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828 SMILES Strings for Beta-lactamase VIM-1

Compound NameSMILES String
BDBM26116 OC(=O)c1cccc(n1)C(O)=O
BDBM50092158 c1cnc2c(c1)ccc1cccnc21
BDBM262846 NCC1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(-8,-1.95,;-8,-.41,;-6.67,.36,;-6.67,1.9,;-5.33,2.67,;-4,1.9,;-4,.36,;-5.33,-.41,;-2.67,2.67,;-1.33,1.9,;-1.33,.36,;,-.41,;1.33,.36,;1.33,1.9,;,2.67,;2.67,-.41,;2.67,-1.95,;4,-2.72,;5.33,-1.95,;5.33,-.41,;4,.36,;4,1.9,;2.76,2.8,;3.23,4.26,;4.77,4.26,;5.25,2.8,;6.67,.36,;8,1.13,;8,-.41,;7.44,1.69,;6.67,-2.72,;8,-1.95,;6.67,-4.26,;8,-3.49,)|
BDBM262841 NC1CC(C1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:9.13,wD:6.6,(-7.61,.04,;-6.28,.81,;-5.88,2.29,;-4.39,1.9,;-4.79,.41,;-3.06,2.67,;-1.72,1.9,;-1.72,.36,;-.39,-.41,;.94,.36,;.94,1.9,;-.39,2.67,;2.28,-.41,;2.28,-1.95,;3.61,-2.72,;4.94,-1.95,;4.94,-.41,;3.61,.36,;3.61,1.9,;2.36,2.8,;2.84,4.26,;4.38,4.26,;4.86,2.8,;6.28,.36,;7.61,1.13,;7.61,-.41,;7.05,1.69,;6.28,-2.72,;7.61,-1.95,;6.28,-4.26,;7.61,-3.49,)|
BDBM262838 NC1CCC(C1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:10.14,wD:7.7,(-7.96,1.13,;-6.42,1.13,;-5.51,-.12,;-4.05,.36,;-4.05,1.9,;-5.51,2.37,;-2.71,2.67,;-1.38,1.9,;-1.38,.36,;-.05,-.41,;1.29,.36,;1.29,1.9,;-.05,2.67,;2.62,-.41,;2.62,-1.95,;3.96,-2.72,;5.29,-1.95,;5.29,-.41,;3.96,.36,;3.96,1.9,;2.71,2.8,;3.19,4.26,;4.73,4.26,;5.2,2.8,;6.62,.36,;7.96,1.13,;7.96,-.41,;7.39,1.69,;6.62,-2.72,;7.96,-1.95,;6.62,-4.26,;7.96,-3.49,)|
BDBM262607 NC1CCC(CC1)c1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |(9.24,-1.85,;7.7,-1.85,;6.93,-3.19,;5.39,-3.19,;4.62,-1.85,;5.39,-.52,;6.93,-.52,;3.08,-1.85,;2.31,-3.19,;.77,-3.19,;,-1.85,;-1.54,-1.85,;-2.31,-.52,;-3.85,-.52,;-4.62,-1.85,;-3.85,-3.19,;-2.31,-3.19,;-6.16,-1.85,;-6.93,-.52,;-8.47,-.52,;-9.24,-1.85,;-8.47,-3.19,;-6.93,-3.19,;.77,-.52,;,.82,;-1.54,.82,;-2.02,2.28,;-.77,3.19,;.48,2.28,;2.31,-.52,;3.08,.82,;4.22,.15,;3.85,2.15,;1.75,1.59,)|
BDBM262840 NCCC1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:13.17,wD:10.10,(-8.67,-2.72,;-7.34,-1.95,;-7.34,-.41,;-6,.36,;-6,1.9,;-4.67,2.67,;-3.33,1.9,;-3.33,.36,;-4.67,-.41,;-2,2.67,;-.67,1.9,;-.67,.36,;.67,-.41,;2,.36,;2,1.9,;.67,2.67,;3.33,-.41,;3.33,-1.95,;4.67,-2.72,;6,-1.95,;6,-.41,;4.67,.36,;4.67,1.9,;3.42,2.8,;3.9,4.26,;5.44,4.26,;5.91,2.8,;7.34,.36,;8.67,1.13,;8.67,-.41,;8.11,1.69,;7.34,-2.72,;8.67,-1.95,;7.34,-4.26,;8.67,-3.49,)|
BDBM262571 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262629 NS(=O)(=O)c1c(ccc(-c2ccc3nccn3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262928 NS(=O)(=O)c1c(ccc(N2CC3(C2)CCNCC3)c1-c1nnn[nH]1)C(F)(F)F
BDBM262811 NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262340 NS(=O)(=O)c1nccc(-c2ccc3C(=O)NCc3c2)c1-c1nnn[nH]1
BDBM50330325 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
BDBM262248 Cn1ccc(n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262249 NS(=O)(=O)c1cccc(-c2cnn3ccccc23)c1-c1nn[nH]n1
BDBM262250 NS(=O)(=O)c1cccc(C2Cc3cc(ccc3N2)C#N)c1-c1nn[nH]n1
BDBM262251 NS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1-c1nn[nH]n1
BDBM262252 NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1-c1nn[nH]n1
BDBM262253 Cc1nccn1-c1nc(cs1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262254 NS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1-c1nn[nH]n1
BDBM262350 CS(=O)(=O)Nc1cccc(c1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262351 NS(=O)(=O)c1nccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1
