BDBM50066742 CS(=O)(=O)Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066751 Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066759 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccnc1
BDBM50066501 COc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066504 Fc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066668 Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066719 Oc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50066726 Nc1cnc2sc(c(-c3cnccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50066734 Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50047382 CCCCC1(O)CCCn2nc(COc3ccccc3)cc12
BDBM50047383 C(Oc1ccccc1)c1cc2C(CCCn2n1)NC1CC1
BDBM50047384 CC1CCn2nc(COc3ccccc3)cc2C1(C)O
BDBM50047385 OC1(CCCn2nc(COc3ccccc3)cc12)c1ccccc1
BDBM50047386 C(Oc1ccccc1)c1cc2C(CCCn2n1)OCc1ccccc1
BDBM50047387 CC(C)N1CCN(CC1)C1CCCn2nc(COc3ccccc3)cc12
BDBM50047388 COC1c2cc(COc3ccccc3)nn2CCC1(C)C
BDBM50047389 CN(Cc1ccccc1)C1CCCn2nc(COc3ccccc3)cc12
BDBM50047390 COc1ccccc1C1(C)CCn2nc(COc3ccccc3)cc2C1=O
BDBM50047391 C(NC1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
BDBM50047392 Clc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
BDBM50047394 O=C1CCCn2nc(COc3ccccc3)cc12
BDBM50047395 C(NC1CCCn2nc(OCc3ccccc3)cc12)c1ccccc1
BDBM50047396 O=C1CCCc2nc(COc3ccccc3)sc12
BDBM50047398 COc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
BDBM50047399 CC1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50047400 Fc1cccc(CNC2CCCn3nc(COc4ccccc4)cc23)c1
BDBM50047402 CC1(CCn2nc(COc3ccccc3)cc2C1=O)c1ccc(F)cc1
BDBM50066723 Nc1cnc2sc(c(-c3c(F)cncc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.61,-2.27,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;-.05,-3.42,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50066750 COc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50047403 CC1(C)CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50047405 Fc1ccc(cc1)C1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50047406 CC1(C)CCn2nc(COc3ccccc3)cc2C1=O
BDBM50047407 O=C1c2cc(COc3ccccc3)nn2CCC11CCCC1
BDBM50047408 COc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50047409 Fc1ccc(cc1)C1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50047410 O=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1
BDBM50047411 NC1CCCn2nc(COc3ccccc3)cc12
BDBM50066722 Fc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50047691 Nc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1
BDBM50047692 Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)ccn3)n2)c1
BDBM50047693 Cc1ccnc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047694 Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)n3)n2)c1
BDBM50047695 Cc1cccc(n1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047696 Cc1nc(cs1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047697 Cc1csc(n1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50066439 CN(C)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066440 CC(C)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066442 FC(F)(F)c1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066443 FC(F)(F)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066498 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066499 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(cc1)C#N
BDBM50066500 COc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066502 Cc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50047698 Cc1cc(cs1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047700 Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50047701 Cc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50047702 Cc1ccc(s1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50047703 Fc1cncc(Oc2cncc(NC(=O)c3cnccn3)n2)c1
BDBM50047705 Fc1cncc(Oc2cncc(NC(=O)c3ccncn3)n2)c1
BDBM50047706 Fc1cncc(Oc2cncc(NC(=O)c3ncccn3)n2)c1
BDBM50047707 Fc1cncc(Oc2cncc(NC(=O)c3cccnn3)n2)c1
BDBM50047709 Fc1cncc(Oc2cncc(NC(=O)c3cccnc3)n2)c1
BDBM50066503 Cc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066505 Fc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066506 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(Cl)c1
BDBM50066507 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccccc1
BDBM50066516 Clc1cccc(NC(=O)O\N=C2/CCCCC2Cc2cccs2)c1
BDBM50066517 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cnccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
BDBM50066518 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cnccc1Cl)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
BDBM50066724 Nc1cnc2sc(c(-c3ccncc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50066725 Nc1cnc2sc(c(-c3ccncc3Cl)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50066727 Nc1cnc2sc(c(-c3cnccc3Cl)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50066728 Nc1cnc2sc(c(-c3cc(F)cc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066729 Nc1cnc2sc(c(-c3ccc(F)c(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066730 Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
BDBM50047710 Fc1cncc(Oc2cncc(NC(=O)c3ccccn3)n2)c1
BDBM50047711 Fc1cncc(Oc2cncc(NC(=O)c3cscn3)n2)c1
