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464 SMILES Strings for mRNA interferase toxin, antitoxin is MazE

Compound NameSMILES String
BDBM7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM15234 [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
BDBM25469 [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
BDBM29614 COc1ccc2nc(N3CCCC3)c(cc2c1)C#N
BDBM31705 CCOn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O
BDBM30718 CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
BDBM30698 COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1
BDBM31009 NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
BDBM33096 OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33099 CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(OC(C)=O)cc1 |t:7|
BDBM33110 Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
BDBM32669 COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
BDBM33824 Oc1ccc(Cl)cc1C=Cc1ccc2cccc(O)c2n1
BDBM32010 CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|
BDBM32018 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
BDBM34832 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
BDBM34565 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cc(OC)c(O)c(OC)c1
BDBM40547 CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
BDBM36819 Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)NC1CCCC1
BDBM41505 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(cc1)C(F)(F)F |c:14|
BDBM41489 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
BDBM39430 COC(=O)CSc1nc2cc(C)ccc2cc1C#N
BDBM40112 Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
BDBM40252 O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1cccs1
BDBM43814 CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12 |w:8.8|
BDBM43816 Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
BDBM43817 Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
BDBM43249 [#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c2ccccc12
BDBM42925 Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
BDBM43042 O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
BDBM42908 Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1
BDBM42056 O=C(Cc1cccs1)Nc1cccc(c1)-c1nc2cc3ccccc3cc2[nH]1
BDBM42076 Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O
BDBM45195 Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
BDBM45137 [O-][N+](=O)c1ccc(N=NCc2ccccc2)c(F)c1 |w:7.6|
BDBM44436 CCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM44437 CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM44480 CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
BDBM44490 CCN1C(=O)C(C=NN=Cc2ccccc2)c2ccc(cc12)C1=NNC(=O)CC1 |w:7.7,9.9,t:25|
BDBM47577 CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
BDBM47268 CC(=O)Oc1c(\C=C(/C#N)C(N)=O)[nH]c2ccccc12
BDBM47567 Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
BDBM47155 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(cc1)C(C)(C)C
BDBM46749 [#6]-[#6](=O)-[#7]-1-[#6](=O)\[#6](-c2ccccc-12)=[#6]-1\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-1 |c:21,t:16|
BDBM51082 CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
BDBM51086 CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccccc1
BDBM51087 CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccc(Cl)cc1
BDBM51090 [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1 |c:27|
BDBM51101 N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
BDBM51233 O=C1N=c2ccccc2=C1NNc1ccccc1 |c:9,t:2|
BDBM51238 O=C1C([N-]S(=O)(=O)c2cccs2)=C(C(=O)c2ccccc12)[n+]1cccc(Cc2ccccc2)c1 |c:12|
BDBM51025 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1Cl
BDBM51034 COc1ccc2n(Cc3ccc(OC)c(OC)c3)c3nc4ccccc4nc3c2c1
BDBM51249 [O-][N+](=O)c1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
BDBM51253 CN(C)c1ccc(C=NNC(=O)c2cnc3ccccc3c2)cc1 |w:8.8|
BDBM51011 CN(\N=N\c1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM51116 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)c(C)n1C |w:4.3|
BDBM51119 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
BDBM51152 Cc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