BDBM262352 NC(=O)c1cccc(c1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262353 NS(=O)(=O)c1nccc(-c2ccc3NC(=O)COc3c2)c1-c1nn[nH]n1
BDBM262354 CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262355 NS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
BDBM262457 NS(=O)(=O)c1cccc(-c2cnc3[nH]ncc3c2)c1-c1nn[nH]n1
BDBM262458 NS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1
BDBM262459 NS(=O)(=O)c1cccc(-c2cnc3ccoc3c2)c1-c1nn[nH]n1
BDBM262460 NS(=O)(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1-c1nn[nH]n1
BDBM262461 NS(=O)(=O)c1cccc(-c2ccc3[nH]ncc3c2)c1-c1nn[nH]n1
BDBM262462 Nc1ncc(cc1F)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262471 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CCOCC2)c1-c1nn[nH]n1
BDBM262472 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CCNCC2)c1-c1nn[nH]n1
BDBM262473 Cc1ccccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262474 NS(=O)(=O)c1cccc(-c2ccccc2O)c1-c1nn[nH]n1
BDBM262475 CN(C)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262476 NS(=O)(=O)c1cccc(-c2ccc(CNCCN3CCCC3)cc2)c1-c1nn[nH]n1
BDBM262477 CN1CCN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)CC1
BDBM262255 NS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1-c1nn[nH]n1
BDBM262256 NS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1-c1nn[nH]n1
BDBM262257 CC(C)n1nccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262258 NS(=O)(=O)c1cccc(-c2cnn3CCCCc23)c1-c1nn[nH]n1
BDBM262259 Cc1sccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262260 NS(=O)(=O)c1cccc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1-c1nn[nH]n1
BDBM262356 NS(=O)(=O)c1nccc(-c2ccc(nc2)N2CCOCC2)c1-c1nn[nH]n1
BDBM262357 NS(=O)(=O)c1nccc(-c2ccc3[nH]nc(c3c2)C(F)(F)F)c1-c1nn[nH]n1
BDBM262358 Cc1ccccc1-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262359 CN(C)c1ccc(cn1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262360 NS(=O)(=O)c1nccc(-c2cnc3[nH]ccc3c2)c1-c1nn[nH]n1
BDBM262361 NS(=O)(=O)c1nccc(-c2ccc3cccnc3c2)c1-c1nn[nH]n1
BDBM262478 NS(=O)(=O)c1cccc(-c2ccc(CNCC(=O)NO)cc2)c1-c1nnn[nH]1
BDBM262090 COc1ccc(Cn2nnnc2-c2c(Br)cccc2S(N)(=O)=O)cc1 |(1.62,-.28,;.6,-1.44,;-.91,-1.14,;-1.92,-2.3,;-3.43,-2,;-3.93,-.54,;-5.44,-.24,;-5.94,1.22,;-5.08,2.52,;-5.99,3.76,;-7.45,3.29,;-7.45,1.75,;-8.79,.98,;-10.12,1.75,;-10.12,3.29,;-11.46,.98,;-11.46,-.56,;-10.12,-1.33,;-8.79,-.56,;-7.45,-1.33,;-6.12,-.56,;-8.22,-2.67,;-6.68,-2.67,;-2.91,.62,;-1.4,.32,)|
BDBM262092 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(=O)NC2CCOC2)c1-c1nn[nH]n1
BDBM262152 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(O)C(F)(F)F)c1-c1nn[nH]n1
BDBM262153 CC(N1CCOCC1)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262154 Cc1nc2ccccc2n1Cc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
BDBM262261 CCOC(=O)CCn1cc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262262 Cc1nnc2ccc(cn12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262362 CC(=O)Nc1ccc(cc1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262363 Nc1ccc(cn1)-c1ccnc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262364 Nc1nnc(s1)C1CCN(CC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262365 NS(=O)(=O)c1nccc(N2CCC(CC2)c2ccncc2)c1-c1nnn[nH]1
BDBM262366 NS(=O)(=O)c1nccc(N2CCC(CC2)c2cccnc2)c1-c1nnn[nH]1
BDBM262367 CN(C)CCC1CCN(CC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262368 NS(=O)(=O)c1nccc(N2CCCC(C2)c2ccccn2)c1-c1nnn[nH]1
