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353 SMILES Strings for large T antigen

Compound NameSMILES String
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM4302 C[C@@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
BDBM4304 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM29680 COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
BDBM29615 COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
BDBM31734 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
BDBM31712 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
BDBM31751 Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM31756 Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
BDBM31758 Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
BDBM30842 Cc1ccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)cc1
BDBM33048 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
BDBM33061 CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
BDBM32689 COCC\N=C1/Sc2nc3c(C)cccc3cc2CN1Cc1ccco1
BDBM34274 COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM34278 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
BDBM34295 Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1 |c:17|
BDBM34336 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
BDBM34233 O=c1n([se]c2ccccc12)-c1ccccc1
BDBM34303 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1C |c:23|
BDBM34253 Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1
BDBM32212 Oc1ccc2[nH]ccc2c1
BDBM33060 Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
BDBM32012 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
BDBM32060 Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2ccccc2c1
BDBM32135 Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
BDBM32101 CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
BDBM32189 Cc1cc(=O)oc2c(N)c(O)ccc12
BDBM32041 CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
BDBM32118 COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2ccc(OC)c(OC)c2)c(OC)c1 |c:9|
BDBM34392 CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
BDBM34571 Oc1cc2ccc(=O)oc2cc1O
BDBM34340 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
BDBM34849 Cc1ccccc1-n1sc2cc(F)ccc2c1=O
BDBM34346 Cc1ccnc(n1)-n1sc2ccccc2c1=O
BDBM34679 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
BDBM34709 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
BDBM34504 COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N |c:21|
BDBM34512 Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCN(CC1)c1ccccc1F)c2=O
BDBM34513 COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1
BDBM34514 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(C)CSC2=C1C#N |c:24|
BDBM34519 Cc1cc(C)c2c(n1)sn(CC(=O)N1CCC(CC1)N1CCCCC1)c2=O
BDBM34523 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1Cl |c:13|
BDBM34524 CC1CN(CCN1c1cccc(C)c1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
BDBM34526 CC(C)c1ccc(cc1)C1CC(=O)N2CN(C)CSC2=C1C#N |c:21|
BDBM34716 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
BDBM34751 COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
BDBM34361 OC(=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
BDBM34791 CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
BDBM34684 COc1ccc(cc1)N1CCC(CNC(=O)Nc2cccc(OC)c2)C1
BDBM34966 CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
BDBM35500 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
BDBM37699 O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
BDBM37752 CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
BDBM37483 COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OC)c1OC |c:12|
BDBM37717 CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
BDBM38967 CC(=O)CC1=C(NCc2ccccc2)C(Br)C(=O)O1 |c:4|
BDBM38939 CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