BDBM51158 [#6]-[#6]-n1c(-[#6])cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]
BDBM50989 CCCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:7.7|
BDBM51262 O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1cc2ccccc2o1
BDBM51272 CC(=O)n1c(C=Nc2ccc(Cl)cc2)c(O)c2ccccc12 |w:6.6|
BDBM51189 Cc1cccc(NNC2=c3cc(F)ccc3=NC2=O)c1 |c:8,16|
BDBM49855 COC(=O)CSc1nc2ccc(C)cc2cc1C#N
BDBM49857 CC(=O)CSc1nc2cc3OCCOc3cc2cc1C#N
BDBM49765 Oc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
BDBM50077 O=[#6]-1\[#6](=[#6]/c2cccn2-c2ccccc2)-[#6](=O)-c2ccccc-12
BDBM50219 COc1ccc(-c2ccc([CH+]c3c([NH-])[n+]4ccsc4[n-]c3=O)o2)c(c1)[N+]([O-])=O
BDBM50647 Oc1cc2cccc(=O)c(O)c2c(O)c1O
BDBM50650 Oc1cc2c(O)oc3cc(=O)c(=O)oc3c2c(O)c1O
BDBM50891 O=c1oc2ccccc2cc1-c1nc(cs1)-c1cccs1
BDBM50758 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1
BDBM50904 COc1ccc2n(CC(=O)OC(C)C)c3nc4ccccc4nc3c2c1
BDBM50905 CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
BDBM50387 Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
BDBM50771 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1
BDBM50935 [#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
BDBM50944 COc1ccccc1Nc1nc2ccc(C)cc2cc1C#N
BDBM50953 Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
BDBM50957 COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
BDBM50958 CCOc1ccc(N=CCC(=O)c2ccc(OC)cc2)c(c1)[N+]([O-])=O |w:7.6|
BDBM50975 CC(C)OC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
BDBM50789 CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
BDBM50806 CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
BDBM49443 Cn1cccc1\C=C1/CCC\C(=C/c2cccn2C)C1=O
BDBM49444 CCc1ccc(cc1)C1=NN(C(C1)c1cccs1)S(C)(=O)=O |t:9|
BDBM49178 CCOC(=O)CSc1nc2cc(C)ccc2cc1C#N
BDBM49179 CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
BDBM49695 COc1ccc2nc(SCC(C)=O)c(cc2c1)C#N
BDBM49192 COC(=O)CSc1nc2cc(OC)ccc2cc1C#N
BDBM49574 N#C\C(=C\c1ccco1)c1nc2ccccc2s1
BDBM53358 CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1
BDBM52208 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#8]-1)=[#6]-1\[#7]=[#6](-[#8]-[#6]-1=O)-c1ccccc1 |c:10,t:1,4|
BDBM52303 COC(=O)\C=C1\N(C(=S)N(C1=O)c1nc2ccccc2s1)c1ccc(F)cc1
BDBM52596 Fc1ccc(\C=C\c2nc3ccccc3[nH]c2=O)cc1
BDBM52675 COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1
BDBM52217 COc1ccc2N(C)\C(Sc2c1)=C\C(=O)c1ccncc1
BDBM52254 COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1 |w:6.5|
BDBM52315 CN1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C1=O |w:5.5|
BDBM52493 COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl
BDBM52362 CN(C)C=Cc1oc(=O)c(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(C)=O |w:4.4|
BDBM52390 FC(F)(F)c1cc(=O)n(nc1C(=O)Nc1ccccc1)-c1ccccc1
BDBM52480 [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
BDBM52261 Oc1oc(\C=C\c2cccc(c2)[N+]([O-])=O)nc1\C=N\c1ccccc1
BDBM52262 Oc1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1
BDBM52488 Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(SC(F)F)cc2)\C#N)n(n1)-c1ccccc1
BDBM52540 COc1ccc(cc1OC)N=CCC(=O)c1ccc(C)cc1 |w:10.10|
BDBM52344 Cc1ccc(\C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)s1
BDBM52437 CCn1c(\C=C\c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
BDBM52227 CCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
BDBM52270 CCN1C(=S)O\C(C1=O)=C1/C=Cc2ccccc2N1C |c:11|
BDBM52585 Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1
BDBM52656 CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|
BDBM52233 O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1
BDBM52281 CCN(CC)c1ccc(cc1)N=Cc1ccc(cc1O)N(CC)CC |w:11.11|
BDBM52459 COc1ccc2n(CCCN3C(=O)c4ccccc4C3=O)c3nc4ccccc4nc3c2c1
BDBM52239 COc1ccc(\C=C\c2nc3sc4CCCc4c3c(=O)o2)cc1
BDBM52448 Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|
BDBM53194 NC(=O)c1c(NC(=O)c2ccccc2)sc2CN(Cc3ccccc3)CCc12
BDBM53222 CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:16.17|
BDBM52924 Cc1ccc(NNC2=c3cc(F)ccc3=NC2=O)cc1 |c:7,15|
BDBM53072 CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
BDBM52930 Cn1nc(cc1-c1ccc(\C=C(/C#N)C(=O)c2ccccc2)s1)C(F)(F)F
BDBM53283 COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(OC)cc2)c2ccccc12 |w:8.7|
