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286 SMILES Strings for Bcl-2-related protein A1

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|
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|
BDBM29658 Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
BDBM31802 CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31803 Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31804 Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31805 Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31807 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
BDBM31809 CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
BDBM31810 CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
BDBM31811 Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31704 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
BDBM31713 O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
BDBM30741 Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1
BDBM31075 O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33072 CC1N(C)c2cccc3cccc(N1C)c23
BDBM33073 Cc1ccc(o1)-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1
BDBM33074 Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C |w:3.2|
BDBM33114 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(Cc2ccccc2)c1=O
BDBM33115 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
BDBM33147 COc1cccc2C(=O)C(C)=CC(=O)c12 |c:10|
BDBM33148 Cc1ccc(\C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1
BDBM33149 CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
BDBM33150 Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
BDBM33151 COc1ccc(cc1)N1C(=S)NC(=Cc2cccs2)C1=O |w:13.14|
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
BDBM33077 OCCCNC(=O)Nc1ccc2nc(-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
BDBM33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33081 CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33082 CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:5|
BDBM33083 CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|
BDBM33084 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
BDBM33116 Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
BDBM33117 Fc1ccc(C=C2CCCC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
BDBM33118 CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|
BDBM33119 CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33120 CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33121 CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
BDBM33122 CC(C)C(=O)NC(c1ccccc1)c1cc([N+]([O-])=O)c2cccnc2c1O
BDBM33123 Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 |w:15.14|
BDBM33124 [O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:17|
BDBM33125 COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)C(=O)c2cccs2)cc1 |c:9,11|
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|
BDBM33128 CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC
BDBM33129 [O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1
BDBM33130 Oc1ccc(cc1)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
BDBM33131 Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br |w:11.12|
BDBM33132 Cc1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1
BDBM33133 Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1
BDBM33134 C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1
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
BDBM33198 CC(=O)Nc1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
BDBM33199 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
BDBM33153 CC(C)CN1C(=S)N\C(=C/c2ccco2)C1=O
BDBM33154 Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
BDBM33155 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
BDBM33156 COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
BDBM33200 CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM33201 CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|
BDBM33138 CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC
BDBM33139 Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
BDBM33140 CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2)c1=O
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
BDBM33158 Brc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc4SCC(=O)Nc4c3)c2)cc1
BDBM33159 O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|
BDBM33160 Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|
BDBM33161 CC1CC2C(NC(=S)N=C2C(C1)=Cc1cccc(F)c1)c1cccc(F)c1 |w:12.14,c:8|
BDBM33162 Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
BDBM33163 [#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|
BDBM33037 Cc1ccc(o1)-c1cc(-c2ccc3OCOc3c2)c(C#N)c(N)n1
BDBM33038 COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
BDBM33039 Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
BDBM33145 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
BDBM33146 CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|
BDBM33040 COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
BDBM33041 Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
BDBM33042 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
BDBM33043 Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(F)cc1