BDBM39017 CN(C)c1ccc(cc1)N=CCC(=O)c1ccccc1 |w:9.9|
BDBM38617 CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
BDBM38869 Nc1ccc(cc1)-c1nc2c(Cl)cc(N)cc2[nH]1
BDBM36880 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
BDBM36908 COc1cc(ccc1O)C#CC#CCN1CCCCC1
BDBM38498 Nc1cc(ccc1Nc1ccccc1)C(O)=O
BDBM37721 CNc1nn(nc1N)-c1cccc(Cl)c1
BDBM38574 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)cc1 |c:23|
BDBM41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
BDBM41233 Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
BDBM41201 CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(OC)cc2)cc1
BDBM40991 Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
BDBM41250 CC(=O)c1cc2c(O)c(O)ccc2o1
BDBM40577 Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
BDBM40810 Oc1ccc(cc1)\N=C1/SCC(=O)N1c1ccc(O)cc1
BDBM40048 OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1
BDBM39612 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM39248 COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCN4CCCC4)c3=O)c2c1
BDBM39547 CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1
BDBM39510 [#8]-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
BDBM43445 OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccccc2)c1=O |w:14.15|
BDBM43572 CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1
BDBM43075 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O |w:11.11|
BDBM42946 Nc1nc2ccc(cc2s1)N1CCOCC1
BDBM46141 O=C1CC(=O)N(Cc2ccco2)C(=O)N1
BDBM46189 COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM43991 COc1cc(C=NN(C)c2ccccc2)ccc1O |w:6.6|
BDBM44451 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
BDBM48567 Brc1ccc(cc1)C1C2C(=O)CCCC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:16|
BDBM48549 COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
BDBM48554 Oc1ccc(-c2n[nH]cc2-c2cccc3cccnc23)c(O)c1
BDBM48424 Oc1ccc(NC(=O)C2CCC=CC2)cc1 |c:11|
BDBM48298 O=C1NC(=O)C(=CNc2sc3CCCCc3c2C#N)C(=O)N1Cc1ccco1 |w:6.6|
BDBM47293 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccccc1Br |t:1|
BDBM46594 CCOc1ccc(cc1)-c1n[nH]c(=S)[nH]1
BDBM50115 Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
BDBM50185 C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
BDBM50039 CN(C)c1ccc(NC(=O)Cn2ncn3c4ccccc4cc3c2=O)cc1
BDBM50247 SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccco2)o1 |w:7.8,t:1|
BDBM50256 CCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
BDBM50270 CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1cccs1 |w:7.6|
BDBM50482 Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8|
BDBM50367 CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50656 Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50728 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|
BDBM50489 Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
BDBM50606 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
BDBM49126 Cc1cc(c(C)o1)-c1nc2c3c4CCCc4sc3nc(=O)n2[nH]1
BDBM49221 CN=c1scc(C)n1N=Cc1ccc(O)cc1 |w:8.8,1.0|
BDBM49743 Cc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)nc1
BDBM49151 NC(=O)Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O
BDBM49291 CCN(CC)c1ccc(NC(=O)c2ccco2)cc1
BDBM49293 CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1
BDBM53767 CCOC(=O)c1c2CCCCCc2sc1N1N(O)c2cc(Cl)c(Cl)cc2NC1=O
BDBM53352 [#7]\[#6](-[#7])=[#7]\[#7]-c1ccc(cc1)-[#7]=[#7]-[#6](-[#7])=S |w:11.11|
BDBM52328 OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
BDBM53211 CN1c2ccc(C=O)c3c(C=O)ccc(N(C)C1(C)C)c23
BDBM52992 Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
BDBM53037 Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O