BDBM50047712 Fc1cncc(Oc2cncc(NC(=O)c3nccs3)n2)c1
BDBM50047714 Fc1cncc(Oc2cncc(NC(=O)c3ccsc3)n2)c1
BDBM50047715 Fc1cncc(Oc2cncc(NC(=O)c3cccs3)n2)c1
BDBM50047729 O=C(Nc1cncc(Oc2cncnc2)n1)c1ccsc1
BDBM50047743 O=C(Nc1cncc(Oc2cncnc2)n1)c1cccs1
BDBM50047750 COc1cc(OC)cc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047755 Cc1cc(C)cc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50066521 Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066519 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
BDBM50066520 Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066525 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cccc(Cl)c1)C#N
BDBM50066731 Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066732 Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066733 Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066735 Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cccc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
BDBM50066737 Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N
BDBM50066738 Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N
BDBM50066740 Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1ccc(Cl)cc1 |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
BDBM50047899 Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)c1
BDBM50047900 Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(F)c3)n2)c1
BDBM50047901 Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)ccc3F)n2)c1
BDBM50047902 Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(Cl)c3)n2)c1
BDBM50047904 Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)c3F)n2)c1
BDBM50047905 CN(C)c1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047907 Fc1cncc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)c1
BDBM50047908 Cc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50066362 Cc1ccc(cc1C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066557 O=S(=O)(c1sc2ncccc2c1-c1cccc(c1)C#N)c1cccc(c1)C#N
BDBM50066664 Cc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066665 Clc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066666 Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066667 Fc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1 |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
BDBM50066669 Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066670 Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1Cl |(7.07,5.14,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;7.25,2.74,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,)|
BDBM50066741 Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066743 Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066744 Clc1ccc(cc1)-c1c(sc2ncc(Cl)cc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066745 Fc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066746 CN(C)c1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066747 Nc1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066748 Fc1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066749 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccoc1)C#N
BDBM50047911 Fc1cncc(Oc2cncc(NC(=O)c3ccccc3)n2)c1
BDBM50047912 Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)c1
BDBM50047913 COc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50047914 Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50066364 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C(F)(F)F
BDBM50066366 Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C#N
BDBM50066367 Fc1cc(F)cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066369 COc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066432 Cc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066434 Cc1ccc(cc1Cl)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50066435 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
BDBM50066437 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1Cl
BDBM50066671 Fc1cccc(c1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066713 Fc1ccc(cc1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066714 Fc1ccc(cc1)-c1c(sc2nc(Cl)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
BDBM50066715 Oc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1
BDBM50066716 Fc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1
BDBM50066717 Nc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50066718 COc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50066720 Clc1ccc(cc1)-c1c(sc2nc(Cl)ccc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50066752 Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066753 Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
BDBM50066754 Clc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
BDBM50066755 Fc1ccncc1-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1 |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
BDBM50066756 Fc1ccc(-c2c(sc3ncccc23)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 |(3.28,-6.88,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,;3.72,-3.12,;4.61,-2.27,;4.09,-4.62,)|
BDBM50066758 Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1cccc(Cl)c1