BDBM262506 CC(NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O)C(O)=O
BDBM262504 CN(C)CCCCNCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262505 C[C@@H](O)[C@H](NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O)C(O)=O |r|
BDBM262155 CC(C)(C)OC(=O)NCc1ccc(cn1)B1OC(C)(C)C(C)(C)O1
BDBM262156 CC(C)(C)OC(=O)NCCc1ccc(cn1)B1OC(C)(C)C(C)(C)O1
BDBM262157 COc1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262158 CCN(CC)C(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262159 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(=O)N2CCOCC2)c1-c1nn[nH]n1
BDBM262160 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(=O)NC2CC2)c1-c1nn[nH]n1
BDBM262161 NS(=O)(=O)c1cccc(-c2ccc(cc2)N2CCOCC2)c1-c1nn[nH]n1
BDBM262263 Cc1cc2nccn2cc1-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262264 CN1CCN(CC1)c1cc(ccn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262265 NS(=O)(=O)c1cccc(-c2ccc(nc2)-n2cccn2)c1-c1nnn[nH]1
BDBM262266 NS(=O)(=O)c1cccc(c1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262267 NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nnn[nH]1
BDBM262268 NS(=O)(=O)c1cccc(-c2cccc3C(=O)NCc23)c1-c1nnn[nH]1
BDBM262269 NS(=O)(=O)c1cccc(-c2cccc3CCCNc23)c1-c1nnn[nH]1
BDBM262369 NS(=O)(=O)c1nccc(N2CCC3(CC2)NCNC3=O)c1-c1nnn[nH]1
BDBM262370 NS(=O)(=O)c1nccc(N2CCC(CC2)N2CCCC2)c1-c1nnn[nH]1
BDBM262371 CC(C1CCN(CC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O)N1CCOCC1
BDBM262372 NS(=O)(=O)c1nccc(N2CCC(CN3CCOCC3)CC2)c1-c1nnn[nH]1
BDBM262373 NS(=O)(=O)c1nccc(N2CCC(CC2)c2cnc3CCCCn23)c1-c1nnn[nH]1
BDBM262374 NS(=O)(=O)c1nccc(N2CCC(CC2)N2CC[C@H](O)C2)c1-c1nnn[nH]1 |r|
BDBM262507 CNCC(C)NCc1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262508 Cc1nc(CNCc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)no1
BDBM262509 CN(CCC(O)=O)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262510 NC(=O)C1CN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262511 Cn1cncc1C[C@@H](NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O)C(O)=O |r|
BDBM262512 CN(CC(O)=O)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262162 CNC(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262164 NS(=O)(=O)c1cccc(-c2ccccc2)c1-c1nn[nH]n1
BDBM262165 NC(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262167 CS(=O)(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262168 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(=O)NCCO)c1-c1nn[nH]n1
BDBM262169 NS(=O)(=O)c1cccc(-c2ccc(cc2)N2CCCCC2)c1-c1nn[nH]n1
BDBM262170 NS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[nH]n1
BDBM262270 NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCCCC2)c1-c1nnn[nH]1
BDBM262271 NS(=O)(=O)c1cccc(-c2cnc(NC3CC3)nc2)c1-c1nnn[nH]1
BDBM262272 NS(=O)(=O)c1cccc(-c2cnc(NC3CCCC3)nc2)c1-c1nnn[nH]1
BDBM262273 NS(=O)(=O)c1cccc(-c2cnc(NCCO)nc2)c1-c1nnn[nH]1
BDBM262274 NS(=O)(=O)c1cccc(-c2cnn(CCN3CCOCC3)c2)c1-c1nnn[nH]1
BDBM262275 Cn1cc2cc(ccc2n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262375 NS(=O)(=O)c1nccc(N2CCC(CC2)N2CCNCC2)c1-c1nnn[nH]1
BDBM262376 NS(=O)(=O)c1nccc(N2CCC(CC2)n2ccnc2)c1-c1nnn[nH]1
BDBM262377 CN(Cc1ccccc1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262378 Cn1cncc1C1CCN(CC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262379 NS(=O)(=O)c1nccc(N2CCC(CC2)Oc2ncccn2)c1-c1nnn[nH]1
BDBM262380 CN(C1CCCCC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262381 NS(=O)(=O)c1nccc(N2CCC(Cn3ccnc3)CC2)c1-c1nnn[nH]1
BDBM262481 Cn1cnc(CNCc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)c1