BDBM53300 COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2cccnc2)C1=O
BDBM53082 Cc1ccc(Cl)c2=C(NNc3ccccc3)C(=O)N=c12 |c:6,t:19|
BDBM53161 Clc1cccc(NNC2=c3ccccc3=NC2=O)c1 |c:8,15|
BDBM53351 CCCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nnc(C)s1
BDBM52898 COc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)c(OC)c1 |w:6.5|
BDBM53203 [#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
BDBM53059 [O-]c1ccccc1\N=c1/ccc([N+]([O-])=O)c2[nH]o[nH+]c12
BDBM53063 CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
BDBM53151 CCCCN1C(=O)NC(=O)\C(=C\c2c[nH]c3ccccc23)C1=O
BDBM52819 COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1OC
BDBM52119 CC(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
BDBM52132 CC(=O)N1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 |w:14.14|
BDBM52143 O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1
BDBM55532 Cc1nc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)ccc1Br
BDBM55031 Cc1cn2c([NH-])c([CH+]c3ccc(o3)[N+]([O-])=O)c(=O)nc2s1
BDBM58125 NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|
BDBM58137 Oc1ccc(NC=C2C(=O)N(Cc3ccccc3)C(=O)c3ccccc23)cc1 |w:6.5|
BDBM57749 [O-][N+](=O)c1ccc(o1)C(=O)[C-](C#N)c1[nH]c2ccccc2[nH+]1
BDBM56436 CC(C)(C)c1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM60871 CCn1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:4.3|
BDBM60553 CC(C)(C)OC(=O)NN=Cc1ccc(s1)N1CCOCC1 |w:8.7|
BDBM61015 COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
BDBM59006 CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C |c:9|
BDBM58428 OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
BDBM58429 Oc1cccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)c1
BDBM63376 NC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2CN(Cc3ccccc3)CCc12
BDBM62545 Cc1cccc2cc3c(N)c(sc3nc12)C#N
BDBM61860 O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
BDBM61896 Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM61783 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
BDBM61612 COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1
BDBM61238 O=C1NC(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 |(20.38,2.19,;18.87,1.87,;17.84,3.02,;16.34,2.7,;15.31,3.85,;15.86,1.24,;14.35,.92,;13.87,-.54,;14.77,-1.78,;13.87,-3.02,;12.42,-2.55,;11.08,-3.32,;9.75,-2.55,;9.75,-1.01,;8.41,-.24,;7.08,-1.01,;5.75,-.24,;5.75,1.3,;4.41,2.07,;3.08,1.3,;3.08,-.24,;4.41,-1.01,;11.08,-.24,;12.42,-1.01,;16.89,.09,;16.41,-1.37,;18.39,.41,)|
BDBM61621 COCCN1C(=S)S\C(=C/c2ccc(cc2)N2CCCC2)C1=O
BDBM66106 CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
BDBM66405 Cc1ccc(NC(=O)c2ccc(NCC3CCCO3)c(c2)[N+]([O-])=O)cc1Cl
BDBM66133 CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:11|
BDBM66139 CCOc1cc2CC(C)Oc2cc1\C=C\c1noc(C)c1[N+]([O-])=O
BDBM66144 Fc1ccc(cc1)N1N\C(S\C1=C1\C(=O)C=Cc2ccccc12)=[NH+]\c1ccccc1 |c:17|
BDBM64023 Cc1cc(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(C)c1Cl |w:7.7|
BDBM65123 Oc1ccc2ccccc2c1C=NNC(=O)CSCC(=O)Nc1ccccc1 |w:12.14|
BDBM68124 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1
BDBM67446 COc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1
BDBM67749 Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1
BDBM67581 CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O
BDBM66918 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
BDBM66698 COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(Br)cc1
BDBM71114 Cl[#6]-[#6](=O)-[#7]\[#7]=[#6](\c1ccccc1)-c1ccccc1
BDBM69915 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1CN1CCOCC1
BDBM69390 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
BDBM73910 CCOc1ccc2n(C)c3nc4ccccc4nc3c2c1
BDBM73876 COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1 |c:11|
BDBM73022 SC1=NC(=O)C(S1)=Cc1ccc(OC(=O)c2ccco2)cc1 |w:7.8,t:1|
BDBM73259 Cn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM75969 Cn1nc(-c2ccc(cc2)C(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O
BDBM75974 O=C(CSc1nc(nc2ccccc12)-c1ccccc1)Nc1nccs1
BDBM74865 Fc1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
BDBM75025 CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