BDBM52095 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2cc(OC)ccc2OC)c(=O)[nH]c1=O |w:11.11,(4.41,8.09,;5.75,7.32,;5.75,5.78,;4.41,5.01,;3.08,5.78,;7.08,5.01,;7.08,3.47,;8.41,2.7,;9.75,3.47,;9.75,5.01,;8.41,5.78,;11.08,2.7,;11.08,1.16,;12.42,.39,;12.42,-1.16,;11.08,-1.93,;13.75,-1.93,;13.75,-3.47,;15.08,-4.24,;15.08,-5.78,;16.42,-6.55,;16.42,-8.09,;13.75,-6.55,;12.42,-5.78,;12.42,-4.24,;11.08,-3.47,;9.75,-4.24,;15.08,-1.16,;16.42,-1.93,;15.08,.39,;13.75,1.16,;13.75,2.7,)|
BDBM51541 Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
BDBM52077 N=C1C(C#N)C(C#N)(C#N)C2CCCC(N3CCCCC3)=C12 |t:21|
BDBM52079 Nc1ccc2NS(=O)(=O)c3ccccc3-c2c1
BDBM55547 [O-][N+](=O)c1ccccc1-c1ccc([CH+]c2c([n-]oc2=O)-c2ccccc2)o1
BDBM54804 Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM54902 CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
BDBM55058 Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
BDBM55036 Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
BDBM54072 CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8|
BDBM57307 COc1cnc(nc1Oc1ccc(Cl)c2ccccc12)-c1ccccn1
BDBM60345 CN(C)C(=O)c1c(oc2ccc(O)cc12)-c1ccccc1
BDBM60346 COc1ccc(cc1)N1CCN(CC1)C(=O)CN(c1ccccc1)S(C)(=O)=O
BDBM60347 CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(C)cc2)cc1
BDBM60348 CCOC(=O)CNc1c(nc2ccc(Cl)cn12)-c1ccc(O)cc1
BDBM60349 Oc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1ccncc1
BDBM60350 Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(cc3)N3CCOCC3)cc12
BDBM60381 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(-[#8])cc2)-[#6](=O)-[#6]1
BDBM60383 Oc1ccc(NC=C2CCCCC2=O)cc1 |w:6.5|
BDBM60384 CC(=O)Nc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1
BDBM60385 O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCOCC1
BDBM60386 Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
BDBM60387 Oc1ccc(cc1)N1C(=O)c2ccccc2NC11CCCCC1
BDBM58947 Cc1cc(C(=O)c2cccs2)c(N)s1
BDBM60344 Nc1nc(c(NC(=O)c2ccccc2)s1)-c1cccs1
BDBM60388 CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1
BDBM60389 COc1cc(ccc1O)-c1csc(C)n1
BDBM60390 Oc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1ccco1
BDBM60391 CCn1cnc2cc(NCc3cccc(OC)c3O)ccc12
BDBM60392 CCN1C(=O)CC(N2CCC(CC2)Nc2ccc(OC)cc2)C1=O
BDBM60393 Fc1cccc(Cl)c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N |c:26|
BDBM60394 O=C(CSC1=NS(=O)(=O)c2ccccc12)Nc1ccccc1 |t:4|
BDBM60351 Oc1ccc2c(c1)oc1cc(O)ccc21
BDBM60352 COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C
BDBM60353 CC(=O)c1cccc(c1)S(=O)(=O)N1CCCC(C1)c1nc(no1)-c1ccc(C)o1
BDBM60354 O=C1N(Cc2ccccc2)c2ccccc2C1=Nn1cnnc1
BDBM60355 CC(=O)Nc1ccccc1O
BDBM60395 OC(=O)c1ccc(cc1)-c1ccc(O)c(F)c1
BDBM60396 Clc1ccccc1C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:18|
BDBM60356 CN(C)c1ccc(\C=C\c2cc[n+]([O-])cc2)cc1
BDBM60357 CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S
BDBM60358 CC1CN=C(Nc2ccc(cc2)N(C)C)S1 |t:3|
BDBM60397 Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
BDBM60398 CCc1ccc(cc1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:19|
BDBM60399 Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1 |w:16.19|
BDBM60400 CC(=O)N1CCN(CC1)c1ccc(NCc2ccc(C)s2)cc1
BDBM60359 Nc1sc(=S)c2CCCCCc2c1C#N
BDBM60360 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:11.11,(4.41,6.16,;5.75,5.39,;5.75,3.85,;4.41,3.08,;3.08,3.85,;7.08,3.08,;7.08,1.54,;8.41,.77,;9.75,1.54,;9.75,3.08,;8.41,3.85,;11.08,.77,;12.42,1.54,;13.75,.77,;13.75,-.77,;12.42,-1.54,;15.08,-1.54,;15.08,-3.08,;16.42,-3.85,;16.42,-5.39,;15.08,-6.16,;13.75,-5.39,;13.75,-3.85,;12.42,-3.08,;16.42,-.77,;17.75,-1.54,;16.42,.77,;15.08,1.54,;15.08,3.08,)|
BDBM60401 S=c1[nH]c2CCCCc2c(-c2ccco2)c1C#N
BDBM60402 Cc1ccsc1C=Nc1ccc(O)cc1 |w:7.8|
BDBM60361 CCOC(=O)c1cc(sc1N)-c1ccc(N)cc1
BDBM60362 CCN(CC)CCN1C(C(C(=O)c2ccc(C)cc2)C(=O)C1=O)c1cccnc1
BDBM60363 COc1cc(C=Nn2nnnc2N)ccc1O |w:6.6|
BDBM60403 Oc1cnn(c1)-c1ccccc1
BDBM60404 CN(C)c1ccc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)cc1
BDBM60364 CCOC(=O)Cc1cc(=O)n([nH]1)-c1nc2ccccc2s1
