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1101 SMILES Strings for Metabotropic glutamate receptor 1

Compound NameSMILES String
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17662 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM18125 N[C@@H](CC(O)=O)C(O)=O
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM31174 N[C@H](CC(O)=O)C(O)=O
BDBM49388 O=C1CCOc2cc(OCc3ccccc3)ccc12
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM82251 N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM86213 CCOC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM85014 CC(N)(C(O)=O)c1ccc(cc1)-n1cnnn1
BDBM85017 N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
BDBM85706 Cc1cc(ccc1C(O)=O)C(N)C(O)=O
BDBM85707 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
BDBM85077 NC(CP(O)(O)=O)C(O)=O
BDBM85356 N[C@H](CCCC(O)=O)C(O)=O |r|
BDBM86716 Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM86717 Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
BDBM50004051 NC(CCP(O)(O)=O)C(O)=O
BDBM50002370 Cc1o[nH]c(=O)c1CC(N)C(O)=O
BDBM50004852 Cc1o[nH]c(=O)c1C(N)C(O)=O
BDBM50004863 N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50004881 NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50004899 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
BDBM50007548 N[C@@H](CCP(O)(O)=O)C(O)=O |r|
BDBM50013055 NC(CCC([O-])=O)C([O-])=O
BDBM50017244 NC(Cc1o[nH]c(=O)c1Br)C(O)=O
BDBM50017229 N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
BDBM50026947 Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O
BDBM50031703 C[C@@H](C[C@H](N)C(O)=O)C(O)=O
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
BDBM50038038 N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
BDBM50049748 N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(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
BDBM50052255 N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
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|
BDBM50052549 NC(CCCCC(O)=O)C(O)=O
BDBM50052551 Cc1o[nH]c(=O)c1CCC(N)C(O)=O
BDBM50052552 NC(CCCCCC(O)=O)C(O)=O
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50052554 Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
BDBM50052555 Cc1o[nH]c(=O)c1CCCC(N)C(O)=O
BDBM50050919 NC([C@@H]1[C@H]([C@@H]1c1ccccc1)C(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|
BDBM50060133 N[C@@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM50060134 NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50060136 N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50060719 Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
BDBM50063485 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
BDBM50064245 N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
BDBM50064246 N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064247 N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064248 N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
BDBM50069111 N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
BDBM50072168 CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072169 CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072170 CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072171 C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072172 CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072173 CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072174 CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072176 NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
BDBM50072177 CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50071150 N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071151 N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071153 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2Cl)C1)C(O)=O)C(O)=O
BDBM50071154 N[C@@]1(C[C@@H](N(CCCc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071155 N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
BDBM50071152 N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071156 CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071157 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2)C1)C(O)=O)C(O)=O
BDBM50071158 N[C@@]1(C[C@@H](N(Cc2ccc(cc2)-c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071159 N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
BDBM50071160 N[C@@]1(C[C@@H](N(CC2CCCCC2)C1)C(O)=O)C(O)=O
BDBM50071161 N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071162 C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
BDBM50071163 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)c(Cl)c2)C1)C(O)=O)C(O)=O
BDBM50071164 CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071165 N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071166 N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071167 N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071168 N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
BDBM50076393 N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
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|
BDBM50074749 N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50074750 N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50078596 NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50079183 N[C@H](C(O)=O)c1cc(O)cc(O)c1
BDBM50079270 OC(=O)[C@H]1C[C@@H](N1)C(O)=O
BDBM50080064 Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
BDBM50084962 N[C@@H]([C@H](O)[C@H](O)C(O)=O)C(O)=O
BDBM50084136 N[C@@]1(CCc2cc(ccc12)C(O)=O)C(O)=O
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50084139 NC(C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50084140 Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O
BDBM50084141 Cc1cccc(\C=C\c2ccccc2)n1
BDBM50084142 NC(C(O)=O)c1cc(O)ccc1Cl
BDBM50089890 N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089891 C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
BDBM50089892 CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|
BDBM50089893 NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
BDBM50089895 N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
BDBM50089896 Cc1cc(ccc1C(N)C(O)=O)C(O)=O
BDBM50089897 N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089898 N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
BDBM50089900 NC(C(O)=O)c1cc(O)cc(O)c1Cl
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50089905 NC(CC1c2ccccc2Sc2ccccc12)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50089906 N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
BDBM50089909 N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O |wU:19.24,17.20,1.0,wD:1.1,(-1.1,-9.45,;.38,-9.45,;.38,-10.93,;.4,-12.48,;-.94,-13.25,;-2.28,-12.5,;-3.62,-13.28,;-3.6,-14.82,;-2.27,-15.58,;-.94,-14.81,;.4,-15.58,;1.74,-14.79,;3.09,-15.58,;4.45,-14.79,;4.43,-13.22,;3.09,-12.45,;1.74,-13.24,;.35,-6.51,;1.36,-5.43,;.28,-4.43,;-.73,-5.52,;.23,-2.96,;1.48,-2.17,;-1.08,-2.26,;1.67,-8.73,;1.29,-6.9,;3.27,-8.08,)|
BDBM50089910 CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50089911 N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O
BDBM50089912 N[C@@H](CC(=C)C(O)=O)C(O)=O
BDBM50089913 Cc1c(O)c(ccc1C(N)C(O)=O)C(O)=O
BDBM50089914 NC(C(O)=O)c1cccc(O)c1
BDBM50094298 CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
BDBM50094187 COC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM50094188 COC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM50122758 Cc1nc(cs1)C#Cc1cccnc1
BDBM50128264 NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
BDBM50138781 C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
BDBM50132507 CC(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50132780 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
BDBM50132781 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1
BDBM50132782 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1
BDBM50132783 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1
BDBM50132710 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O
BDBM50132712 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132773 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O
BDBM50132798 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12
BDBM50132799 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12
BDBM50132784 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1
BDBM50132800 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
BDBM50132801 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12