BDBM33044 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
BDBM33085 Clc1nss\c1=N\c1ccc(cc1)C#N
BDBM33045 NC(=O)c1c(N)sc2CCCCCc12
BDBM33086 COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
BDBM33087 O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33088 COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1ccc(C)cc1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.11,.43,;11.58,-.04,;12.72,.99,;14.19,.51,;12.4,2.49,;10.94,2.97,)|
BDBM33046 Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
BDBM33047 C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23
BDBM33048 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
BDBM33089 Cc1cc(N)ccc1N1CCCC1
BDBM33090 CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
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
BDBM33165 COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
BDBM33166 COc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccc(F)cc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;11.04,2.07,;12.28,1.17,;11.81,-.3,;10.27,-.3,;13.75,1.64,;14.07,3.15,;15.53,3.63,;16.68,2.6,;18.14,3.07,;16.36,1.09,;14.89,.61,)|
BDBM33049 COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
BDBM33050 O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33096 OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33098 OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33099 CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(OC(C)=O)cc1 |t:7|
BDBM33100 COc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33168 Clc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1
BDBM33169 COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
BDBM33174 CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(Br)cc1 |t:7|
BDBM33052 COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:14.15|
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
BDBM33105 Cc1ccc(o1)-c1cc(C(=O)Nc2nccs2)c2ccccc2n1
BDBM33175 Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
BDBM33176 CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
BDBM33177 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1OC
BDBM33107 CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
BDBM33108 CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
BDBM33178 Clc1nss\c1=N/c1ccc(Br)cc1
BDBM33059 Cc1onc(c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)-c1ccccc1
BDBM33061 CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
BDBM33179 Nc1ccccc1\N=c1\ssnc1Cl
BDBM33180 Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
BDBM33181 CCOc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1
BDBM33062 Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |w:3.2|
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|
BDBM33067 CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2)c1=O
BDBM33068 CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2OC)c1=O
BDBM33069 CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O
BDBM33070 CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
BDBM33071 OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33182 COc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1
BDBM33183 [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
BDBM33184 Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
BDBM33185 OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
BDBM33186 [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O
BDBM33110 Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
BDBM33187 Clc1nss\c1=N\c1cccc(c1)C#N
BDBM33188 Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
BDBM33189 COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
BDBM33112 Cc1cccc(c1)N1C(NC(=O)C(C#N)C1=S)c1cccs1
BDBM33113 Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
BDBM33190 CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2OC)c1C
BDBM33192 CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
BDBM33193 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1Cc1ccccc1
BDBM33194 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
BDBM33195 CCc1cccc(CC)c1-n1c(n[nH]c1=S)-c1cccnc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;9.95,-1.57,;10.72,-2.9,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.83,1.96,;10.86,.82,;12.37,1.14,;12.85,2.6,;11.82,3.75,;10.31,3.43,)|
BDBM32276 CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
BDBM32278 N(c1ccccc1)c1cccc(Nc2ccccc2)n1
BDBM34194 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM32313 Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
BDBM33101 S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1
BDBM33102 CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
BDBM33106 c1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33109 Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33111 CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
BDBM33137 CCN1C(=S)S\C(=C\C=C2/C=CC=CN2CC)C1=O |c:10,12|
BDBM33144 Clc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
BDBM33167 [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)C=C
BDBM33170 [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)(=O)C=C
BDBM33171 Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