BDBM60365 Clc1ccc(cc1)C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N |c:25|
BDBM60366 CCCn1cnc2cc(NCc3cccc(OC)c3O)ccc12
BDBM60367 COc1cc(ccc1O)-c1c(C#N)c(=O)[nH]c2n(nc(C)c12)-c1ccccc1
BDBM60368 Nc1nc(cs1)-c1ccco1
BDBM60369 CN1C=CC=C\C1=C(/C#N)c1nc2ccccc2[nH]1 |c:2,4|
BDBM60370 COc1ccccc1NC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
BDBM60371 CCN(C(=O)CN1CCN(CC1)c1ccc(O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM60372 Cc1cccc(c1)C(=O)Nc1ccc(O)cc1
BDBM60373 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N |t:7|
BDBM60374 CN(C)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2F)cc1
BDBM60375 OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
BDBM60376 CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC1CS(=O)(=O)CC1O
BDBM60377 CN(C)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
BDBM60378 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc(cc2)N(C)C)CC1
BDBM60379 CN(C)c1ccc(NC(=O)CSc2nc3CCCCc3c(=O)[nH]2)cc1
BDBM60380 Oc1ccc(cc1)-c1nc2ncccn2c1Nc1ccc2OCOc2c1
BDBM60342 CCOC(=O)CNc1c(nc2ccccn12)-c1ccc(O)cc1
BDBM60343 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccc(cc1)N(C)C
BDBM60382 Oc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2cccs2)C1=O
BDBM58986 CC(C)COC(=O)C1C(NC(=S)N=C1C)c1cccs1 |c:12|
BDBM59059 CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59060 CCCC[n+]1c2ccccc2cc2ccccc12
BDBM59061 CCC[n+]1c2ccccc2cc2ccccc12
BDBM58948 Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
BDBM58949 CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
BDBM58950 CN(C)c1ccc(cc1N)C(=O)c1ccc(N(C)C)c(N)c1
BDBM59023 COc1ccc(Nc2ccc(OC)cc2)cc1
BDBM59024 COc1cc(C=C(C#N)c2ccccn2)cc(OC)c1O |w:5.4|
BDBM59025 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
BDBM59026 COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3COC(Cc3c2c1=O)C(C)C
BDBM59027 S=c1[nH]nc(COc2ccccc2)n1N=CC=Cc1ccco1 |w:14.15,16.17|
BDBM59028 Cc1ccccc1-c1n[nH]c(=S)n1N=CC=Cc1ccco1 |w:13.14,15.16|
BDBM59062 CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59063 CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59064 Oc1ccc(cc1)N1CCN(CC1)c1ccc(nc1)[N+]([O-])=O
BDBM59065 COc1cc(OC)cc(c1)C(=O)NCC(=O)N1CCN(CC1)c1ccc(O)cc1
BDBM59066 CCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3NC(=O)CCc3c2)c(C)c1
BDBM59067 CN(C)c1ccc(NS(=O)(=O)c2cc3CC(=O)N4CCCc(c2)c34)cc1
BDBM59068 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1
BDBM58951 Cc1cc2c(N=O)c(NO)ccc2[nH]1
BDBM58952 COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(CC1)c1ccc(O)cc1
BDBM58991 Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12
BDBM58992 CN(C)c1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
BDBM59069 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CCCCC2C)cc1
BDBM59070 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CC(C)CC(C)C2)cc1
BDBM59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM59072 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1
BDBM59073 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccccc1)N2CC(=O)Nc1ccc(cc1)N(C)C
BDBM59074 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CCCCC2CC)cc1
BDBM59075 Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2c(O)c(O)ccc12
BDBM59076 Oc1c(Br)cc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1Br |w:7.7|
BDBM59077 COc1ccc(NC2CCCN(C2)C(=O)c2cccc(c2)C(F)(F)F)cc1OC
BDBM59078 OC(=O)\C=C\C(=O)c1ccc-2c(CCc3ccccc-23)c1
BDBM59079 [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)-[n+]1ccc2ccccc2c1
BDBM59080 CCN(CC)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
BDBM59081 CN1CCN(CC1)S(=O)(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(c1)[N+]([O-])=O
BDBM59082 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2nc(cs2)-c2ccccn2)C1=O
BDBM59083 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