BDBM50132802 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132803 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132804 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132807 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132808 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132806 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132809 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2ccccc2C1=O
BDBM50132786 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1
BDBM50132787 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132785 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1
BDBM50132788 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132789 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132790 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
BDBM50132791 Cc1ccoc1C(=O)Nc1ncc(cn1)N1C(=O)c2ccccc2C1=O
BDBM50132792 Cc1ccoc1C(=O)Nc1ccc(cn1)N1C(=O)c2ccccc2C1=O
BDBM50132795 Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O
BDBM50132793 COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O
BDBM50132796 Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O
BDBM50132797 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O
BDBM50132775 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F
BDBM50132777 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F
BDBM50132779 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)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
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,)|
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,)|
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,)|
BDBM50163595 CCc1cc2cc(ccc2nc1C(=O)OC(C)C)C(=O)C1CCC(CC1)OC |(6.68,1.35,;5.33,2.1,;4,1.32,;2.64,2.09,;1.31,1.32,;,2.09,;-1.35,1.32,;-1.35,-.22,;,-.99,;1.31,-.22,;2.64,-.99,;4,-.22,;5.33,-.99,;6.67,-.22,;5.35,-2.53,;4.02,-3.27,;2.68,-2.53,;4.02,-4.85,;-2.7,2.1,;-2.67,3.65,;-4.03,1.35,;-5.34,2.1,;-6.69,1.35,;-6.69,-.21,;-5.34,-.96,;-4.03,-.21,;-8.02,-1,;-8.02,-2.53,)|
BDBM50163596 CCc1cc2cc(ccc2nc1N)C(=O)C1CCC(CC1)OC |(7.7,.65,;6.37,1.42,;5.03,.65,;3.7,1.4,;2.37,.63,;1.04,1.4,;-.3,.63,;-.3,-.91,;1.04,-1.68,;2.37,-.91,;3.7,-1.68,;5.03,-.91,;6.39,-1.68,;-1.63,1.42,;-1.63,2.96,;-2.96,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.96,-.9,;-6.96,-1.67,;-8.3,-.9,)|
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
BDBM50163603 CCc1cc2cc(ccc2nc1C#N)C(=O)C1CCC(CC1)OC |(7.38,.75,;6.04,1.52,;4.7,.74,;3.38,1.51,;2.05,.74,;.71,1.51,;-.61,.74,;-.63,-.8,;.71,-1.56,;2.05,-.8,;3.38,-1.56,;4.72,-.8,;6.04,-1.56,;7.38,-2.34,;-1.95,1.51,;-1.94,3.05,;-3.29,.74,;-3.29,-.8,;-4.61,-1.56,;-5.94,-.8,;-5.94,.74,;-4.61,1.52,;-7.28,-1.56,;-8.6,-.8,)|
BDBM50163604 CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
BDBM50163605 O=C(CCc1ccccc1)c1ccc2nc3OCCCc3cc2c1
BDBM50163606 O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
BDBM50163608 Cc1cc2cc(ccc2[nH]c1=O)C(C)(C#N)c1ccccc1
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
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,)|
BDBM50163618 CCc1cc2cc(ccc2nc1-c1ccsc1)C(=O)C1CCC(CC1)OC |(6.54,1.04,;5.21,1.79,;3.89,1.04,;2.56,1.78,;1.22,1.01,;-.11,1.78,;-1.46,1.01,;-1.46,-.54,;-.13,-1.31,;1.22,-.54,;2.56,-1.31,;3.89,-.54,;5.24,-1.31,;5.38,-2.84,;6.89,-3.16,;7.65,-1.82,;6.62,-.7,;-2.78,1.79,;-2.78,3.34,;-4.13,1.04,;-5.45,1.79,;-6.78,1.04,;-6.78,-.52,;-5.45,-1.3,;-4.13,-.52,;-8.13,-1.3,;-9.45,-.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,)|
BDBM50163623 CCc1cc2cc(ccc2nc1F)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,)|
BDBM50132805 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2ccccc2C1=O
BDBM50132776 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F
BDBM50132774 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O
BDBM50132778 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F
BDBM50132794 Cc1ccoc1C(=O)Nc1ccc(cc1C(F)(F)F)N1C(=O)c2ccccc2C1=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
BDBM50177052 CCc1ccc(cc1)-n1cnc2c(sc3cncc(N(C)C)c23)c1=O
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
BDBM50177062 CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
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
BDBM50177087 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CCCCC4)c3=O)c12
BDBM50177088 CCc1ccc(cc1)-n1cnc2c(oc3nccc(N(C)C)c23)c1=O
BDBM50177089 CC1CCC(CC1)n1cnc2c(oc3nccc(N(C)C)c23)c1=O |(26.6,2.2,;25.06,2.14,;24.34,.78,;22.81,.72,;21.99,2.03,;22.7,3.39,;24.24,3.44,;20.45,1.98,;19.53,3.22,;17.99,3.06,;17.37,1.64,;18.29,.39,;17.37,-.87,;15.9,-.39,;14.57,-1.16,;13.23,-.39,;13.24,1.15,;14.56,1.92,;14.56,3.46,;15.89,4.23,;13.22,4.22,;15.9,1.16,;19.82,.55,;20.73,-.69,)|
BDBM50177090 CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)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
BDBM50177096 CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
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
BDBM50180145 OC(=O)[C@H]1CC[C@H]2CN[C@@H]([C@@H]12)C(O)=O
BDBM50191142 COc1cccc(OCC#Cc2cccc(C)n2)c1
BDBM50191143 COc1cccc(OCC#Cc2ccccn2)c1
BDBM50214069 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cncnc1
BDBM50214070 Cc1nc2n(ncc2c(=O)n1-c1cnccn1)-c1cnccn1
BDBM50214071 Cc1nc2n(ncc2c(=O)n1N1CCCCCC1)-c1ccccc1
BDBM50214072 Cc1nc2n(CC3CCCCC3)ncc2c(=O)n1-c1ccc(Cl)cc1
BDBM50214073 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccc1
BDBM50214074 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50214075 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccnc1
BDBM50214076 Cc1nc2n(ncc2c(=O)n1N1CCCCC1)-c1ccccc1
BDBM50214077 Cc1nc2n(ncc2c(=O)n1C1CCCCCC1)-c1ccccc1
BDBM50214078 Cc1nc2n(ncc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1
BDBM50214079 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(Cl)c1
BDBM50214080 Cc1nc2n(ncc2c(=O)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM50214081 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccn1
BDBM50214082 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)c(F)c1)-c1ccccc1
BDBM50214083 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50214084 Cc1nc2n(ncc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)-c1ccccc1
BDBM50214085 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)C1CCCCCC1
BDBM50214086 Cc1nc2n(ncc2c(=O)n1-c1cccc(Cl)c1)-c1ccccc1
BDBM50214087 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
BDBM50214088 Cc1cccc(c1)-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
BDBM50214089 Cc1ccccc1-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
BDBM50214090 Cc1nc2n(ncc2c(=O)n1-c1ccc(O)cc1)-c1ccccc1
BDBM50212322 COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1
BDBM50212323 C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
BDBM50212324 Cc1c(sc2nc3ccc(N)cc3n12)C(=O)NC1CCCCC1
BDBM50212325 C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50212327 NC(C1CC(C1)C(O)=O)(C1c2ccccc2Sc2ccccc12)C(O)=O |w:1.0,(-.99,1.85,;.35,1.08,;1.11,2.41,;2.59,2.84,;2.17,4.34,;.71,3.93,;2.92,5.68,;4.45,5.7,;2.13,7,;1.68,.31,;1.7,-1.23,;.37,-2,;.37,-3.54,;1.7,-4.31,;3.04,-3.54,;3.04,-1.99,;4.36,-1.22,;4.36,.32,;5.69,1.09,;5.68,2.63,;4.34,3.4,;3.02,2.62,;3.02,1.09,;-.99,.32,;-2.31,1.09,;-1,-1.22,)|
BDBM50212328 CC(C)N(C)C(=O)C1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |w:7.6,c:10|
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50220145 N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220146 N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50220148 N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220149 N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220150 N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220151 N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220153 N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220154 N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
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
BDBM50224408 CNc1c(Br)cnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50224409 C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
BDBM50263669 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|
BDBM50254338 N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50254389 N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50254390 N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50254391 N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50254392 N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50254337 N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50278288 OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278924 CNc1ncc(cn1)C#Cc1ccccc1
BDBM50278930 Cc1cccc(c1)C#Cc1ncccn1
BDBM50273940 CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F |c:9|
BDBM50273941 CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9|