BDBM262479 CN1CC(C1)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262480 CN1CCC(C1)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262482 CNCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262483 CN(CCO)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262484 CC(C)(O)C1CN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262171 NS(=O)(=O)c1cccc(-c2cccs2)c1-c1nn[nH]n1
BDBM262172 NS(=O)(=O)c1cccc(-c2cnc(s2)C2(O)CCC2)c1-c1nn[nH]n1
BDBM262173 NS(=O)(=O)c1cccc(-c2ccc(nc2)C2(OCCO2)C(F)(F)F)c1-c1nn[nH]n1
BDBM262174 C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262175 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(O)C(F)F)c1-c1nnn[nH]1
BDBM262176 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2(CCOCC2)C#N)c1-c1nnn[nH]1
BDBM262177 NS(=O)(=O)c1cccc(-c2ccc(CO)cc2)c1-c1nnn[nH]1
BDBM262276 CN1CCN(CC1)c1ncc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262277 NS(=O)(=O)c1cccc(-c2cc(F)cc(F)c2)c1-c1nnn[nH]1
BDBM262278 NS(=O)(=O)c1cccc(-c2ccc3nonc3c2)c1-c1nnn[nH]1
BDBM262279 Nc1[nH]nc2cc(ccc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262280 Nc1[nH]nc2ccc(cc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262281 Nc1cc(cc(N)n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262382 NS(=O)(=O)c1nccc(NC2CCCCC2)c1-c1nnn[nH]1
BDBM262383 NS(=O)(=O)c1nccc(NCc2ccccc2)c1-c1nnn[nH]1
BDBM262384 NS(=O)(=O)c1nccc(NCCC2CCCCC2)c1-c1nnn[nH]1
BDBM262385 NS(=O)(=O)c1nccc(NCCc2ccccc2)c1-c1nnn[nH]1
BDBM262386 NS(=O)(=O)c1nccc(N2CCC(Cc3ccncc3)CC2)c1-c1nnn[nH]1
BDBM262387 NS(=O)(=O)c1nccc(N2CCC(CC2)N2CCOCC2)c1-c1nnn[nH]1
BDBM262388 NS(=O)(=O)c1nccc(N2CCC(CC2)c2ncc[nH]2)c1-c1nnn[nH]1
BDBM262486 NS(=O)(=O)c1cccc(-c2ccc(CNCCc3nc[nH]n3)cc2)c1-c1nnn[nH]1
BDBM262487 NS(=O)(=O)c1cccc(-c2ccc(CNC3CC(F)(F)C3)cc2)c1-c1nnn[nH]1
BDBM262485 NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262488 NC(=O)CNCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262178 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCNC2=O)c1-c1nnn[nH]1
BDBM262179 COC(=O)N1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262180 C[C@@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262181 CN(C)CCCOc1ccc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262182 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262183 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(-c3ccc(cc3)C3CN(C3)C(=O)OC(C)(C)C)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
BDBM262282 Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262283 COc1cc(ccn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262284 NS(=O)(=O)c1cccc(-c2cncc(c2)C#N)c1-c1nnn[nH]1
BDBM262285 Nc1cncc(n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262286 COc1ccc2cc(cnc2n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262287 Cc1cccn2c(cnc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262288 NS(=O)(=O)c1cccc(C2=CCOCC2)c1-c1nnn[nH]1 |t:9|
BDBM262389 NS(=O)(=O)c1nccc(N2CCC(CC2)c2nnc3ccccn23)c1-c1nnc[nH]1
BDBM262390 NS(=O)(=O)c1nccc(N2CCC(O)CC2)c1-c1nnn[nH]1
BDBM262391 NS(=O)(=O)c1nccc(N2CCCC(Cc3cccnc3)C2)c1-c1nnn[nH]1
BDBM262392 CC(O)C1CCN(CC1)c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262393 NS(=O)(=O)c1nccc(N2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1
BDBM262394 NS(=O)(=O)c1nccc(c1-c1nn[nH]n1)-n1cnc2ccccc12
BDBM262395 NS(=O)(=O)c1cccc(-c2ccn3cncc3c2)c1-c1nn[nH]n1
BDBM262489 NS(=O)(=O)c1cccc(-c2ccc(CN3CCOCC3)cc2)c1-c1nnn[nH]1