BDBM50066760 Cc1cc(C)cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
BDBM50047372 OC1(CCCn2nc(COc3ccccc3)cc12)C(F)(F)F
BDBM50047373 CC1(C)CCn2nc(COc3ccccc3)cc2C1NCc1ccccc1
BDBM50047374 COC1CCCn2nc(COc3ccccc3)cc12
BDBM50047377 C(NC1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
BDBM50047378 C(OC1CCCn2nc(COc3ccccc3)cc12)C1CC1
BDBM50047379 CC1(C)CCn2nc(COc3ccccc3)cc2C1OCc1ccccc1
BDBM50047381 OC1CCCn2nc(COc3ccccc3)cc12
BDBM50066757 Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)c(Cl)c1
BDBM50049952 COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
BDBM50049953 O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
BDBM50050066 Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
BDBM50050067 Fc1ccc(COC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
BDBM50050068 Fc1ccc(CNC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
BDBM50050070 Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
BDBM50050071 Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50026040 O=C(Nc1ccccc1)ON=C1CCCCC1Cn1ccnc1
BDBM50047371 CC1(C)CCn2nc(COc3ccccc3)cc2C1O
BDBM50047375 C(NC1CCCn2nc(COc3ccccc3)cc12)c1cccnc1
BDBM50047380 C(Oc1ccccc1)c1cc2C(CCCn2n1)N1CCOCC1
BDBM50047393 FC1(F)CCCn2nc(COc3ccccc3)cc12
BDBM50047397 Fc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
BDBM50047401 C(Oc1ccccc1)c1cc2C(CCCn2n1)Nc1ccccc1
BDBM50047699 Brc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50047713 Fc1cncc(Oc2cncc(NC(=O)c3cncs3)n2)c1
BDBM50047716 O=C(Nc1cncc(Oc2cncnc2)n1)c1cscn1
BDBM50047746 Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(c3)C#N)n2)c1
BDBM50047903 Fc1cncc(Oc2cncc(NC(=O)c3ccc(F)c(Cl)c3)n2)c1
BDBM50047906 COc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047909 Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
BDBM50047915 O=C(Nc1cncc(Oc2cncnc2)n1)c1ccccc1
BDBM50049951 Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
BDBM50050065 Fc1ccc(cc1)-c1c(sc2ncccc12)C(=O)CCc1cccc(F)c1
BDBM50050069 Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
BDBM50064454 CN(C)c1cccc(n1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50047404 O=C1C(Cc2ccccc2)CCn2nc(COc3ccccc3)cc12
BDBM50064430 Cc1cccc(OCc2cn3c(CCN(C3=O)c3ccc(F)cc3)n2)c1
BDBM50064432 Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)cn2C1=O
BDBM50064433 Cc1cc(ncc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064435 Cc1ccc(nc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064436 Fc1ccc(nc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064442 Cc1cc(ccc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064443 Fc1cccc(c1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064444 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064445 Cc1cc2nc(COc3ccccc3)cn2c(=O)n1-c1ccc(F)cc1
BDBM50064447 Fc1ccc(cc1)-n1ccc2nc(COc3ccccn3)cn2c1=O
BDBM50064448 Cc1cccc(OCc2cn3c(ccn(-c4ccc(F)cc4)c3=O)n2)c1
BDBM50064450 Fc1ccc(cc1)-n1ccc2nc(COc3cccc(F)c3)cn2c1=O
BDBM50064452 Cc1cc(ncc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064453 Cc1nc(ccc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064456 Cc1ccnc(c1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064457 Cc1cccc(n1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064459 Fc1ccc(nc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064460 Fc1ccc(cc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064461 Fc1cccc(c1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064463 Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50064468 O=c1n(Cc2ccccc2)ccc2nc(COc3ccccc3)cn12
BDBM50064469 O=c1n(CC2CC2)ccc2nc(COc3ccccc3)cn12
BDBM50064471 O=c1[nH]ccc2nc(COc3ccccc3)cn12
BDBM50064472 Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)c(Cl)n2c1=O
BDBM50064473 Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12
BDBM50064474 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O
BDBM50064475 Cc1c(COc2ccccc2)nc2CCN(C(=O)n12)c1ccc(F)cc1
BDBM50122111 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1F |r|
BDBM50122167 C[C@@H]1CN(C(=O)c2cc(COc3ccccc3C)nn12)c1ccc(F)cc1 |r|
BDBM50122283 C[C@@H]1CN(C(=O)c2cc(COc3cccc(C)n3)nn12)c1ccc(F)cc1 |r|
BDBM50105803 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
BDBM50105830 Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
BDBM50105833 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
BDBM50105837 [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50105840 [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
BDBM50105844 [O-][N+](=O)c1ccc(C=C)nc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50122118 C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
BDBM50122126 C[C@@H]1CN(C(=O)c2cc(COc3ccccc3F)nn12)c1ccc(F)cc1 |r|
BDBM50122132 C[C@@H]1CN(C(=O)c2cc(COc3cccc(F)c3)nn12)c1ccc(F)cc1 |r|
BDBM50122165 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r|
BDBM50122166 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cc3F)nn12)c1ccc(F)cc1 |r|
BDBM50122168 C[C@@H]1CN(C(=O)c2cc(COc3cccc(C)c3)nn12)c1ccc(F)cc1 |r|
BDBM50122169 C[C@@H]1CN(C(=O)c2cc(COc3ccc(C)cc3)nn12)c1ccc(F)cc1 |r|
BDBM50122170 C[C@@H]1CN(C(=O)c2cc(COc3ccccc3Cl)nn12)c1ccc(F)cc1 |r|