BDBM59084 Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Cl)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14|
BDBM59085 CC(C)c1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1)C(O)=O |c:12|
BDBM59086 CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
BDBM58953 CCOC(=O)c1c(C)c(C(=O)Nc2ccc(cc2)N(C)C)c(C)n1CC
BDBM58954 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)C1CCCCC1)c1cccnc1
BDBM58955 CN(C)c1ccc(NC(=O)CN2c3ccccc3C(=NCC2=O)c2ccccc2)cc1 |c:19|
BDBM58993 CC(C)n1cnc2cc(NCc3ccc(C)cc3)ccc12
BDBM58994 Cc1ccc2nc(c(NC3CCCC3)n2c1)-c1ccccn1
BDBM58995 Cc1ccc(cc1)-c1c[nH]n(-c2ccccc2)c1=O
BDBM58996 Oc1ccc(cc1O)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
BDBM58997 COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCC=C
BDBM59029 Nc1cnc(Nc2ccc(Br)cc2)nc1N
BDBM59030 CCCn1cnc2cccc3cccc1c23
BDBM58956 Cc1ccc(C)c(c1)-c1nc2ccc(N)cc2[nH]1
BDBM58957 CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1
BDBM58998 NC(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(c1)[N+]([O-])=O
BDBM58999 O=C1CCCN1CCCNC(=S)Nc1ccc(Nc2ccccc2)cc1
BDBM59000 OCC1CCCN(C1)C(=S)Nc1ccc(Nc2ccccc2)cc1
BDBM59001 CCOc1c(Br)cc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc1OC
BDBM59002 CCOc1c(Br)cc(CNc2ccc(cc2)N2CCOCC2)cc1OC
BDBM59031 CCn1cnc2cccc3cccc1c23
BDBM59032 NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc[n-]2)c(c1)[N+]([O-])=O |w:8.7|
BDBM59033 Cc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
BDBM59034 Oc1ccc(C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1O |w:6.6|
BDBM59035 Oc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|
BDBM59036 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccco1 |w:3.3,16.18|
BDBM59037 Oc1ccc(cc1)N1CCN(CC1)C(=O)CCOc1ccccc1
BDBM59038 Cc1ccc(OCCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
BDBM59039 Oc1ccc(cc1)N1CCN(CC1)C(=O)CCSc1ccc(Cl)cc1
BDBM58958 Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1
BDBM58959 O=C(N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1)c1ccccc1
BDBM58960 COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccccc1 |w:18.21|
BDBM58961 Clc1cc(NCc2cccs2)ccc1N1CCOCC1
BDBM58962 CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
BDBM58963 C1CCN=C(CC1)NNc1nc(cs1)-c1ccccc1 |c:3|
BDBM58964 COc1ccc(cc1OC)-c1c(C)[nH]nc1-c1ccc(O)cc1O
BDBM58965 [O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
BDBM59003 ClCC(=O)Nc1ccc(cc1)N1CCCCCC1
BDBM59004 Oc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1 |w:12.13,t:6|
BDBM59040 [H][C@@]12C=CC(=O)[C@@]1(C)[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](C[C@H]2C)OC(=O)CC(=O)O[C@@H]1C[C@@H](C)[C@@]2([H])C=CC(=O)[C@@]2(C)[C@@]2([H])OC(=O)C(=C)[C@]12[H] |c:2,37|
BDBM59041 CC(C)C1Cc2c(CO1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12
BDBM59042 Oc1ccc2c(occ(-c3ccc(cc3)[N+]([O-])=O)c2=O)c1O
BDBM59043 O=C1NC(=O)C(=CC=Cc2ccco2)C(=O)N1c1ccccc1 |w:6.6,8.8|
BDBM59044 CCCCN1Cc2c(nc3cc([nH]n3c2=O)-c2ccco2)C1=O
BDBM59045 CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 |c:8,25,29,t:6|
BDBM59046 COc1cc(CNc2ccc(cc2)N2CCCCC2)ccc1OCC(=O)NC(C)(C)C
BDBM59047 COc1ccc(NC2CCCN(Cc3cccc4cnccc34)C2)cc1OC
BDBM59048 COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1
BDBM58966 Cc1ccc(o1)-c1nc2ncccn2c1NC1CCCCC1
BDBM58967 [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#7]/[#7]-c2ccc(-[#8])cc2)-[#6](=O)-[#8]1
BDBM58968 CCCc1cc(-c2n[nH]c(C(=O)OCC)c2-c2cscn2)c(O)cc1O
BDBM59005 CN(C)c1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCCOc2c1
BDBM59006 CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C |c:9|
BDBM59007 COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cccc2C)C1
BDBM59008 COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1
BDBM59009 COc1ccc(cc1)N1CCC(CNC(=S)Nc2ccc(C)cc2C)C1
BDBM59010 CN(C)c1ccc(cc1)C1=NN(Cc2ccccc2)C2C1C(=O)N(C)C2=O |t:10|