BDBM50273942 CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
BDBM50273828 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1 |c:10|
BDBM50273829 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273830 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccc(F)c1 |c:10|
BDBM50273863 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccc(F)cc1 |c:10|
BDBM50273864 Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:14|
BDBM50273865 COc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
BDBM50273866 CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273867 CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273895 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccn1 |c:10|
BDBM50273896 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1 |c:10|
BDBM50273897 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1 |c:10|
BDBM50273898 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10|
BDBM50273899 Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
BDBM50290679 Cc1cc(C(O)=O)c(O)cc1C(N)C(O)=O
BDBM50278849 Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50289106 CN(C(=O)C12CC1C(N=O)c1ccccc1O2)c1ccccc1
BDBM50288204 OC(=O)C[C@H]1CN[C@@H]1C(O)=O
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|
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
BDBM50301805 CC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
BDBM50301806 CCC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
BDBM50301807 Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)C1CC1
BDBM50301808 Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)c1ccccc1
BDBM50301809 CC(C)OC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
BDBM50301810 CC(C)OC(=O)c1cccc(c1)-c1nnn(c1C)-c1cccnc1
BDBM50301811 CC(C)NC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
BDBM50301812 CC(C)N(C)C(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
BDBM50301813 Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)N1CCCC1
BDBM50301814 Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)CCc2c1
BDBM50301815 Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(C)(C)Cc2c1
BDBM50301816 Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(Cc2c1)C1CC1
BDBM50301817 Cc1c(nnn1-c1cccnc1)-c1ccc2[nH]ccc2c1
BDBM50301818 Cc1c(nnn1-c1cccnc1)-c1ccc2ncccc2c1
BDBM50301819 Cc1c(nnn1-c1cccnc1)-c1ccc2ccccc2c1
BDBM50301820 Cc1nc2cc(ccc2s1)-c1nnn(c1C)-c1cccnc1
BDBM50301821 CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301822 CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301823 CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301824 Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
BDBM50301520 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301521 CN(C(=O)c1ccc(Br)cc1)c1nc(cs1)-c1ccncc1
BDBM50301522 CN(C(=O)c1ccc(Cl)cc1)c1nc(cs1)-c1ccncc1
BDBM50301523 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccncc1
BDBM50301524 CN(C(=O)c1ccc(C)cc1)c1nc(cs1)-c1ccncc1
BDBM50301525 COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1ccncc1
BDBM50301526 CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(cs1)-c1ccncc1
BDBM50301527 CN(C(=O)c1ccccc1)c1nc(cs1)-c1ccncc1
BDBM50301528 CN(C(=O)c1cccc(F)c1)c1nc(cs1)-c1ccncc1
BDBM50301529 CN(C(=O)c1ccccc1F)c1nc(cs1)-c1ccncc1
BDBM50301530 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccc1
BDBM50301531 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cccnc1
BDBM50301532 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
BDBM50301533 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cnccn1
BDBM50301534 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccncn1
BDBM50301535 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cncnc1
BDBM50301536 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ncccn1
BDBM50301537 CCN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
BDBM50301538 CCCN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
BDBM50301539 CC(C)N(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
BDBM50301540 Fc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50301541 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
BDBM50301542 CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301543 CCNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301544 CC(C)N(C)c1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50316003 Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=O)nc(N)c23)c1=O
BDBM50316004 Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=S)nc(N)c23)c1=O
BDBM50316005 Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
BDBM50316006 CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O
BDBM50316007 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)-n2cccc2)c1=O
BDBM50316008 Cc1ccc(cc1)-n1cnc2c3c(N)nc(C)nc3sc2c1=O
BDBM50316009 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C(F)(F)F)c1=O
BDBM50316010 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C2CC2)c1=O
BDBM50316011 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O
BDBM50316012 COc1ccc(cc1)-n1cnc2c(sc3nc(C)nc(N)c23)c1=O
BDBM50316013 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O
BDBM50316014 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O
BDBM50326793 N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|
BDBM50326794 N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|
BDBM50337525 O=C1CCOc2cc(COc3ccccc3)ccc12
BDBM50337526 O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
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|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50336921 CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50333367 Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1
BDBM50333368 CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
BDBM50333371 COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
BDBM50343299 Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
BDBM50329473 CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|
BDBM50329474 NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|
BDBM50329475 NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|
BDBM50329476 NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50329477 NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|
BDBM50329478 NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:31:32:30.29.35:36,THB:31:30:32.37.33:36,33:32:29:35.34.36,33:34:31.32.37:29|
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
BDBM50345968 CCC(CC)(Nc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12)C#C
BDBM50345969 Cc1ccc(cc1)-n1cnc2c(sc3nccc(NC(C)(C)C#C)c23)c1=O
BDBM50345970 CC(Nc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12)C#C
BDBM50346073 O=C(C1CCC1)N1CCCC2(CCCCC2)C1
BDBM50353290 C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
BDBM50353291 C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
BDBM50353292 C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
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
BDBM50366533 N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
BDBM50379862 COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379863 COc1ccc(cc1)-c1nsc(NC(=O)[C@H]2C[C@@H]2C)c1C |r|
BDBM50379860 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
BDBM50379861 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
BDBM50379864 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
BDBM50379865 CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379866 COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379867 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
BDBM50379868 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
BDBM50379869 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
BDBM50379870 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
BDBM50388941 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
BDBM50392432 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
BDBM50407818 N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407819 N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407820 N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407821 N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407822 N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407823 N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407824 N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407825 N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407826 N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407827 N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407828 N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407829 N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407830 N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407831 N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50409037 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