BDBM50122171 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)nc1 |r|
BDBM50133679 CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50122173 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cncc(F)c1 |r|
BDBM50122176 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
BDBM50122254 COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
BDBM50122255 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(C)cc1 |r|
BDBM50122256 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(C)c1 |r|
BDBM50122257 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1C |r|
BDBM50122259 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(Cl)c1 |r|
BDBM50122261 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)c1 |r|
BDBM50122262 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1F |r|
BDBM50122263 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(F)cn1 |r|
BDBM50122264 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccncc1 |r|
BDBM50122266 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccn1 |r|
BDBM50122268 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cc(F)ccc1F |r|
BDBM50122269 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r|
BDBM50122270 COc1ccc(cc1)N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
BDBM50122271 COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
BDBM50122272 COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
BDBM50122273 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(C)cc1 |r|
BDBM50122275 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1C |r|
BDBM50122276 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(Cl)cc1 |r|
BDBM50122277 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(Cl)c1 |r|
BDBM50122278 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1Cl |r|
BDBM50122279 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r|
BDBM50122280 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1F |r|
BDBM50122177 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ncccc1C#N |r|
BDBM50122178 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ncccc1F |r|
BDBM50122179 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1 |r|
BDBM50122241 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r|
BDBM50122245 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(F)c1 |r|
BDBM50122246 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1c(F)cccc1F |r|
BDBM50122282 C[C@@H]1CN(C(=O)c2cc(COc3cccc(n3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
BDBM50122284 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cc1 |r|
BDBM50122285 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(F)cc1 |r|
BDBM50122286 COc1ccnc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)c1 |r|
BDBM50122287 C[C@@H]1CN(C(=O)c2cc(COc3cc(ccn3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
BDBM50122288 C[C@@H]1CN(C(=O)c2cc(COc3cc(C)ccn3)nn12)c1ccc(F)cc1 |r|
BDBM50122289 C[C@@H]1CN(C(=O)c2cc(COc3ccc(cc3)C#N)nn12)c1ccc(F)cc1 |r|
BDBM50122291 C[C@@H]1CN(C(=O)c2cc(COc3ccc(cc3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
BDBM50122248 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)c1F |r|
BDBM50122247 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cc1F |r|
BDBM50122250 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
BDBM50122252 COc1ccc(cc1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
BDBM50122253 COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
BDBM50122292 COc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
BDBM50122296 COc1cccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)c1 |r|
BDBM50122298 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cc3)nn12)c1ccc(F)cc1 |r|
BDBM50122312 C[C@@H]1CN(C(=O)c2cc(COc3cccc(Cl)c3)nn12)c1ccc(F)cc1 |r|
BDBM50122313 CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
BDBM50122314 C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1 |r|
BDBM50122315 C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1 |r|
BDBM50122316 C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1 |r|
BDBM50122317 COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1 |r|
BDBM50127965 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50133676 CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50139451 Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1
BDBM50133682 COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
BDBM50133685 O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50127985 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50128021 Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
BDBM50127993 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
BDBM50143540 Cc1cccc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)c1cccc(C)n1 |TLB:15:10:13.14.16:18,20:17:13:11.15.10,THB:15:14:18:11.10.19,19:10:13:16.17.18,19:17:13:11.15.10,9:10:13:16.17.18,9:10:13.14.16:18|
BDBM50143542 C[C@H]1N(CCc2sccc12)C(=O)c1cc2ncc(Br)cn2n1 |r|
BDBM50143543 Fc1ccc(cc1)-c1nc(Nc2nc3ccccc3o2)ncc1C#N
BDBM50122172 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cncc(c1)C#N |r|
BDBM50105801 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