BDBM74882 CCOC(=O)C(=NNc1ccc(cc1)C(C)=O)c1csc(Nc2ccccc2)n1 |w:6.6|
BDBM78759 COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
BDBM78794 COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CC(C)(C)NC2(C)C
BDBM77356 Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
BDBM77499 COc1ccccc1Nc1nc2c(C)cccc2cc1C#N
BDBM78178 COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2cccc(O)c2)n1
BDBM77549 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ncccn1
BDBM76552 CN(C)c1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM81278 Cc1ccc(cc1)S(=O)c1ccc([N+]([O-])=O)c2nonc12
BDBM80753 Oc1ccc2ccccc2c1C1=CC(=O)C(=O)c2ccccc12 |t:13|
BDBM81197 Oc1ccc2[C@@H]3c4cc(O)c(O)cc4C[C@]3(O)COc2c1O
BDBM79789 [O-][N+](=O)c1ccc(N=NCc2cccc3ccccc23)nc1 |w:8.8|
BDBM79979 COc1ccccc1C(=O)NC(N)=Nc1nc2ccccc2o1 |w:13.14|
BDBM79914 Cc1cccc2c3nc4ccccc4nc3n(C)c12
BDBM79706 [O-][N+](=O)c1ccc(N2CCCC2)c2ncccc12
BDBM83653 CCCc1ccc(O)c(c1)N=Cc1c(O)ccc2ccccc12 |w:10.10|
BDBM83654 Cc1cc2nc3c(nc2cc1NC(=O)C(F)(F)F)[nH]c(=S)[nH]c3=O
BDBM83655 CNc1ccc(\C=C(/C#N)C(=O)Nc2ccccn2)cc1[N+]([O-])=O
BDBM83722 CC1=CC2=C(C=O)C(=O)C(C)(O)C(O)C2=CO1 |c:3,15,t:1|
BDBM83723 OCCN(C(=O)CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)c1ccccc1
BDBM83552 CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM83553 Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCc2ccccc12
BDBM83554 [O-][N+](=O)c1cc(ccc1NCCc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
BDBM83555 COC(=O)c1sc2nc(SCc3cccc(F)c3)n(N)c(=O)c2c1C
BDBM83556 COc1ccc(-c2ccc([CH+]c3c([NH-])n4c(C)csc4nc3=O)o2)c(c1)[N+]([O-])=O
BDBM83557 COc1ccc(\C=C\c2cc(=O)c3cc(Cl)ccc3o2)cc1
BDBM83558 Cc1cc(O)n(c1O)-c1ccc(NCc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
BDBM83621 CCOC(=O)C(=NNc1cc(Cl)ccc1OC)C#N |w:6.6|
BDBM83656 Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)NCc3ccc4OCOc4c3)c2N)c(C)c1
BDBM83657 Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc(F)cc1
BDBM83658 CCOc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1
BDBM83659 COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
BDBM83660 COc1ccc(C)cc1Nc1[nH+][n+](c(s1)-[c-]1cc(cc(OC)c1=O)[N+]([O-])=O)-c1ccccc1
BDBM83661 COc1cccc(c1)-c1cc([nH]n1)C(=O)N1CCc2ccccc2C1
BDBM83662 COc1ccc(cc1S(=O)(=O)N1CCOc2ccc(C)cc12)-c1cc(C)no1
BDBM83663 CCC(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2)cc1
BDBM83664 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccc(C)o1
BDBM83665 [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]Nc3ccc(F)cc3)c2c1 |w:11.11|
BDBM83666 Cc1ccc(cc1)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
BDBM83667 Cc1ccc(o1)-c1ccccc1NC(=O)CS(=O)CC(=O)Nc1ccc(C)c(Cl)c1
BDBM83668 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccco1
BDBM83669 CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1
BDBM83670 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c(C)nc3ccccc3c2o1
BDBM83671 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1
BDBM83672 Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1C)[N+]([O-])=O |w:9.9|
BDBM83673 CSc1nnc(s1)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(C)cc1
BDBM83674 NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4CCCCc4c(=O)oc3c2)cc1
BDBM83675 Cn1cc(Cl)c(n1)C(=O)NN=Cc1ccc2CCc3cccc1c23
BDBM83676 Cc1cc(OCC(=O)NCc2ccc(cc2)S(N)(=O)=O)c2c3CCCc3c(=O)oc2c1
BDBM83677 COc1ccc(cc1)C(=O)NN=Cc1coc2ccc(C)cc2c1=O
BDBM83678 Cc1ccc(cc1C)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CC=C)c1=N
BDBM83679 COc1cc(OC)c(\C=C(/C#N)C(=O)NCc2cccs2)cc1OC
BDBM83680 C\C(=[NH+]/NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1c[n-]c2ccccc12
BDBM83681 CCSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(OC)c1
BDBM83682 O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1
BDBM83683 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc3OCOc3c2)c1CSc1ccccc1
BDBM83684 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccs1
BDBM83685 CSc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NCC(=O)OCCOc1ccccc1
BDBM83686 COc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1
BDBM83687 Cc1ccc(cc1C)-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