BDBM50409038 COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1C(N=O)c1ccccc1O2
BDBM50409036 CCOC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
BDBM50400856 N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
BDBM50400857 N[C@H](C(O)=O)C12CC(C1)(C2)c1nnn[nH]1 |r|
BDBM50410312 C[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1 |wU:4.7,1.0,(-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,)|
BDBM206763 Fc1ccccc1-c1csc2c1ncn(-c1ccc(Cl)cc1)c2=O
BDBM206764 Cc1ccc(cc1)-c1csc2c1ncn(-c1ccc(Cl)cc1)c2=O
BDBM206765 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc(C)cc1
BDBM206766 Clc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc2OCOc2c1
BDBM50401676 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401677 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401678 Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401679 Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401680 CCN(C)c1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401681 CCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401682 CNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401683 COc1ccc(cn1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401684 CN(C)c1ncnc2sc3c(ncn(C4CCCCC4)c3=O)c12
BDBM50401685 CSc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401686 CN(C)c1ncnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
BDBM50401687 CN(C)c1ncnc2sc3c(ncn(-c4ccc(OC(F)(F)F)cc4)c3=O)c12
BDBM50401688 CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50401689 COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401690 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401691 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401692 O=c1n(cnc2c1sc1ncnc(NC3CC3)c21)C1CCCCC1
BDBM50401693 Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401694 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccc(Cl)c4)c23)c1=O
BDBM50401695 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccc(F)c4)c23)c1=O
BDBM50401696 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccnc4)c23)c1=O
BDBM50401697 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(cc4)C#N)c23)c1=O
BDBM50401698 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(C)cc4)c23)c1=O
BDBM50401699 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(F)cc4)c23)c1=O
BDBM50401700 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccncc4)c23)c1=O
BDBM50401701 COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccccc4)c23)c1=O
BDBM50401702 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CCC4)c23)c1=O
BDBM50401703 COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C4CC4)c23)c1=O
BDBM50401704 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC4CC4)c23)c1=O
BDBM50401705 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCCCO)c23)c1=O
BDBM50401706 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCCO)c23)c1=O
BDBM50401707 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCO)c23)c1=O
BDBM50401708 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(F)(F)F)c23)c1=O
BDBM50401709 CCCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401710 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401711 COc1ccc(c(C)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401712 CN(C)c1ncnc2sc3c(ncn(-c4cccnc4)c3=O)c12
BDBM50401713 CN(C)c1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
BDBM50401714 CN(C)c1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50401715 CN(C)c1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50417069 FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(=O)N[C@@H]2CCNC2)c2CCCCc12 |r|
BDBM50417070 OCc1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc2CCCCc12
BDBM50417071 NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417072 CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417073 CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417074 CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417075 CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417076 COCCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417077 CCN(CC)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417078 NC(=O)c1c(NC(=O)Cn2cc(CNC3CC3)c(n2)C(F)(F)F)sc2CCCCc12
BDBM50417079 NC(=O)c1c(NC(=O)Cn2cc(CN3CCC3)c(n2)C(F)(F)F)sc2CCCCc12
BDBM50417080 CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
BDBM50417081 CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
BDBM50417082 CC(C)(C)c1nn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)cc1CNC1CC1
BDBM50417083 CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
BDBM50417084 CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
BDBM50417085 CNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417086 CCNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417087 CCN(CC)Cc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
BDBM50417088 NC(=O)c1c(NC(=O)Cn2nc(c3CNCCc23)C(F)(F)F)sc2CCCCc12
BDBM50417089 CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(=O)NC)nc1C(F)(F)F
BDBM50429643 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2n[nH]cc2c1 |r|
BDBM50429644 CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
BDBM50429645 CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
BDBM50429646 CC[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
BDBM50429647 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCCC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429648 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429649 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429650 CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429651 CCCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429652 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
BDBM50429653 CNc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429654 COc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429655 CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429656 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C(F)F)-c1ccc2nn(C)cc2c1 |r|
BDBM50429657 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429658 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(C)n1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429659 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1ccccn1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429642 CC(C)c1cccc(n1)-c1c(NC(=O)C2CC2)snc1-c1ccc2nn(C)cc2c1
BDBM50423045 COCCNC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
BDBM50423046 CCCOC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
BDBM50423047 CCOC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:11:12:16.15:18|
BDBM50423048 COCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:14:15:19.18:21|
BDBM50423049 CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:18:19:23.22:25|
BDBM50423050 CCOC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:12:13:17.16:19|
BDBM50423051 CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:17:18:22.21:24|
BDBM50423052 COCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:13:14:18.17:20|
BDBM50440205 O=C1CCCc2nc(sc12)C#Cc1ccccc1
BDBM50448144 Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448145 CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448146 Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1
BDBM50448147 CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50448148 CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50448149 CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
BDBM50448150 C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 |r|
BDBM50448151 Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
BDBM50448152 CCC(C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50439559 CC(C)(C)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50438309 Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
BDBM50438310 Fc1ccc(Nc2nc3CCCCc3s2)cc1
BDBM50440185 CN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50436489 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436490 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436491 C[C@H]1CN(CCN1c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436492 C[C@@H]1CN(CCN1C(=O)C1CC2CCCC(C2)C1)c1ccccn1 |r|
BDBM50436493 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436494 C[C@@H]1CN(CCN1c1ccccc1C#N)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,15:17:20:24.23.22|
