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214 SMILES Strings for BCL-W

Compound NameSMILES String
BDBM29643 CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
BDBM29644 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
BDBM21400 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
BDBM21434 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 |r|
BDBM21447 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM25524 COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
BDBM29658 Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
BDBM31713 O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33072 CC1N(C)c2cccc3cccc(N1C)c23
BDBM33149 CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
BDBM33196 COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
BDBM33075 FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
BDBM33076 COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33078 CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
BDBM33079 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C
BDBM33084 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
BDBM33118 CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|
BDBM33126 CC(=O)NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O |c:4|
BDBM33127 Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
BDBM33135 Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
BDBM33136 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
BDBM33152 CNCc1ccccc1Sc1ccc(O)c(O)c1
BDBM33154 Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
BDBM33155 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
BDBM33139 Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
BDBM33141 COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
BDBM33142 Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM33143 CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:12.13,1.0|
BDBM33157 O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33162 Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
BDBM33038 COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
BDBM33145 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
BDBM33040 COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
BDBM33041 Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
BDBM33087 O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33046 Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
BDBM33048 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
BDBM33089 Cc1cc(N)ccc1N1CCCC1
BDBM33091 Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|
BDBM33092 CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
BDBM33093 COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23
BDBM33094 CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1
BDBM33095 COc1ccc2c(C)nn(C)c3cccc1c23
BDBM33164 CCOc1ccccc1CNc1ccc(O)cc1
BDBM33050 O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33169 COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
BDBM33053 COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
BDBM33055 O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33056 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
BDBM33057 Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
BDBM33103 CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
BDBM33104 [O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)c2ccccc2)o1
BDBM33107 CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
BDBM33065 CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33066 CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
BDBM33070 CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
BDBM33071 OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33110 Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
BDBM33188 Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
BDBM33189 COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
BDBM33192 CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
BDBM32278 N(c1ccccc1)c1cccc(Nc2ccccc2)n1
BDBM32306 Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
BDBM32313 Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
BDBM32330 Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
BDBM32267 COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM33102 CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
BDBM33109 Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33171 Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33172 c1coc(c1)-c1nc2cccc3cccc([nH]1)c23
BDBM32273 Cc1cc2-c3ccc(C)n3CCn2c1
BDBM32274 CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
BDBM32275 Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
BDBM32277 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
BDBM32279 CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
BDBM32280 CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
BDBM32281 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
BDBM32282 CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
BDBM32283 COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
BDBM32284 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
BDBM32286 CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
BDBM32288 CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
BDBM32289 O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
BDBM32291 CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
BDBM32294 CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
BDBM32295 CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
BDBM32296 Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
BDBM32297 COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
BDBM32298 Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
BDBM32299 CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
BDBM32300 Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
BDBM32301 OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
BDBM32303 Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM32304 COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
BDBM32308 O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
BDBM32309 COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
BDBM32310 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
BDBM32311 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
BDBM32312 COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM32314 OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
BDBM32316 CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
BDBM32317 COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
BDBM32318 Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
BDBM32319 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
BDBM32320 O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
BDBM32321 O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
BDBM32322 O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
BDBM32323 Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
BDBM32324 COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
BDBM32325 Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
BDBM32326 COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
BDBM32327 COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
BDBM32328 COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
BDBM32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
BDBM32259 Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
BDBM32261 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
BDBM32262 CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
BDBM32263 Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
BDBM32264 C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
BDBM32265 CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32266 COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
BDBM32268 COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32270 COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
BDBM32035 O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
BDBM34967 COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
BDBM43200 COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC
BDBM43202 CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
BDBM43204 COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
BDBM46309 CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
BDBM46312 COc1cc2nc(=S)[nH]c(NCCCOC(C)C)c2cc1OC
BDBM46313 O=C(\C=C\c1ccc(o1)-c1ccccc1)c1ccccc1
BDBM46311 Cc1ccc(CNc2ccc3OCOc3c2)c(C)c1
BDBM53290 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
BDBM54717 CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O |w:11.10|
BDBM54716 COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl
BDBM109232 OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM109233 OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
BDBM109236 NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
BDBM50024671 CCSCCCCC(c1ccc(O)cc1)C(C)(CC)c1ccc(O)cc1
BDBM50107132 CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
BDBM50181019 CCCCc1c(ncn1CCc1ccccc1OC)-c1ccccc1Oc1ccccc1
BDBM50181020 CCCc1c(ncn1Cc1ccccc1OC)-c1ccccc1Oc1ccccc1
BDBM50181021 CCCCc1c(ncn1Cc1cccc(c1)-c1ccccc1)-c1ccccc1OC
BDBM50200960 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccc(cc1)C(C)(C)C
BDBM50200961 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(CC)cc12
BDBM50200962 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
BDBM50200963 CCCc1ccc2OC(=N)C(C(C(C#N)C(=O)OCC)c2c1)C(=O)OCC
BDBM50200964 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)C1CCCC1
BDBM50200965 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(Br)cc12
BDBM50200966 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccccc12
BDBM50200967 CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(C)cc12
BDBM50202284 C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50202269 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
BDBM50202270 Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCC=C)C2=O)cc1
BDBM50202271 CC(C)C[C@H](N1C(=S)S\C(=C(\c2ccccc2)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
BDBM50202272 CCC\C(=C1\SC(=S)N([C@@H](Cc2ccccc2)C(O)=O)C1=O)c1ccccc1
BDBM50202273 OC(=O)CC[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50202274 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-1-[#6](=S)-[#16]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1=O)-[#6](-[#8])=O
BDBM50202275 CCC\C(=C1\SC(=S)N([C@@H](CC(C)C)C(O)=O)C1=O)c1ccccc1
BDBM50202276 [#6]=[#6]-[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-1-[#6](=S)-[#16]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1=O
BDBM50202277 OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
BDBM50202278 CSCC[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50202280 CC(C)C(N1C(=S)S\C(=C\c2ccc(Br)cc2)C1=O)C(O)=O |w:3.20|
BDBM50202281 C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(=O)OCC=C
BDBM50202282 CC(C)C[C@H](N1C(=S)S\C(=C(\C)c2ccccc2)C1=O)C(O)=O
BDBM50202283 CC(C)C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50202285 C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(=O)N1CCOCC1
BDBM50251651 CN(CC(=O)Nc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50251616 CN(CC(=O)Nc1ccc(N2CCSCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50251652 CN(CC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
BDBM50339777 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339778 [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339779 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339780 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339781 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47|
BDBM50339782 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
BDBM50339783 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51|
BDBM50339776 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)S(=O)(=O)C(F)(F)F)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
BDBM50357752 C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357753 C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357754 CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357755 CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357756 CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50372177 OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
BDBM50372178 OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
BDBM50372179 Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
BDBM50372180 OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
BDBM50372172 CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
BDBM50372173 CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O
BDBM50372174 Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
BDBM50372175 Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
BDBM50372176 OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O
BDBM50376902 COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
BDBM50436626 CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1cccc(n1)C(O)=O |w:3.3|
BDBM50436627 Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
BDBM50436628 OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436643 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
BDBM50436645 OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436646 CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:6.6|
BDBM50436648 CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
BDBM50013862 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
BDBM50013863 OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
BDBM50013864 OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
BDBM50013865 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
BDBM50013867 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
BDBM50013839 OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
BDBM50020929 OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020930 OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020938 OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50030754 CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1
BDBM50078160 Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|