BDBM83688 CN(CC(=O)Nc1ccccc1Cl)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
BDBM83689 COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nc(C)c(s1)C(C)=O
BDBM83487 Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1
BDBM83586 CSC1=N\C(=C/c2ccc(C)s2)C(=O)S1 |t:2|
BDBM83587 Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1cc(N)n(n1)S(C)(=O)=O
BDBM83622 COc1ccc2nc3cc(Cl)ccc3c(C#N)c2c1
BDBM83690 Cc1sc(NC(=O)CSc2nnc(N)[nH]2)c(C#N)c1C
BDBM83588 Cc1cc(NC(=O)CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)-c2ccccc2Cl)no1
BDBM83589 COc1ccc(CN2C(=O)NC(=O)\C(=C\c3ccc[nH]3)C2=O)cc1
BDBM83590 COCCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NCCOC
BDBM83591 CC(=O)Nc1cc(Cl)c(cc1Cl)N=Cc1ccc(O)cc1O |w:12.12|
BDBM83592 Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1
BDBM83691 [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM83692 [H][C@]12COc3ccc(C)cc3[C@]1([H])N1C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]1(C)[C@H]2c1ccccc1
BDBM83693 [H][C@]12COc3ccc(C)cc3[C@]1([H])N1C(=O)CN(CCCC)C(=O)[C@@]1(C)[C@H]2c1ccccc1
BDBM83694 CC1CCN(CC1)c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccc(F)cc1
BDBM83695 CN(C)c1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)C#CC1(O)CCCCC1
BDBM83696 Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 |w:4.4|
BDBM83697 Cc1cccc(C)c1-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O |(5.19,6.38,;4.86,4.88,;3.4,4.4,;3.08,2.9,;4.22,1.87,;5.69,2.34,;6.83,1.31,;6.01,3.85,;7.47,4.32,;7.95,5.79,;9.49,5.79,;9.97,4.32,;8.72,3.42,;8.72,1.88,;10.05,1.11,;10.05,-.43,;8.72,-1.2,;11.39,-1.2,;11.39,-2.74,;10.05,-3.51,;12.72,-3.51,;12.72,-5.05,;11.95,-6.38,;13.49,-6.38,;14.05,-2.74,;15.39,-3.51,;14.05,-1.2,;12.72,-.43,;12.72,1.11,)|
BDBM83492 CCOC(=O)CSc1nc2ccc(C)cc2cc1C#N
BDBM83493 Cc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1
BDBM83559 Fc1ccccc1NNC1=c2ccccc2=NC1=O |c:10,17|
BDBM83560 COC(=O)CSc1cc(cc2n(nc(C3OCCO3)c12)-c1ccccc1)[N+]([O-])=O
BDBM83561 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc1cccs1)c1cccc2cccnc12
BDBM83562 Cc1ccc(N=Cc2c(O)n(-c3nccs3)c(=O)c3ccccc23)c(C)c1 |w:5.4|
BDBM83640 Oc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
BDBM83641 COc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2O)c1
BDBM83642 COc1cc2CCN=C(CC(=O)c3ccc(c(C)c3)[N+]([O-])=O)c2cc1OC |t:7|
BDBM83643 NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)Nc1ccccc1F
BDBM83494 CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM83495 COC(=O)c1c2CCN(Cc2sc1N=CN(C)C)c1ncc(cc1Cl)C(F)(F)F
BDBM83496 O=C1N(C(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2ccccc12)c1ccccn1
BDBM83497 ClC1=C(NCCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O |c:1|
BDBM83498 Cc1ccccc1NC(=O)C1N(C(=O)C[n+]2ccccc12)c1c(C)cccc1C
BDBM83499 Clc1ccc(CON=CNC(=O)NOCc2c(Cl)cccc2Cl)c(Cl)c1 |w:7.6|
BDBM83500 Nc1c(sc2nc3CCCc3c(-c3ccco3)c12)C(=O)Nc1ccccc1
BDBM83501 CCN(CC)c1ccc(C=Nc2ccc(cc2)N(C)C)c(O)c1 |w:10.10|
BDBM83502 Cc1cc(-c2ccccc2)c2c3n(C)c(=O)n(C)c(=O)c3c(-c3ccccc3)n2n1
BDBM83503 COc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NC3CCCC3)c(=O)c2cc1OC
BDBM83504 O=C(Nc1cccc2ccccc12)N1CCC(=CC1)c1ccccc1 |c:18|
BDBM83505 O=c1oc(\C=C\c2ccccc2)nc2sc3CCCc3c12
BDBM83506 CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
BDBM83527 CCOC(=O)C(=NNc1cc(OC)ccc1OC)C#N |w:6.6|
BDBM83528 COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(c1)[N+]([O-])=O
BDBM83529 CC(=O)n1cc(\C=C2\N=C(OC2=O)c2ccccc2)c2ccccc12 |c:8|
BDBM83563 O=C(Nc1ccc(cc1)C(=O)NN=Cc1cccnc1)C(c1ccccc1)c1ccccc1
BDBM83564 CC(C)OC(=O)C(=C\c1ccc(o1)-c1ccc(SC(F)F)cc1)\C#N
BDBM83593 NNS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O
BDBM83508 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2C1c1ccc(OC)c(OC)c1 |c:5,t:8|
BDBM83509 Cc1ccc(O)c(c1)C1=Nc2ccccc2N=C(C1)c1ccco1 |c:18,t:9|
BDBM83510 Cn1ncc(N=Cc2c(O)ccc3ccccc23)c1C(=O)Nc1cccc(Cl)c1 |w:5.4|
BDBM83511 Clc1ccc(cc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1)-n1cnnc1
BDBM83512 O=c1[nH]cnc2scc(-c3ccc(cc3)-c3ccccc3)c12
BDBM83513 Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1
BDBM83514 CC(=O)N1CC[C+](CC1)[N-]NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