BDBM50436495 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436496 C[C@@H]1CN(CCN1C(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C)c1ccccn1 |r,wU:9.9,wD:1.0,12.16,(48.62,-41.8,;48.62,-43.34,;49.95,-44.12,;49.95,-45.66,;48.62,-46.42,;47.29,-45.66,;47.29,-44.11,;45.95,-43.35,;45.93,-41.81,;44.62,-44.13,;44.64,-45.67,;43.3,-46.44,;41.96,-45.68,;41.96,-44.14,;43.28,-43.37,;40.63,-46.46,;39.29,-45.69,;40.64,-48,;39.29,-47.22,;51.27,-46.43,;51.27,-47.97,;52.6,-48.75,;53.94,-47.98,;53.93,-46.43,;52.6,-45.66,)|
BDBM50436497 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436498 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436499 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436500 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436501 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436502 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436503 C[C@@H]1CN(CCN1C(=O)C1CCCCCCC1)c1ccccn1 |r|
BDBM50436504 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccc1F |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436505 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cnccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436506 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436507 C[C@@H]1CN(CCN1c1ccncc1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436508 C[C@H]1CC[C@@H](CC1)C(=O)N1CCN([C@H](C)C1)c1ccccn1 |r,wU:4.7,13.14,wD:1.0,(22.11,-46.55,;23.45,-45.78,;24.79,-46.54,;26.12,-45.76,;26.1,-44.23,;24.76,-43.46,;23.44,-44.24,;27.43,-43.44,;27.42,-41.9,;28.77,-44.2,;28.77,-45.76,;30.1,-46.52,;31.43,-45.76,;31.43,-44.22,;32.76,-43.45,;30.1,-43.44,;32.76,-46.53,;32.75,-48.07,;34.08,-48.84,;35.42,-48.07,;35.42,-46.52,;34.09,-45.76,)|
BDBM50436509 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCC1 |r|
BDBM50436514 C[C@@H]1CN(CCN1c1ccncn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436515 C[C@@H]1CN(CCN1c1cnccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436516 C[C@@H]1CN(CCN1c1ncccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436517 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436518 C[C@@H]1CN(CCN1c1cccnc1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
BDBM50436519 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CC2CCCC(C2)C1 |r|
BDBM50436520 C[C@@H]1CN(CCN1c1ccccn1)C(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:15.16,1.0,wD:18.23,(15.17,-53.24,;13.83,-54.01,;12.51,-53.23,;11.18,-53.99,;11.18,-55.55,;12.51,-56.31,;13.83,-55.55,;15.16,-56.32,;15.16,-57.86,;16.49,-58.63,;17.83,-57.86,;17.82,-56.31,;16.49,-55.55,;9.84,-53.23,;9.82,-51.69,;8.51,-54.01,;8.53,-55.55,;7.19,-56.33,;5.85,-55.57,;5.85,-54.03,;7.17,-53.25,;4.52,-56.34,;3.18,-55.58,;4.53,-57.88,;3.18,-57.1,)|
BDBM50436521 C[C@H]1CC[C@@H](CC1)C(=O)N1CCN(C[C@H]1C)c1ccccn1 |r,wU:4.7,wD:14.16,1.0,(2.85,-47.1,;4.18,-46.33,;5.52,-47.09,;6.86,-46.31,;6.84,-44.77,;5.5,-44.01,;4.18,-44.79,;8.17,-43.99,;8.16,-42.45,;9.51,-44.74,;9.51,-46.3,;10.84,-47.06,;12.17,-46.3,;12.17,-44.76,;10.84,-43.98,;10.85,-42.44,;13.5,-47.07,;13.49,-48.61,;14.82,-49.38,;16.16,-48.61,;16.16,-47.07,;14.83,-46.3,)|
BDBM50436522 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCCCC1 |r|
BDBM50436523 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCCC1 |r|
BDBM50436524 C[C@@H]1CN(CCN1C(=O)C1CCCCCC1)c1ccccn1 |r|
BDBM50436525 C[C@@H]1CN(CCN1C(=O)C1CCCCC1)c1ccccn1 |r|
BDBM50436526 C[C@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436527 C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
BDBM50436528 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C12C3C4C5C3C1C5C24 |r,wU:1.0,(31.17,-6.4,;29.84,-7.17,;28.49,-6.39,;27.15,-7.17,;27.15,-8.71,;28.49,-9.49,;29.84,-8.71,;31.18,-9.49,;31.18,-11.04,;32.52,-11.82,;33.86,-11.04,;33.86,-9.49,;32.52,-8.71,;25.81,-6.39,;25.81,-4.84,;24.48,-7.18,;23.54,-7.93,;22,-7.93,;22,-9.47,;23.54,-9.47,;24.48,-8.72,;22.94,-8.72,;22.94,-7.18,)|
BDBM50436529 C[C@@H]1CN(CCN1C(=O)C12C3C4C5C3C1C5C24)c1ccccn1 |r,wD:1.0,(12.27,-3.85,;12.27,-5.4,;13.61,-6.18,;13.61,-7.73,;12.27,-8.5,;10.92,-7.73,;10.92,-6.18,;9.58,-5.41,;9.58,-3.85,;8.26,-6.19,;7.32,-6.95,;5.78,-6.95,;5.78,-8.49,;7.32,-8.49,;8.26,-7.73,;6.72,-7.73,;6.72,-6.19,;14.96,-8.5,;14.96,-10.05,;16.3,-10.83,;17.64,-10.05,;17.64,-8.5,;16.3,-7.73,)|
BDBM50439529 O=C(N1CCC2(CCCC2)C1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439530 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50439531 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCCC(C2)C1 |r,TLB:1:16:19.20.21:23|
BDBM50439532 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCC(C2)C1 |r|
BDBM50439533 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCC2(CCCCC2)CC1 |r|
BDBM50439534 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCC2(CCCC2)CC1 |r|
BDBM50439535 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCCCCCC1 |r|
BDBM50439536 CC1(C)[C@H]2CN(C[C@@H]12)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439537 O=C(N1C[C@H]2CN(C[C@H]2C1)c1cccnc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50439538 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccncc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50439539 O=C(N1C[C@H]2CN(C[C@H]2C1)c1cnccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50439540 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ncccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50439541 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50439542 Fc1cccnc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
BDBM50439543 Fc1ccc(nc1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
BDBM50439544 Fc1cccc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
BDBM50439545 O=C(N1C[C@H]2CN(C[C@H]2C1)c1cnccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50439546 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccncn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50439547 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50439548 O=C(N1C[C@H]2CN(C[C@H]2C1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
BDBM50439549 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12C3C4C5C3C1C5C24 |r,wD:4.3,8.9,(21.01,-11.68,;20.98,-13.22,;22.31,-14,;22.45,-15.53,;23.95,-15.85,;24.99,-16.99,;26.38,-16.37,;26.22,-14.85,;24.72,-14.53,;23.68,-13.38,;27.66,-17.21,;27.57,-18.75,;28.85,-19.58,;30.22,-18.89,;30.32,-17.35,;29.03,-16.51,;19.65,-13.97,;18.97,-14.23,;17.29,-13.26,;16.44,-15,;18.13,-15.97,;18.8,-15.69,;17.11,-14.73,;17.95,-13,)|
BDBM50439550 O=C(CC12CC3CC(CC(C3)C1)C2)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
BDBM50439551 O=C(CC1CCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439552 CC(C)(C)CC(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50436510 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C(C)(C)C |r|
BDBM50436511 C[C@@H]1CN(CCN1C(=O)C(C)(C)C)c1ccccn1 |r|
BDBM50436512 C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CC1 |r|
BDBM50436513 C[C@@H]1CN(CCN1C(=O)C1CC1)c1ccccn1 |r|
BDBM50439553 CC(C)(C)[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,wU:7.10,wD:14.14,18.20,4.3,(15.39,-10.65,;16.71,-11.44,;16.69,-12.98,;15.37,-12.2,;18.05,-10.69,;19.38,-11.48,;20.73,-10.73,;20.74,-9.19,;19.42,-8.4,;18.08,-9.15,;22.08,-8.44,;22.11,-6.89,;23.41,-9.22,;23.56,-10.76,;25.06,-11.08,;26.1,-12.23,;27.5,-11.6,;27.34,-10.08,;25.83,-9.75,;24.79,-8.61,;28.79,-12.45,;28.69,-13.99,;29.98,-14.83,;31.36,-14.14,;31.45,-12.59,;30.16,-11.75,)|
BDBM50439554 CC1(CCCCC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439555 C[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,wU:4.7,wD:11.11,15.17,1.0,(7.38,-10.51,;8.72,-9.76,;10.05,-10.55,;11.39,-9.8,;11.41,-8.26,;10.08,-7.47,;8.75,-8.22,;12.75,-7.51,;12.77,-5.96,;14.08,-8.29,;14.22,-9.83,;15.73,-10.15,;16.77,-11.3,;18.16,-10.67,;18,-9.15,;16.49,-8.82,;15.46,-7.67,;19.45,-11.52,;19.35,-13.06,;20.64,-13.9,;22.02,-13.2,;22.11,-11.66,;20.82,-10.81,)|
BDBM50439556 O=C(C1CCCCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439557 O=C(C1CCCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439558 O=C(C1CCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM136126 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM135949 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM135977 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
BDBM136042 CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nc(C)cs1 |c:26,t:10|
BDBM136131 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136118 COC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:11,t:9|
BDBM136119 Fc1cccc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136120 Fc1ccnc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136121 Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136122 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3cnc(F)cn3)C2=C1 |c:31,t:7|