BDBM262184 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CI)CC1 |r,wU:9.8,wD:12.12,(-3.85,-4,;-5.39,-4,;-6.16,-5.33,;-4.62,-5.33,;-6.16,-2.67,;-5.39,-1.33,;-6.16,-0,;-3.85,-1.33,;-3.08,,;-1.54,,;-.77,1.33,;.77,1.33,;1.54,,;3.08,,;3.85,-1.33,;.77,-1.33,;-.77,-1.33,)|
BDBM262185 Cc1csc(n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262186 NS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1
BDBM262187 NS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1
BDBM262188 COc1cccc(n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262189 Cn1ccnc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262190 NS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1
BDBM262289 NS(=O)(=O)c1cccc(C2=CCS(=O)(=O)CC2)c1-c1nnn[nH]1 |t:9|
BDBM262290 NS(=O)(=O)c1cccc(COc2ccccc2)c1-c1nnn[nH]1
BDBM262291 NS(=O)(=O)c1cccc(CCc2cccnc2)c1-c1nnn[nH]1
BDBM262292 NS(=O)(=O)c1cccc(CCc2ccccn2)c1-c1nnn[nH]1
BDBM262293 NS(=O)(=O)c1cccc(C#CCC2CNCCO2)c1-c1nn[nH]n1
BDBM262294 NS(=O)(=O)c1cccc(C#CCN2CCC(=O)CC2)c1-c1nn[nH]n1
BDBM262295 NS(=O)(=O)c1cccc(C#Cc2cccnc2)c1-c1nn[nH]n1
BDBM262396 Cc1cnc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262397 NCc1nc(no1)-c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262398 NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2noc(n2)C2CCNC2)c1-c1nn[nH]n1
BDBM262399 C[C@H](O)c1nc(no1)-c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O |r|
BDBM262400 Cc1cc(-c2nnn[nH]2)c(cc1C)S(N)(=O)=O
BDBM262401 COc1ccc(c(c1)-c1nn[nH]n1)S(N)(=O)=O
BDBM262402 NS(=O)(=O)c1ccc(O)cc1-c1nn[nH]n1
BDBM262491 NS(=O)(=O)c1cccc(-c2ccc(CN3CCC(C3)C(O)=O)cc2)c1-c1nnn[nH]1
BDBM262490 NS(=O)(=O)c1cccc(-c2ccc(CN3CNC(=O)C3)cc2)c1-c1nnn[nH]1
BDBM262492 CC(CC(O)=O)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262493 CC[C@H](CO)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262494 CC1(C)CCN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262495 CN(C)[C@@H]1CCN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1 |r|
BDBM262191 COc1cncc(n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262192 NS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1
BDBM262193 NS(=O)(=O)c1cccc(-c2cncnc2)c1-c1nn[nH]n1
BDBM262194 Cn1cncc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262195 NS(=O)(=O)c1cccc(-c2cncs2)c1-c1nn[nH]n1
BDBM262196 NS(=O)(=O)c1cccc(-c2cscn2)c1-c1nn[nH]n1
BDBM262197 NS(=O)(=O)c1cccc(-c2ccnc(F)c2)c1-c1nn[nH]n1
BDBM262296 NS(=O)(=O)c1cccc(C#CCN2CCS(=O)(=O)CC2)c1-c1nn[nH]n1
BDBM262297 NS(=O)(=O)c1cccc(C2CCC2)c1-c1nnn[nH]1
BDBM262298 Cc1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262299 NS(=O)(=O)c1cccc(C2CCCCC2)c1-c1nnn[nH]1
BDBM262300 NS(=O)(=O)c1cccc(Cc2cccc(c2)C#N)c1-c1nnn[nH]1
BDBM262301 NS(=O)(=O)c1cccc(CC2CCCCC2)c1-c1nnn[nH]1
BDBM262302 NS(=O)(=O)c1cccc(CCc2ccccc2)c1-c1nnn[nH]1
BDBM262403 COC(=O)c1ccc(-c2nn[nH]n2)c(c1)S(N)(=O)=O
BDBM262404 NS(=O)(=O)c1cccc(c1-c1nnn[nH]1)C(F)(F)F
BDBM262405 COc1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262406 NS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nnn[nH]1
BDBM262407 NS(=O)(=O)c1c(Br)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nnn[nH]1
BDBM262408 CCCc1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM262409 NS(=O)(=O)c1c(Cc2ccccc2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nnn[nH]1
BDBM262496 CN(C)CCCNCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262198 NS(=O)(=O)c1cccc(-c2ccnnc2)c1-c1nn[nH]n1
BDBM262199 NS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1-c1nn[nH]n1