BDBM83530 COc1ccc(Nc2nc3ccc(C)cc3cc2C#N)c(OC)c1
BDBM83531 Cc1cccc(c1)-n1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
BDBM83532 Clc1cccc(OCC(=O)NN=Cc2cc3ccccc3nc2Cl)c1
BDBM83533 Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
BDBM83534 [O-][N+](=O)c1cc(ccc1NCCc1ccccc1)C(=O)Nc1ccccc1
BDBM83535 Cc1ccc2c(Cl)c(sc2c1)C(=O)NN=Cc1cccn1C
BDBM83536 Cc1ccc(NC(=O)c2ccc(NCc3ccco3)c(c2)[N+]([O-])=O)cc1Cl
BDBM83537 CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OC)cc1[N+]([O-])=O
BDBM83538 O=C(N=c1ccn(cc1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1cccs1 |(8.18,6,;6.85,5.23,;6.85,3.69,;8.18,2.92,;9.52,3.69,;10.85,2.92,;10.85,1.38,;9.52,.61,;8.18,1.38,;12.19,.61,;13.52,1.38,;14.85,.61,;16.23,1.44,;17.63,.65,;17.63,-.96,;16.23,-1.75,;14.85,-.93,;13.52,-1.7,;12.19,-.93,;10.85,-1.7,;10.85,-3.24,;9.31,-3.24,;12.39,-3.24,;10.85,-4.78,;12.19,-5.55,;12.19,-7.09,;10.85,-7.86,;9.52,-7.09,;9.52,-5.55,;5.52,6,;5.36,7.54,;3.85,7.86,;3.08,6.52,;4.11,5.38,)|
BDBM83539 Cc1ccc2cc3c(N)c(sc3nc2c1)C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O
BDBM83540 Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:14.16|
BDBM83541 Cn1cccc1\C=C1/SC(=O)N(C1=O)c1ccc(O)cc1
BDBM83542 Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:15.17|
BDBM83543 CC(=O)Nc1ccc(cc1)C(=O)CSc1cc(C)c2cccc(C)c2n1
BDBM83544 Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c(c2)[N+]([O-])=O)c1
BDBM83545 CCn1c(C)c(\C=C\c2nc3ccccc3c(=O)n2CC)c2ccccc12
BDBM83546 Nc1c(sc2nc3CCCc3cc12)C(=O)c1ccc(Cl)cc1
BDBM83547 [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc(cs2)C2CC2)cc1
BDBM83566 Oc1n(-c2cccc(c2)C(F)(F)F)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
BDBM83567 CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2CN(C)CCc12
BDBM83568 CCOC(=O)Cn1c2ccccc2s\c1=N/C(=O)c1ccc(s1)[N+]([O-])=O
BDBM83569 Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[N-][C+]1CCC(CC1)C(C)(C)C |(7.08,-8.09,;7.08,-6.55,;8.41,-5.78,;8.41,-4.24,;7.08,-3.47,;5.75,-4.24,;5.75,-5.78,;4.41,-6.55,;3.08,-5.78,;4.41,-8.09,;7.08,-1.93,;8.62,-1.93,;5.54,-1.93,;7.08,-.39,;8.41,.39,;8.41,1.93,;7.08,2.7,;7.08,4.24,;8.41,5.01,;9.75,4.24,;9.75,2.7,;8.41,6.55,;8.41,8.09,;9.95,6.55,;6.87,6.55,)|
BDBM83570 CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCCOC
BDBM83571 CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1
BDBM83572 CC(=O)c1cc2c(C)c(oc2cc1O)C(=O)c1ccccc1
BDBM83573 Oc1n(-c2cccc(F)c2)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
BDBM83574 [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
BDBM83575 Cc1ccc(C)c(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccccc2)c1
BDBM83576 Fc1ccc(cc1)C(=O)NC(=O)Nc1nc(cc(n1)C(F)(F)F)-c1cccs1
BDBM83577 N#C\C(=C/c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)c1nc2ccccc2[nH]1
BDBM83578 CCc1cccc(CC)c1NC(=O)COC(=O)C(=C\c1ccc(OC)cc1)\C#N
BDBM83594 [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cc(-[#6])ccc1-[#8])\[#6](-[#6])=O
BDBM83595 Oc1cccc(c1)C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2cccs2)C1=O
BDBM83596 O=C1NC(=O)C(=CCC=Nc2ccccc2)C(=O)N1C1CCCCC1 |w:9.9,6.6|
BDBM83565 Cn1cccc1\C=C1/SC(=O)N(C1=O)c1ccccc1
BDBM83597 COc1ccccc1N1C(=O)S\C(=C/c2cc(C)n(C)c2C)C1=O
BDBM83598 Cc1cc(ccc1\C=C1/SC(=O)N(CC#C)C1=O)N1CCOCC1
BDBM83599 Cc1ccc(cc1)-c1nc2sc(C#N)c(N)n2c(=O)c1C#N
BDBM83698 Nc1cc(SCc2ccc(Cl)cc2Cl)ncn1
BDBM83699 [O-][N+](=O)c1ccc(N=NCc2ccc3OCOc3c2)nc1 |w:7.6|
BDBM83700 Cc1cc(NC(=O)C(=C/c2ccc(o2)-c2ccc(SC(F)F)cc2)\C#N)n(n1)-c1ccccc1
BDBM83242 Nc1c(sc2nsc(SCCN3CCCCC3)c12)C(=O)c1cccs1
BDBM83304 Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2F)ccc2ccccc12
BDBM83466 Cc1sc(NC(=O)COc2cccc(c2)-n2cnnn2)c(C#N)c1C
BDBM83600 Fc1ccc(CN=Nc2nc3ccccc3c(=O)[nH]2)cc1 |w:7.7|
BDBM83601 COc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1
BDBM83602 COc1ccccc1N=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O |w:8.8|
BDBM83701 [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1 |c:27|