BDBM136123 O=C1CN=C(C=C2N1CCc1c2cccc1-n1nccn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136124 Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cnc(F)nc1)n1cnc(c1)C1CC1 |c:7,t:5|
BDBM135948 Clc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135950 FC(F)(F)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:11,t:9|
BDBM135951 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:9,t:7|
BDBM135952 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:26,t:9|
BDBM135953 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccc(C)o1 |c:9,t:7|
BDBM135955 COc1cccc(n1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM136049 COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136125 Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136128 COC(C)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |w:2.1,c:11,t:9|
BDBM136129 Cc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136130 Fc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136132 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
BDBM135956 CCc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM135957 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |c:9,t:7|
BDBM135958 COCCOc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:30,t:12|
BDBM135959 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(Cl)ccc3C2=C1 |c:28,t:9|
BDBM135960 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cc(Cl)cc3C2=C1 |c:28,t:9|
BDBM135962 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(c1)C(F)(F)F |c:9,t:7|
BDBM135963 COc1ccc(cc1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM136133 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ccno1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136134 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136135 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cocn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136136 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)CCC3)C2=C1 |c:30,t:8|
BDBM136137 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
BDBM136138 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)C)C2=C1 |c:29,t:9|
BDBM136139 OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136140 CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM135964 COc1ccc(C)c(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:28,t:10|
BDBM135965 Fc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135966 COc1cccc(c1)C1=NCC(=O)N2CCc3c(Br)cccc3C2=C1 |c:26,t:9|
BDBM135967 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccnc(c1)N(C)C |c:9,t:7|
BDBM135968 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
BDBM135969 Cc1ccc(o1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM135970 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM135971 Cn1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM136141 FC(F)(F)OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
BDBM136142 Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136143 Cc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136144 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(OC(C)C)cccc3C2=C1 |c:29,t:9|
BDBM135972 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
BDBM135973 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:27,t:7|
BDBM135974 O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccco1 |c:3,5|
BDBM135975 Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135976 COc1cccc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135979 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135980 Ic1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccoc1 |c:8,t:6|
BDBM135981 CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135982 Cn1cnc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
BDBM135984 O=C1CN=C(C=C2N1CCc1c(cccc21)C#C)c1cccs1 |c:3,5|
BDBM135985 O=C1CN=C(C=C2N1CCc1c(cccc21)C#N)c1cccs1 |c:3,5|
BDBM135986 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C#N |c:23,t:7|
BDBM135987 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
BDBM135988 CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3-n3cccn3)C2=C1 |c:31,t:9|
BDBM135989 COc1cccc(c1)C1=NCC(=O)N2CCc3c(CN(C)C)cccc3C2=C1 |c:29,t:9|
BDBM135990 COCCOCc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(OC)c1 |c:13,t:11|
BDBM135991 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
BDBM135992 Cn1cc(cn1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
BDBM135993 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=O |c:25,t:9|
BDBM135994 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccc3)C2=C1 |c:32,t:9|
BDBM135995 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
BDBM136052 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C2=C1)-c1ccc(F)nc1 |c:25,t:9|
BDBM136053 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM135996 O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccoc1 |c:3,5|
BDBM135997 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:32,t:9|
BDBM135998 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:33,t:9|
BDBM135999 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3F)C2=C1 |c:33,t:9|
BDBM136000 Cn1cnc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
BDBM136002 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |w:24.28,c:25,t:9|
BDBM136054 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:15,t:13|
BDBM136055 Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
BDBM136056 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnc(C)o1 |c:23,t:7|
BDBM136057 FC(F)(F)c1cc([nH]n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:17,t:15|
BDBM136058 Oc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136059 COc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
BDBM136060 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cc[nH]n1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136003 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(O)n1 |c:9,t:7|
BDBM136004 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(OC)ccc3C2=C1 |c:29,t:9|
BDBM136006 COc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
BDBM136007 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:24,t:7|
BDBM136008 FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
BDBM136009 Ic1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C#N |c:8,t:6|
BDBM136010 OCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
BDBM136061 Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136062 Fc1cc(ccn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136064 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |c:26,t:9|
BDBM136065 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |r,c:27,t:10|
BDBM136066 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cc(F)cc3C2=C1)C1CC1 |c:26,t:9|
BDBM136067 FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136011 COC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
BDBM136012 Cc1cn(c(C)n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
BDBM136013 CCOC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:28,t:11|
BDBM136014 O=C1CN=C(C=C2N1CCc1c2cccc1-n1cccn1)n1cnc(c1)C1CCC1 |c:3,5|
BDBM136015 O=C1CN=C(C=C2N1CCc1c(cccc21)N1CCOCC1)n1cnc(c1)C1CCC1 |c:3,5|
BDBM136016 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc[nH]1 |c:25,t:9|
BDBM136017 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnn(C)c1 |c:25,t:9|
BDBM136068 FCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136069 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |r,c:31,t:10|
BDBM136070 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3ccc(F)nc3)C2=C1 |c:32,t:7|
BDBM136071 COCc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
BDBM136072 Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cccnc1F)n1cnc(n1)C1CC1 |c:7,t:5,(-4.6,-3.28,;-3.26,-2.51,;-3.26,-.97,;-1.93,-.2,;-.59,-.97,;.74,-.2,;.51,1.32,;1.56,2.45,;3.09,2.33,;3.96,1.06,;3.51,-.41,;4.6,-1.5,;2.07,-.97,;2.07,-2.51,;.74,-3.28,;-.59,-2.51,;-1.93,-3.28,;-1.93,-4.82,;-3.26,-5.59,;-3.26,-7.13,;-1.93,-7.9,;-.59,-7.13,;-.59,-5.59,;.74,-4.82,;.79,3.78,;1.69,5.03,;.79,6.27,;-.68,5.8,;-.68,4.26,;-2.01,6.57,;-2.78,7.9,;-3.55,6.57,)|
BDBM136073 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;.79,6.94,;1.69,5.7,;.79,4.45,;-.68,4.93,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
BDBM136018 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccn1C |c:25,t:9|
BDBM136019 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncco1 |c:24,t:8|
BDBM136020 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ccco1 |c:24,t:8|