BDBM33172 c1coc(c1)-c1nc2cccc3cccc([nH]1)c23
BDBM33173 O=C1N(C(=S)NC1=Cc1ccco1)c1ccccc1 |w:7.8|
BDBM33191 CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
BDBM33197 COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
BDBM33051 COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
BDBM33054 N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM33058 CCOc1cc(ccc1F)S(=O)(=O)Nc1ccccn1
BDBM33060 Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
BDBM33063 Cc1ccc(C)n1-c1ccc(cc1)N1CCOCC1
BDBM33064 CNC(=O)c1c(N)sc2CCCCCc12
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
BDBM32280 CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
BDBM32287 Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
BDBM32289 O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
BDBM32292 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1
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
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
BDBM32303 Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
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
BDBM32319 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
BDBM32320 O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
BDBM32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
BDBM32262 CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
BDBM32266 COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
BDBM32331 O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
BDBM39141 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
BDBM39142 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)ccc(C)c1Cl |c:8|
BDBM39143 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:8|
BDBM39144 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
BDBM39146 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:13|
BDBM39147 C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM39149 ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39152 ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39154 ClC1=C(N2CCN(CC2)c2ccccc2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39156 OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:10|
BDBM39157 COc1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39159 COc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39160 CCCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
BDBM39162 COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39164 CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
BDBM39167 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1 |c:8|
BDBM39176 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
BDBM39119 ClC1=C(N2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39121 Oc1c(Cl)c(N=Cc2ccccc2)c(O)n1-c1ccc(Cl)c(Cl)c1 |w:5.4|
BDBM39124 CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:3|
BDBM53290 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
BDBM54714 COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O
BDBM54716 COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl
BDBM50316671 C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|
BDBM50316672 C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:1.0,wD:30.32,(19.56,-.32,;20.34,-1.65,;21.88,-1.63,;22.64,-.3,;24.18,-.29,;24.96,-1.61,;24.94,1.05,;24.16,2.37,;22.62,2.36,;24.91,3.71,;24.13,5.04,;26.46,3.73,;27.24,2.4,;28.76,2.41,;29.52,3.75,;29.54,1.1,;28.79,-.25,;29.56,-1.58,;27.25,-.26,;26.48,1.07,;31.08,1.1,;31.86,-.23,;31.1,-1.56,;33.4,-.21,;34.16,1.14,;35.7,1.15,;36.49,-.17,;35.73,-1.51,;38.03,-.15,;38.81,-1.47,;40.35,-1.45,;41.11,-.11,;41.14,-2.78,;40.38,-4.11,;41.17,-5.44,;42.71,-5.42,;43.46,-4.07,;42.68,-2.75,;36.45,2.5,;37.99,2.53,;35.65,3.83,;36.4,5.18,;34.12,3.8,;33.37,2.47,;31.83,2.44,;31.05,3.76,;19.58,-2.99,;18.04,-3,;17.27,-4.33,;18.05,-5.67,;19.59,-5.66,;20.36,-4.32,)|
BDBM50313335 NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
BDBM50313353 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1
BDBM50313354 CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C
BDBM50313357 Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(O)=O
BDBM50313363 OC(=O)CCNCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
BDBM50313364 CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50313365 CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |r|
BDBM50313366 CCc1ccc(Cc2cc(ccc2C)[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)cc1 |r|
BDBM50313369 COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50313374 CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50330254 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
BDBM50330069 Cc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|
BDBM50330070 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:18|
BDBM50330072 CN1CCN(CC1)C1=CC(=O)N(C1=O)c1ccc(Cl)cc1 |t:8|
BDBM50330255 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)|
BDBM50330256 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)|
BDBM50330257 CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O |c:27,t:1|
BDBM50330258 CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1 |c:23,t:15|
BDBM50330073 CN1CCN(CC1)c1cc(O)n(c1O)-c1ccc(Cl)c(Cl)c1