BDBM83702 Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1-n1ccc(cc1)=NC(=O)c1cccs1 |(10.85,-8.63,;10.85,-7.09,;12.19,-6.32,;12.19,-4.78,;10.85,-4.01,;9.52,-4.78,;9.52,-6.32,;10.85,-2.47,;9.31,-2.47,;12.39,-2.47,;10.85,-.93,;12.19,-.16,;13.52,-.93,;14.85,-.16,;16.23,-.98,;17.63,-.19,;17.63,1.42,;16.23,2.21,;14.85,1.38,;13.52,2.15,;12.19,1.38,;10.85,2.15,;10.85,3.69,;9.52,4.46,;8.18,3.69,;8.18,2.15,;9.52,1.38,;6.85,4.46,;6.85,6,;8.18,6.77,;5.52,6.77,;5.36,8.31,;3.85,8.63,;3.08,7.29,;4.11,6.15,)|
BDBM83580 Clc1cccc(c1)C(Cc1nc2ccccc2[nH]1)N=Nc1ccccc1 |w:18.20|
BDBM83581 Cc1[nH]c2ccccc2c1\C=C(/C#N)C(=O)NCc1ccccc1
BDBM83582 Cc1sc2nc(CSc3nnnn3-c3ccc(C)cc3)[nH]c(=O)c2c1C
BDBM83583 CCN(CCNc1ccc([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
BDBM83584 CN(C)c1ccc(\C=C\C(=O)c2cccc(NC(C)=O)c2)cc1
BDBM83585 COC(=O)C1=C(C)N(Cc2ccco2)C(=O)\C1=C/c1ccc(cc1)N(C)C |c:4|
BDBM83603 N(c1cccc2nccnc12)c1cccc2nccnc12
BDBM83604 CCN1C(C)=C(C)S\C1=C1/SC(=S)N(C2CCCCC2)C1=O |t:4|
BDBM83605 Cc1ccc(cc1NC=C1CCCCC1=O)[N+]([O-])=O |w:8.8|
BDBM83703 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(Cl)cc2)c1=N
BDBM83704 CC1CC[C+](CC1)[N-]NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |(5.95,7.7,;5.95,6.16,;4.62,5.39,;4.62,3.85,;5.95,3.08,;7.29,3.85,;7.29,5.39,;5.95,1.54,;4.62,.77,;4.62,-.77,;6.16,-.77,;3.08,-.77,;4.62,-2.31,;3.29,-3.08,;3.29,-4.62,;4.62,-5.39,;5.95,-4.62,;5.95,-3.08,;4.62,-6.93,;3.29,-7.7,;5.95,-7.7,)|
BDBM83467 COC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N
BDBM83468 COC(=O)c1ccccc1NC(=O)Cn1cnc2n(ncc2c1=O)-c1ccccc1
BDBM83469 CCN1C(=S)O\C(C1=O)=C1\C=Cc2ccccc2N1CC |c:11|
BDBM83606 [#6]C1([#6])[#8]\[#6](=[#6]/[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)-[#6]=[#6](-[#8]1)-c1ccccc1 |c:17|
BDBM83607 [#6]-[#6]-[#8]-[#6](=O)-c1c(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)sc2-[#6]-[#6]-[#6]-c12
BDBM83608 CCCn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cccs1
BDBM83609 CN(C(=O)COC(=O)c1ccc(cc1N)[N+]([O-])=O)c1ccccc1
BDBM83610 C=CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCC1CCCO1
BDBM83611 O=C(COC(=O)c1ccccc1C(=O)N1CCN(CC1)c1ccccc1)NCc1ccccc1
BDBM83612 CC1(C)CC(=O)[C-](N=[NH+]c2cc3OCCOc3cc2[N+]([O-])=O)C(=O)C1 |w:7.6|
BDBM83613 Cc1cc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)c(C)n1C1CC1 |w:4.3|
BDBM83614 CCc1ccc[n+](c1)-c1nc2ccccc2nc1[C-](C#N)C#N
BDBM83615 CN(C)C=c1sc2c(cc(C(=O)c3ccc(Br)cc3)n2c1=O)C#N
BDBM83616 CCC(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM83639 [O-][N+](=O)c1cc(ccc1NCC1CCCO1)C(F)(F)F
BDBM83705 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N[N-][C+]1CCCCC1
BDBM83707 COCCCn1c(=O)\c(=C\c2ccccc2OC(F)F)s\c1=C(/C#N)C(=O)NCCOC
BDBM83470 [NH-]c1c[n+](no1)N1CCOCC1
BDBM83471 COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1
BDBM83472 COC(=O)c1nn2c(cc(nc2c1Br)-c1ccc(Br)o1)C(F)(F)F
BDBM83507 O=c1oc(\C=C\c2ccco2)nc2sc3CCCc3c12
BDBM83708 CN(C)c1ccc(C=C2C=Cc3ccccc23)cc1 |c:9|
BDBM83709 CN(\N=C\c1cccc2cccnc12)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM83710 Cl.CN(C)CCCn1c2c(ccc3ccccc23)c2oc(=O)c3ccccc3c12
BDBM83473 COc1cccc(c1)C1=Nc2nnnn2C(C1)c1ccc(cc1)N(C)C |t:9|
BDBM83474 Oc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1
BDBM83475 COC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
BDBM83476 Cc1cccc(c1)C(=O)OCc1cc2ccccc2[nH]c1=O
BDBM83620 CCN(CC)CCn1c2sc3CN(C)CCc3c2c(=O)n(-c2ccc(Cl)cc2)c1=O
BDBM83711 [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM83712 [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)CN(CCCC)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM83713 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1
BDBM83477 Cc1oc(C)c2c1c1OC(=N)C(C#N)C(c3ccccc3)c1ccc2=O
BDBM83478 Cn1c2ncn(CC(=O)Nc3nc(cs3)-c3ccccc3Cl)c2c(=O)n(C)c1=O
BDBM83644 C#CCN1c2ccccc2Sc2cccnc12
BDBM83645 CN(C)c1ccc(C=NN(CCC#N)C2=NS(=O)(=O)c3ccccc23)cc1 |t:14|
BDBM83646 Oc1cccc2ccc(\C=C\c3ccc(cc3)[N+]([O-])=O)nc12
BDBM83715 [H][C@]1(NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C1CSC(=N1)C(N)C(C)CC)[C@@H](C)CC)[C@@H](C)CC |c:88|
BDBM83716 Oc1ccccc1C=NN=Cc1c(O)ccc2ccccc12 |w:9.9,7.7|
BDBM83479 [#6]-[#6]-[#7]1-[#6](=S)-[#16]-[#6](=O)\[#6]-1=[#6]-1/[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-1 |c:16,t:11|
BDBM83480 CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1
BDBM83548 Cc1ccc(cc1)C1=C\C(=C\c2cccs2)C(=O)O1 |t:8|