BDBM59011 [#8-]-[#7+](=O)-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1
BDBM58969 CCOC(=O)c1[nH]nc(c1-c1cscn1)-c1cc(CC)c(O)cc1O
BDBM58970 CNC(C)Cc1ccccc1Sc1ccc(O)cc1
BDBM58971 CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C
BDBM58972 COc1cc(\C=[NH+]\NC(=O)c2ccc(Cn3nc(c(Cl)c3C)[N+]([O-])=O)o2)ccc1[O-]
BDBM58973 CCN(CC)c1ccc(C=NN2CCOCC2)cc1
BDBM58974 Oc1ccc(cc1)N1CCN(CC1)C(=S)NCCc1ccccc1
BDBM59050 CC(=O)N1CCN(CC1)c1ccc(NCc2cccc3ccccc23)cc1
BDBM59051 COc1cc(CNc2ccc(cc2)N2CCOCC2)ccc1OCC(=O)NC(C)(C)C
BDBM58975 CC(C=Nn1c(n[nH]c1=S)-c1cccnc1)=Cc1ccccc1 |w:3.3,16.18|
BDBM58976 Cc1ccc(-c2ccc([CH+]c3c([n-]oc3=O)-c3ccccc3)o2)c(c1)[N+]([O-])=O
BDBM58977 CC(C)(C)c1cc(C(=O)NN=Cc2ccc(O)cc2)n(n1)-c1ccccc1 |w:10.9|
BDBM58978 CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)c1cccs1
BDBM58979 Cc1c(\N=N\c2ccc(N)cc2C)c(=O)n(-c2ccccc2)n1C
BDBM59012 COc1cc(ccc1O)-c1cc(=O)c2ccccc2o1
BDBM59013 CCN(CC)c1ccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)cc1
BDBM59014 CN(C1CCCCC1)C(=O)c1ccccc1C(=O)OCC(=O)NCc1cccs1
BDBM58981 SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccccc2)o1 |w:7.8,t:1|
BDBM58982 COC1=C(Nc2ccc(O)cc2)C(=O)c2ccccc2C1=O |c:2|
BDBM59017 Oc1ccc(cc1)N1CCN(Cc2cc(=O)n3c(csc3n2)-c2ccccc2)CC1
BDBM59018 Oc1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1O |w:7.7|
BDBM59019 Oc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM59020 CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(O)cc2)nc1 |w:12.11|
BDBM59021 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)c1ccc(O)cc1
BDBM59022 Oc1ccc(cc1)N1CCN(CC1)C(=O)COc1cccc(c1)C(F)(F)F
BDBM59049 Cc1nc(C)c(s1)-c1csc(Nc2ccc(N)cc2)n1
BDBM58980 CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM59015 C=CCn1c(=S)[nH]c2scc(-c3ccco3)c2c1=O
BDBM59016 CCc1cc(=S)n2c([nH]c3ccccc23)c1C#N
BDBM59052 COc1cc(C=C2SC(N)=NC2=O)ccc1O |w:5.4,c:9|
BDBM59053 Oc1ccc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc1O |w:6.6|
BDBM58983 SC1=NC(=O)C(S1)=Cc1ccc(o1)N1CCOCC1 |w:7.8,t:1|
BDBM59054 [O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
BDBM59055 Cc1c(C)c2c(NN)ncnc2n1Cc1ccccc1
BDBM59056 Oc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1O |w:5.4|
BDBM58984 Cc1cccc(c1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O
BDBM58985 Cc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
BDBM58987 Cc1ccc(cc1NC(=O)CN1CCN(CC1)c1ccc(O)cc1)S(=O)(=O)N1CCOCC1
BDBM58988 CN1\C(=C/C=NNC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc12
BDBM58989 Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)CC1
BDBM58990 CCOc1cc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc(Br)c1OC
BDBM59057 CCN(CC)CCCCN1c2ccccc2Sc2ccccc12
BDBM59058 CC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC=C
BDBM59744 CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
BDBM58859 COc1cc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O
BDBM58858 Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
BDBM58860 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
BDBM58440 CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
BDBM58946 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
BDBM76093 Oc1ccc(Cc2ccc(O)cc2)cc1
BDBM76094 Oc1ccc(Sc2ccc(O)cc2O)c(O)c1
BDBM76095 Oc1ccc(Oc2ccc(O)cc2)cc1
BDBM76092 CC(C)c1cc(ccc1O)C(C)(C)c1ccc(O)c(c1)C(C)C
BDBM86282 Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
BDBM50042982 Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
BDBM50109695 Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
BDBM50186231 CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
BDBM50208827 OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
BDBM50252093 Oc1ccc2sc(=O)oc2c1
BDBM50309563 COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
BDBM32020 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1