BDBM50330079 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccncc1Cl |c:8|
BDBM50330081 ClC1=C(N2CCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM50330247 CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |(3.81,-6.1,;2.48,-6.86,;1.15,-6.08,;2.46,-8.4,;3.8,-9.19,;5.14,-8.43,;3.78,-10.73,;5.1,-11.52,;2.43,-11.49,;1.11,-10.71,;-.21,-11.46,;-.21,-13,;-1.54,-10.69,;-2.88,-11.46,;-4.22,-10.68,;-4.22,-9.14,;-5.55,-11.46,;-6.89,-10.68,;-8.22,-11.46,;-9.55,-10.69,;-8.22,-13.01,;-9.55,-13.78,;-6.89,-13.78,;-6.89,-15.31,;-8.22,-16.08,;-5.56,-16.08,;-5.55,-13.01,;-4.21,-13.77,;-4.21,-15.31,;-2.87,-13,;-1.54,-13.77,;-1.55,-9.16,;-2.88,-8.39,;-.21,-8.39,;-.2,-6.85,;1.13,-9.16,)|
BDBM50330248 CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12 |w:3.2,24.24,(18.99,-45.93,;18.99,-44.39,;17.66,-43.62,;20.32,-43.62,;20.33,-42.08,;18.99,-41.31,;17.66,-42.08,;18.99,-39.76,;17.66,-39,;20.33,-38.98,;21.67,-39.76,;23,-38.98,;23,-37.44,;24.34,-39.76,;25.68,-38.99,;27.01,-39.77,;27.01,-41.31,;28.33,-39.01,;29.66,-39.79,;31.01,-39.04,;32.33,-39.82,;31.02,-37.49,;32.36,-36.73,;29.69,-36.7,;29.7,-35.16,;31.04,-34.4,;31.05,-32.86,;32.37,-35.18,;28.35,-37.46,;27.01,-36.69,;27.02,-35.15,;25.67,-37.46,;24.34,-36.69,;24.35,-41.31,;25.68,-42.08,;23,-42.08,;23,-43.62,;21.67,-41.31,)|
BDBM50330249 Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1 |w:27.27,6.5,(2.55,-7.81,;2.53,-9.35,;3.86,-10.13,;3.85,-11.67,;2.51,-12.42,;2.49,-13.96,;1.15,-14.72,;1.14,-16.26,;2.47,-17.05,;3.81,-16.3,;2.46,-18.6,;3.78,-19.38,;1.11,-19.35,;-.21,-18.57,;-1.54,-19.33,;-1.54,-20.87,;-2.87,-18.56,;-4.2,-19.32,;-5.55,-18.54,;-5.55,-17.01,;-6.88,-19.33,;-8.22,-18.55,;-9.56,-19.33,;-10.89,-18.56,;-9.56,-20.87,;-10.89,-21.64,;-8.22,-21.64,;-8.22,-23.18,;-9.56,-23.95,;-9.56,-25.49,;-10.9,-26.25,;-10.9,-27.79,;-9.57,-28.56,;-9.57,-30.1,;-8.23,-27.79,;-8.23,-26.25,;-6.88,-20.87,;-5.54,-21.64,;-5.54,-23.18,;-4.2,-20.87,;-2.87,-21.64,;-2.87,-17.02,;-4.21,-16.25,;-1.53,-16.25,;-1.53,-14.71,;-.2,-17.03,;1.18,-11.65,;1.19,-10.11,)|
BDBM50330250 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
BDBM50330251 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1 |c:28,t:20|
BDBM50330080 Oc1c(Cl)c(NCC=O)c(O)n1-c1ccc(Cl)c(Cl)c1
BDBM50376902 COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
BDBM50397583 CC(C)c1cc(cc2nc(ccc12)N1CCCC1)-c1cc2ccccc2nc1N1CCCC1
BDBM50397584 CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(nc2c1)N1CCOCC1
BDBM50397585 CCCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
BDBM50397586 CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCCC1)C(C)C
BDBM50397587 CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
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
BDBM142745 CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
BDBM142746 CC(CNC(=O)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(O)c(O)cc3c1=O)c2=O)c1ccccc1 |(7.36,6.79,;6.02,7.56,;4.69,6.79,;4.69,5.25,;3.36,4.48,;2.02,5.25,;3.36,2.94,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;2.02,2.17,;.69,2.94,;.69,4.48,;-.65,2.17,;-1.98,2.94,;-.65,.63,;-1.98,-.14,;-1.98,-1.68,;-.65,-2.45,;-3.31,-2.45,;-3.31,-3.99,;-4.65,-1.68,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-8.65,-8.61,;-9.98,-9.38,;-9.98,-10.92,;-8.65,-11.69,;-7.31,-10.92,;-7.31,-9.38,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-3.31,.68,;-3.31,2.22,;.69,-.2,;.69,-1.74,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;7.36,11.41,;7.36,9.87,)|
BDBM142748 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-14,;-8.65,-13.23,;-8.65,-11.69,;-9.98,-10.92,;-9.98,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-4.65,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;6.02,13.72,;7.36,14.49,;7.36,11.41,;7.36,9.87,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-7.31,-9.38,;-7.31,-10.92,)|
BDBM142749 Cc1c(-c2c(C)c(=O)c3c(C(=O)Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142750 CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O |(-7.31,-6.3,;-7.31,-4.76,;-8.65,-3.99,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
BDBM142753 Cc1c(-c2c(C)c(=O)c3c(CCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142754 Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-10.92,;-7.31,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;4.69,11.41,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-5.98,-7.07,;-5.98,-8.61,)|
BDBM142755 Cc1c(-c2c(C)c(=O)c3c(CCCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;7.36,9.87,;8.69,9.1,;8.69,7.56,;7.36,6.79,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-11.32,-7.07,;-11.32,-8.61,;-9.98,-9.38,;-8.65,-8.61,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142756 Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142757 Cc1c(-c2c(C)c(=O)c3c(Cc4ccc(Cl)cc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;8.69,7.56,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-11.32,-7.07,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
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,)|
BDBM50210069 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50210070 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|