BDBM50105802 [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
BDBM50105804 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cc(Cl)cc(c1)C#N
BDBM50105805 [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
BDBM50105806 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
BDBM50105829 Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
BDBM50105831 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50105832 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
BDBM50105834 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
BDBM50105835 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50105836 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1cnc2ccccc2n1
BDBM50105838 CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
BDBM50105839 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
BDBM50105841 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1-c1ccccc1
BDBM50105842 Cc1ccc(c(n1)N1CCN(CC1)C(=O)c1cccc(c1)-c1ccccc1)[N+]([O-])=O
BDBM50122265 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccnc1 |r|
BDBM50122267 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1c(F)cccc1F |r|
BDBM50122274 C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(C)c1 |r|
BDBM50122281 COc1cccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)n1 |r|
BDBM50122290 CCc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
BDBM50122297 COc1ccccc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1 |r|
BDBM50139450 Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1
BDBM50139452 Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
BDBM50139453 Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
BDBM50139454 Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(Cl)c(F)c1
BDBM50139455 Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
BDBM50139456 CC1CCN(CC1)c1c(cnc2ccccc12)S(=O)(=O)c1ccc(C)cc1
BDBM50122174 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cnccc1F |r|
BDBM50122175 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)n1 |r|
BDBM50122240 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r|
BDBM50122244 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)ccc1C#N |r|
BDBM50122249 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(cc1)C#N |r|
BDBM50122251 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1C#N |r|
BDBM50122258 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(Cl)cc1 |r|
BDBM50122260 C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1Cl |r|
BDBM143693 CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
BDBM143694 CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
BDBM143695 CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
BDBM143697 CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1 |c:7|
BDBM143698 CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1 |c:7|
BDBM143699 CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1 |c:7|
BDBM50169542 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
BDBM50169543 Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1 |r|
BDBM50160563 CC(C)(C)CCNc1ncnc2c1nn1ccccc21
BDBM50159148 [H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50159150 [H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50160415 C[C@@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
BDBM50159147 [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50160532 [H][C@@]12CC[C@](C)([C@H](C1)Nc1ncnc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:22|
BDBM50160560 FC1(F)CCC(CC1)Nc1ncnc2c1nn1ccccc21
BDBM50160409 [H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
BDBM50160410 C1C2CC3CC1CC(C2)(C3)Nc1ncnc2c1nn1ccccc21 |TLB:8:7:0.1.2:4,10:7:0.1.2:4,THB:8:1:4:7.6.9,2:1:6:3.4.9,2:3:6:0.1.8|
BDBM50160411 C1CCC(CC1)Nc1ncnc2c1nn1ccccc21
BDBM50160412 C1C(Cc2ccccc12)Nc1ncnc2c1nn1ccccc21
BDBM50160416 C[C@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
BDBM50160418 CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
BDBM50160419 COCCNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:9.8,wD:12.12,(-7.65,6.19,;-6.57,5.56,;-6.57,4,;-5.21,3.21,;-5.22,1.65,;-3.86,.86,;-3.86,-.63,;-2.6,-1.38,;-2.63,-2.94,;-4,-3.7,;-4.04,-5.26,;-5.41,-6.01,;-6.75,-5.2,;-7.85,-5.8,;-6.71,-3.64,;-5.34,-2.89,;-1.28,-.63,;,-1.38,;1.28,-.63,;2.58,-1.38,;3.9,-.63,;3.9,.86,;2.58,1.61,;1.28,.86,;-1.28,.86,;-2.6,1.61,)|
BDBM50160420 CC(C)Nc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:8.7,wD:11.11,(-6.4,3.9,;-5.3,3.27,;-4.2,3.9,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.11,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
BDBM50160421 C[C@H]1CC[C@@H](CC1)Nc1nc(nc2c1nn1ccccc21)N(C)C |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-5.3,1.67,;-5.3,2.95,;-6.41,1.04,)|
BDBM50160422 CNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:6.5,wD:9.9,(-5.3,2.95,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.1,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
BDBM50160423 C[C@H]1CC[C@@H](CC1)Nc1nc(N)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
BDBM50160414 C[C@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