BDBM136021 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:26,t:10|
BDBM136023 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cncnc3)C2=C1 |c:30,t:7|
BDBM136024 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cccnc3)C2=C1 |c:30,t:7|
BDBM136074 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;-.68,4.93,;.79,4.45,;1.69,5.7,;.79,6.94,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
BDBM136075 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:25,t:9|
BDBM136076 CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:32,t:8|
BDBM136077 Cc1cc(sn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136078 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136079 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cscn1)n1cnc(c1)C#C |c:3,5|
BDBM136080 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:15,t:13|
BDBM136025 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
BDBM136026 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:31,t:7|
BDBM136027 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cncs1 |c:23,t:7|
BDBM136028 Fc1cncc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(Cl)c1 |c:15,t:13|
BDBM136029 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:34,t:10|
BDBM136030 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(C=C)cccc3C2=C1 |c:27,t:9|
BDBM136031 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8|
BDBM136081 COC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
BDBM136082 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:30,t:7|
BDBM136083 OC1(COC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
BDBM136084 Cc1cc(on1)-c1cccc2C3=C(C)C(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:12,15|
BDBM136085 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:14,t:12|
BDBM136086 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:14,t:12|
BDBM136087 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1coc(C)n1 |c:23,t:7|
BDBM136035 Fc1nccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136036 Fc1cccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136037 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cncs1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136038 Cc1ncc(s1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136091 Fc1ccc(cn1)-c1nccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136092 O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136093 O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136094 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C3CC3)C2=C1 |r,c:30,t:10|
BDBM136039 O=C1CN=C(C=C2N1CCc1c2cccc1-c1cnccn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136040 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1nccs1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136041 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
BDBM136043 CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
BDBM136044 Fc1ccncc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136045 CCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
BDBM136095 FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C3CC3)C2=C1 |c:29,t:9|
BDBM136096 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:24,t:8|
BDBM136097 CC(C)(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:26,t:10|
BDBM136098 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
BDBM136099 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)O |c:24,t:8|
BDBM136100 CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
BDBM136101 CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:10,t:8|
BDBM136102 CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
BDBM136046 CCCc1cccc2C3=CC(NCC(=O)N3CCc12)n1cnc(C)c1 |t:8|
BDBM136047 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:25,t:9|
BDBM136048 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7|
BDBM136103 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1=CCCC1 |c:25,t:9,28|
BDBM136104 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |c:25,t:9|
BDBM136105 CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
BDBM136106 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
BDBM136107 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1cnco1 |c:3,5|
BDBM136108 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5|
BDBM136109 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136110 COc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136111 FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:26,t:10|
BDBM136112 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccncc1 |c:3,5|
BDBM136113 CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9|
BDBM136114 OC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:27,t:11|
BDBM136115 OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136116 OC(C1CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
BDBM50058043 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1Cl
BDBM50058047 C=Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058050 Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058053 Clc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50083564 Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1cccc(F)c1)c2C#N
BDBM50083565 Fc1cccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccccc2)c1
BDBM50083567 Cc1cccc(c1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083569 Fc1cccc(c1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083570 Fc1ccncc1C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083571 Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083573 O=C(N1CCc2c(C1)sc(NCc1ccccc1)c2C#N)c1ccccc1
BDBM50083574 Fc1ccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccn[nH]2)cc1
BDBM50083616 Cc1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
BDBM50083626 O=C(N1CCc2c(C1)sc(NCc1ccccc1)c2C#N)c1ccn[nH]1
BDBM50083627 Cc1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083628 CC(C)c1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083629 CC(C)c1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(Cl)cc1)c2C#N
BDBM50064444 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50083566 Fc1ccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccccc2)cc1
BDBM50083568 Cc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
BDBM50083630 COc1cccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccc(F)cc2)c1
BDBM50064463 Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50058039 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(OC)c1
BDBM50058040 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1OC
BDBM50058041 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(C)c1
BDBM50058042 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C
BDBM50058044 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F
BDBM50058045 C=Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058048 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058049 Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058051 Cc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058052 Clc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058054 Clc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058055 Fc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058056 Fc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM50058059 O=c1n(cnc2c(csc12)-c1ccccc1)-c1ccccc1
BDBM50058057 Fc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
BDBM206767 COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc2OCOc2c1
BDBM206768 COc1ccc(cc1)-n1c(C)nc2c(csc2c1=O)-c1ccccc1
BDBM50143059 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
BDBM50143060 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
BDBM50143061 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
BDBM50143062 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
BDBM50143063 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
BDBM50143149 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143150 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143152 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143153 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143154 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143155 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143156 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143157 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143159 Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(NC(=O)c2nccn2C)cc1Cl
