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96 SMILES Strings for Protein polybromo-1

Compound NameSMILES String
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50028142 C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
BDBM50098250 Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50104297 Cc1ccccc1C1NC(=O)c2ccccc2N1
BDBM50092310 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)|
BDBM50098305 Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098311 CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
BDBM220447 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
BDBM50184977 CN(C)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
BDBM50184978 Clc1cccc2n3CC\C(=C/N4CCCCC4)c3nc(=O)c12
BDBM50184979 CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
BDBM50184980 CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
BDBM50184981 CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
BDBM249277 Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
BDBM50184972 O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1
BDBM50184973 O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1
BDBM50158624 Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
BDBM50182280 Oc1ccccc1C(=O)\C=C\N1CCc2c(C1)ncnc2NC1CC1
BDBM50158688 [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r|
BDBM50198450 CCCCc1[nH]nc2oc(=O)c3ccccc3c12
BDBM179481 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
BDBM50198438 CCCc1[nH]nc2oc(=O)c3ccccc3c12
BDBM50198451 Cc1nnc2ccc3ccccc3n12
BDBM50198440 COc1ccc(cc1)C(C(CC#N)CC#N)c1ccccc1
BDBM50198447 Oc1ccccc1C(=O)\C=C\N1CC2CC1CN2c1ccccn1 |TLB:18:17:14:11.12,10:11:17.16:14|
BDBM50198448 CCc1[nH]nc2oc(=O)c3ccccc3c12
BDBM50198449 Cc1[nH]nc2oc(=O)c3ccccc3c12
BDBM310898 CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
BDBM342597 Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
BDBM50256397 Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
BDBM50266286 Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
BDBM394583 Nc1nnc(cc1-c1ccccc1)-c1ccccc1O
BDBM394399 CC(C)(C)OC(=O)N1CCN(CC1)c1cc(nnc1N)-c1ccccc1O
BDBM394406 Nc1nnc(cc1N1CCNCC1)-c1ccccc1O
BDBM394530 C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
BDBM50460600 c1sc(nc1-c1cccnc1)-c1cccnc1
BDBM50453949 CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
BDBM50455480 CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
BDBM50366670 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
BDBM50495427 CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
BDBM50495428 Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
BDBM50495429 CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
BDBM50495432 CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
BDBM50504160 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
BDBM50529212 Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12
BDBM50539801 CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
BDBM50549126 Nc1nnc(cc1N1CCC(O)CC1)-c1ccccc1O
BDBM50549127 Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r|
BDBM50549128 Nc1nnc(cc1N1CCC[C@H](C1)Oc1ccccc1)-c1ccccc1O |r|
BDBM50549129 Nc1nnc(cc1N1CC[C@@H](O)[C@@H](O)C1)-c1ccccc1O |r|
BDBM50549130 Nc1nnc(cc1N1CCC[C@@H](C1)Oc1ccccc1)-c1ccccc1O |r|
BDBM50549131 Nc1nnc(cc1N1CC[C@H](O)[C@@H](O)C1)-c1ccccc1O |r|
BDBM50560174 CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1
BDBM50584925 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
BDBM50591353 CC1CC(=O)NN=C1c1cccs1 |c:6|
BDBM50591354 NC(=S)c1ccc(F)cc1
BDBM50591355 COc1cccc(OCC(F)(F)F)c1C#N
BDBM50591356 N#Cc1ncccc1N1CCCCC1
BDBM50591358 Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
BDBM50591357 CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21
BDBM50591359 Clc1cccc2NC(NC(=O)c12)c1ccccc1
BDBM50591360 Fc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
BDBM50591361 Clc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
BDBM50591362 Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
BDBM50591363 Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591364 Cc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591365 COc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591366 FC(F)(F)c1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591375 Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)o1
BDBM50591376 Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)[nH]1
BDBM50591377 COc1cccc2NC(NC(=O)c12)c1ccccc1C
BDBM50591378 Cc1cccc(c1)C1NC(=O)c2c(F)cccc2N1
BDBM50591381 Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1
BDBM50591382 OC(=O)c1ccccc1Nc1cccc(Cl)c1C(O)=O
BDBM50591385 OC(=O)c1ccc(Cl)c2c1[nH]c1ccccc1c2=O
BDBM50591383 OC(=O)c1cccc2c1[nH]c1cccc(Cl)c1c2=O
BDBM50591384 OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O
BDBM50591379 Cc1cccc(c1)C1NC(=O)c2c(C)cccc2N1
BDBM50591380 Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1
BDBM50591346 Fc1cccc(Cl)c1C1NC(=O)c2ccccc2N1
BDBM50591347 OC(=O)c1cccc2c1[nH]c1ccccc1c2=O
BDBM50591348 CC1CC(=O)c2cc(Br)ccc2O1
BDBM50591349 Oc1ccc2CCC(=O)c2c1
BDBM50591350 Nc1cccc(c1)C(=O)c1ccccc1
BDBM50591351 CC(=O)c1c[nH]c2ccccc12
BDBM50591352 Brc1ccccc1-c1nnn[nH]1
BDBM50591367 Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
BDBM50591368 Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
BDBM50591369 Cc1cc(C)cc(c1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591370 Cc1ccc(C)c(c1)C1NC(=O)c2c(Cl)cccc2N1
BDBM50591371 Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C
BDBM50591372 Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1
BDBM50591373 NC(=O)c1ccccc1\N=C\c1c(F)cccc1Cl
BDBM50591374 NC(=O)c1c(Cl)cccc1\N=C\c1c(F)cccc1Cl
BDBM50598934 Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1
BDBM50598935 Nc1nnc(cc1-c1ccccc1)-c1ccccc1