BDBM83579 CCC(N=Nc1cccc(C)c1)c1cnnc(SC)n1 |w:4.4|
BDBM83647 Cn1c(CNc2ccc(O)cc2)nc2ccccc12
BDBM83648 Cc1ccc2nc(NCCc3ccc(Cl)cc3)c3nncn3c2c1
BDBM83649 Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccccc1
BDBM83717 Oc1csc(=S)n1N=Cc1c(O)ccc2ccccc12 |w:7.7|
BDBM83718 CN(\N=C\c1ccc(cc1)[N+]([O-])=O)c1ccccn1
BDBM83719 [O-][N+](=O)c1ccc(\C=C\C=C\c2ccccc2)cc1
BDBM83720 Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c1ccc2ccccc2c1
BDBM83721 COC(=O)CC1(Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O)C(=O)OC
BDBM83255 COc1ccc(OC)c(\C=C\c2nc3ccccc3[nH]c2=O)c1
BDBM83481 CCOc1ccccc1NC(=O)Cn1cnc2n(ncc2c1=O)-c1ccc(C)c(C)c1
BDBM83482 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccc2OCOc2c1
BDBM83483 CCCCOc1ccc(OCCCC)c2NC3(Nc12)C(=O)N(C(C)=O)c1ccccc31
BDBM83484 Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
BDBM83485 O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2OCCOc2c1
BDBM83486 CN(C)c1ccc(cc1)C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:12|
BDBM83515 CCOc1ccc(cc1)S(=O)(=O)NN
BDBM83516 NC(=O)CSc1nnc(o1)-c1cc(nc2ccccc12)-c1cccs1
BDBM83549 Cc1cc(O)cc(O)c1C=NCc1ccco1 |w:10.11|
BDBM83550 COc1ccc(CN=Nc2ccc(cc2S(=O)(=O)N2CCN(C)CC2)[N+]([O-])=O)cc1 |w:8.8|
BDBM83551 CN1\C(Sc2cc3OCOc3cc12)=C\C(=O)c1ccc(Cl)cc1
BDBM83617 Cc1ccc(c(C)c1N1CCCC1=O)S(=O)(=O)NN
BDBM83618 CC[C+](C)[N-]NS(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM83619 CCOc1ccc2NC(=O)\C(Sc2c1)=C\c1cccs1
BDBM83623 CCOC(=O)C1=C(C)N(CC(C)C)C(=O)\C1=C/c1cccs1 |c:5|
BDBM83624 OCCCn1cnc2Oc3cc(O)ccc3C(c3ccccc3)c2c1=N
BDBM83625 O=C(CSc1nc(ccc1C#N)-c1cccnc1)c1ccccc1
BDBM83626 COc1ccc2c(C)cc(SCC(=O)Nc3cc(cc(c3)C(N)=O)C(N)=O)nc2c1
BDBM83627 Oc1ccccc1N=Cc1c(O)n(-c2nccs2)c(=O)c2ccccc12 |w:7.7|
BDBM83628 CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2CN(C)CCc12
BDBM83629 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccccc1
BDBM83630 NNS(=O)(=O)c1ccc(Sc2ccccn2)c(c1)[N+]([O-])=O
BDBM83631 [O-][N+](=O)c1cc(ccc1NCCOC(=O)c1cc2ccccc2oc1=O)C(F)(F)F
BDBM83632 CCOC(=O)C[n+]1ccc2ccccc2c1Cc1cc(OC)c(OC)c(OC)c1
BDBM83633 COc1cc(\C=C2/N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(F)c1
BDBM83634 COc1ccc(cc1)-c1cc(c2c(N)c(sc2n1)C(=O)NCCSC)C(F)(F)F
BDBM83635 Cn1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O
BDBM83636 COc1cc2OCOc2cc1\C=C1/SC(=O)N(CC#C)C1=O
BDBM83637 [O-][N+](=O)c1ccc(\C=C\c2nc3ccccc3c(=O)o2)s1
BDBM83638 CCC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12
BDBM83650 Fc1ccc(NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:7,15|
BDBM83651 COc1ccc(Br)c(c1)C(=O)OCc1cc(=O)oc2cc(C)ccc12
BDBM83652 NNS(=O)(=O)c1ccc-2c(Cc3cc(ccc-23)S(=O)(=O)NN)c1
BDBM83270 CCN(CC)c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)cc1 |w:10.9|
BDBM83488 CC1CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1coc2ccccc2c1=O |c:5|
BDBM83489 COC(=O)C1=C(C)N(C)C(C)=C(C1c1ccccn1)C(=O)OC |c:4,10|
BDBM83490 COc1cc(\C=C2/N=C(SCC=C)SC2=O)cc2OCOc12 |t:7|
BDBM83491 Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(C1)c1ccco1 |c:18,t:9|
BDBM83517 Cc1ccccc1Cn1cccc1\C=C1/C(=O)N=C2SC=CN2C1=N |c:22,t:19|
BDBM83518 Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)Nc1nccs1
BDBM83519 COc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
BDBM83520 Cc1cc(C)n(n1)-c1nc2nonc2nc1Nc1cccc(C)c1C
BDBM83521 COc1cc(C=NNC(=O)c2cccnc2)ccc1OC(=O)c1ccc2OCOc2c1
BDBM83522 Cc1ccc2c(n1)sc1c(-c3ccccc3)c(C#N)c(N)nc21
BDBM83523 Cc1ccc(cc1)-c1cc(C#N)c(=O)n(Cc2c(Cl)cccc2Cl)c1
BDBM83524 COc1ccc(OCCNc2cc(Cl)ccc2[N+]([O-])=O)cc1
BDBM83525 Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(c1)-n1nc2ccccc2n1
BDBM83526 Cc1nc2ccc(cc2nc1C)C(=O)OCc1ccccc1Br
BDBM83213 COc1cc2n(Cc3cccc(C)c3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
BDBM83214 CC1C\C(=C\c2cccn2C)C(=O)\C(C1)=C\c1cccn1C
BDBM82696 [#6]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
BDBM84111 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N\[NH+]=C\c1c[n-]c2ccccc12
BDBM50045936 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
BDBM50251003 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8]
BDBM50273802 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1