BDBM50143160 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143162 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143173 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143176 Cc1ccsc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50134443 Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50128122 Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128024 Clc1cc(NC(=O)c2cnn[nH]2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50134466 Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50127965 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50128023 CC1(C)C2C1C(=O)N(C2=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50128025 Clc1cc(NC(=O)c2cnc[nH]2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128026 Clc1cc(NC(=O)c2cn[nH]c2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128028 Clc1cc(NC(=O)c2cscn2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128029 Clc1cc(NC(=O)c2ccno2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128030 Clc1cc(NC(=O)c2cocn2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128031 Clc1cc(NC(=O)c2ncco2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128043 Clc1cc(NC(=O)c2cnco2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128099 Clc1cc(NC(=O)c2ccc[nH]2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128115 Clc1cc(NC(=O)c2cccs2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128116 Clc1cc(NC(=O)c2ccco2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128117 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143165 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143166 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143167 CN1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 |r|
BDBM50143168 CN1CCC[C@@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 |r|
BDBM50143170 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143148 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143161 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143163 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143164 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50128120 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50128232 Cc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
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
BDBM50128022 [H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N(C(=O)[C@]21[H])c1ccc(NC(=O)c2ccccn2)cc1Cl |r,c:5|
BDBM50128118 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50128119 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50128121 Clc1cc(NC(=O)c2coc3ccccc23)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128123 Cc1cc(C)c(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128124 Clc1cc(NC(=O)c2occc2-c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128125 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128126 Clc1cc(NC(=O)c2ccc(o2)-c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128127 CS(=O)(=O)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128128 CN(C)Cc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128224 Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128228 Clc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128229 CC(C)(C)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128230 CCc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50128233 Clc1cc(NC(=O)C2CCCO2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50128234 Clc1cc(NC(=O)c2csnn2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50116512 FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50128027 Clc1cc(NC(=O)c2cncs2)ccc1N1C(=O)c2ccccc2C1=O
BDBM50127993 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
BDBM50128223 FC(F)(F)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143076 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143081 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143083 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143085 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143086 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143144 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143145 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143146 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143147 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143151 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143158 Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2nccn2C)cc1Cl
BDBM50143171 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143172 Cc1ncsc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143174 Cc1ncoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143175 Cc1sccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143177 Cn1cccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143178 Cc1[nH]ccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50143179 Cc1cc[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50121643 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
BDBM50143169 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
BDBM50159560 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1
BDBM50159561 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3CC2=O)c(Cl)c1
BDBM50159559 Cc1scnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50160568 OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
BDBM50159567 Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
BDBM50159565 [H][C@@]12CCCC[C@@]1([H])C(=O)N(C2=O)c1ccc(NC(=O)c2occc2C)cc1Cl |r|
BDBM50159566 Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(O)=O)c(Cl)c1
BDBM50159569 Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
BDBM50159571 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc23)c(Cl)c1
BDBM50159572 Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc23)c(Cl)c1
BDBM50159574 Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ccccc23)c(Cl)c1
BDBM50159563 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)CCc3ccccc23)c(Cl)c1
BDBM50159581 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C)C2=O)c(Cl)c1
BDBM50159691 Cc1scnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
BDBM50159576 Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
BDBM50159577 Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2)c(Cl)c1
BDBM50159575 Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ncccc23)c(Cl)c1
BDBM50159578 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
BDBM50159579 Cc1ccoc1C(=O)Nc1ccc(N2Cc3cc(Cl)ccc3C2=O)c(Cl)c1
BDBM50159582 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3F)C2=O)c(Cl)c1
BDBM50159584 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Br)C2=O)c(Cl)c1
BDBM50159585 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c(Cl)c1
BDBM50159586 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C#N)C2=O)c(Cl)c1
BDBM50159587 COc1cccc2C(=O)N(Cc12)c1ccc(NC(=O)c2occc2C)cc1Cl
BDBM50159588 Cc1ccoc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1
BDBM50159590 Cc1ccoc1C(=O)Nc1ccc(N2Cc3nccnc3C2=O)c(Cl)c1
BDBM50159591 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2(C)C)c(Cl)c1
BDBM50159592 Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2ccccc2C1=O
BDBM50159593 Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2c(cccc2Cl)C1=O
BDBM50159595 Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl
BDBM50159596 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1Cl
BDBM50159597 Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1Cl
BDBM50159598 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2ccccc2C1=O
BDBM50159599 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2c(cccc2Cl)C1=O
BDBM50159600 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2cccc(Cl)c2C1=O
BDBM50159601 Cc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
BDBM50159653 Cc1cccnc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
BDBM50159688 Clc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
BDBM50159689 Clc1cccc2C(=O)N(Cc12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
BDBM50159690 Clc1cccc2CN(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
BDBM50159692 Cc1scnc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
BDBM50159580 Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50159589 Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2=O)c(Cl)c1
BDBM50159687 Cc1cccnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50159594 Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2cccc(Cl)c2C1=O
BDBM50159564 [H][C@@]12CCCC[C@]1([H])C(=O)N(C2=O)c1ccc(NC(=O)c2occc2C)cc1Cl |r|
BDBM50159570 Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2)c(Cl)c1
BDBM50159573 Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2)c(Cl)c1
BDBM50204257 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
BDBM50207400 CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O