BDBM50160536 [H][C@@]12CC[C@@]([H])(C1)[C@H](C2)Nc1ncnc2c1nn1ccccc21 |r|
BDBM50160554 CCC(C)(C)Nc1ncnc2c1nn1ccccc21
BDBM50160562 C[C@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
BDBM50160480 [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23|
BDBM50160525 [H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1nc(C)nc3c4ccccn4nc13)C2(C)C |r|
BDBM50160526 C[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.11,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
BDBM50160534 [H][C@@]12C[C@@]([H])([C@H](C)[C@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
BDBM50160551 C[C@H]1CC[C@@H](CC1)Nc1ncnc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
BDBM50160556 C1CCCC(CC1)Nc1ncnc2c1nn1ccccc21
BDBM50160558 C1CCCC(CCC1)Nc1ncnc2c1nn1ccccc21
BDBM50160559 OC12CC3CC(C1)CC(C3)(C2)Nc1ncnc2c1nn1ccccc21 |TLB:0:1:4:8.7.9,11:8:4:2.1.6,THB:9:8:4.3.2:6,9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,11:8:4.3.2:6|
BDBM50160561 C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
BDBM50160564 C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
BDBM50159146 [H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM212382 Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccccn2)c2nccn2c1
BDBM212383 Cc1csc(NC(=O)c2cc(cn3ccnc23)-c2cc(C)n[nH]2)n1
BDBM212384 Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(C)cn2)c2nccn2c1
BDBM212385 Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(F)cn2)c2nccn2c1
BDBM212386 Cc1cc(-c2cc(C(=O)Nc3ccc(F)cn3)c3ncnn3c2)n(C)n1
BDBM212387 Cc1cc(-c2cc(C(=O)Nc3cccc(F)n3)c3ncnn3c2)n(C)n1
BDBM212407 Cn1nccc1-c1cc(C(=O)Nc2ccc(F)cn2)c2nncn2c1
BDBM212433 Cc1cc(nn1)-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
BDBM212381 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccn(C)n2)n1
BDBM208023 CCc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
BDBM211091 Cc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
BDBM211133 Cc1ccncc1-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
BDBM211448 Cc1ccncc1-c1cc(C(=O)Nc2ccccn2)c2ncnn2c1
BDBM211449 COc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
BDBM211450 Cc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
BDBM211451 COc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
BDBM211452 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
BDBM211453 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2)n1
BDBM211454 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3ncccc3c2)n1
BDBM211455 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2)n1
BDBM211456 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)nn2C)n1
BDBM211457 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(C)c2)n1
BDBM211543 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3occc3c2)n1
BDBM211544 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnc(F)c(C)c2)n1
BDBM211545 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3n(C)ncc23)n1
BDBM211546 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnc(C)c2)n1
BDBM211547 COc1cnc(cn1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
BDBM211548 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cn(C)nc2C)n1
BDBM211549 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc(F)nc2)n1
BDBM211550 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2F)n1
BDBM211551 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ccc3c2)n1
BDBM211552 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ncc3c2)n1
BDBM211663 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc3ccccc3o2)n1
BDBM212152 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3cnn(C)c23)n1
BDBM212153 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3cnn(C)c3c2)n1
BDBM212250 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(C)c2)n1
BDBM212251 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)cc(C)c2)n1
BDBM212252 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2C)n1
BDBM212253 COc1ccc(C)c(c1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
BDBM212254 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C2CC2)n1
BDBM212255 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(c2)C(F)(F)F)n1
BDBM212262 CCc1ccncc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
BDBM212263 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(F)cnc2C)n1
BDBM212264 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(F)c2)n1
BDBM212266 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnn(C)c2)n1
BDBM212374 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnn2C)n1
BDBM212375 CCn1nccc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
BDBM212376 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncnc2)n1
BDBM212377 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)n[nH]2)n1
BDBM212378 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccncc2)n1
BDBM212379 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnnc2)n1
BDBM212380 Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnncc2C)n1
BDBM50201538 COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
BDBM50201541 Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
BDBM50201558 Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12