BDBM262200 Cn1nccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262201 NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2ccn[nH]2)c1-c1nn[nH]n1
BDBM262202 COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262203 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(=O)N2CCC(O)CC2)c1-c1nn[nH]n1
BDBM262204 NS(=O)(=O)c1cccc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1
BDBM262303 Cc1ccccc1Cc1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262304 CC(C)c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262305 NS(=O)(=O)c1cccc(C2CC2)c1-c1nnn[nH]1
BDBM262306 Cc1cccc(Cc2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)c1
BDBM262307 CC(C)(C)Cc1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262308 NS(=O)(=O)c1cccc(C2CCCC2)c1-c1nnn[nH]1
BDBM262309 CC(C)(C)c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262410 Cc1ccc(-c2ccc(cc2)C2CCNCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM262411 Cc1ccc(cc1)-c1ccc(Cl)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262412 Nc1ccc(cn1)-c1ccc(Br)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262413 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262414 NS(=O)(=O)c1c(Br)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
BDBM262415 Cc1ccc(cc1)-c1ccc(Br)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262416 Cc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262498 NS(=O)(=O)c1cccc(-c2ccc(CNCCn3ccnn3)cc2)c1-c1nnn[nH]1
BDBM262499 CC(O)C1CCN(Cc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262497 CN1CCC(NCc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1=O
BDBM262205 CS(=O)(=O)CCn1cc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262206 CN(c1ncc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O)S(C)(=O)=O
BDBM262207 NS(=O)(=O)c1cccc(-c2ccc3OCCOc3c2)c1-c1nn[nH]n1
BDBM262208 CNS(=O)(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262209 CS(=O)(=O)c1ccc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262210 CN(C)S(=O)(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262211 NS(=O)(=O)c1cccc(-c2ccc(cc2)S(=O)(=O)NC2CC2)c1-c1nn[nH]n1
BDBM262212 NS(=O)(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262310 NS(=O)(=O)c1cccc(Cc2ccccc2)c1-c1nnn[nH]1
BDBM262311 Cc1ccc(Cc2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)cc1
BDBM262312 NS(=O)(=O)c1cccc(CCC2CCCCC2)c1-c1nnn[nH]1
BDBM262313 NS(=O)(=O)c1cccc(-c2cnc3ccccc3c2)c1-c1nnn[nH]1
BDBM262314 NS(=O)(=O)c1cccc(Cc2ccccc2C#N)c1-c1nnn[nH]1
BDBM262315 CC(C)Cc1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262316 NC1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O |(-4.86,-2.88,;-3.37,-2.48,;-2.98,-1,;-1.49,-.6,;-.4,-1.69,;-.8,-3.17,;-2.28,-3.57,;1.09,-1.29,;2.18,-2.38,;3.67,-1.98,;4.06,-.49,;2.98,.6,;1.49,.2,;.4,1.29,;.4,2.83,;-1.07,3.3,;-1.97,2.06,;-1.07,.81,;3.37,2.09,;3.77,3.57,;2.28,3.17,;4.86,2.48,)|
BDBM262417 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262418 CS(=O)(=O)Nc1ccc(cc1)-c1ccc(Br)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262419 NCc1ccc(cc1)-c1ccc(Br)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262420 NS(=O)(=O)c1c(Br)ccc(-c2ccc3CNCc3c2)c1-c1nn[nH]n1
BDBM262421 NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262422 CS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262423 NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C1CC1
BDBM262213 NS(=O)(=O)c1cccc(C2=CCSCC2)c1-c1nn[nH]n1 |t:9|
BDBM262214 NS(=O)(=O)c1cccc(C2=CCCOC2)c1-c1nn[nH]n1 |t:9|
BDBM262215 NS(=O)(=O)c1cccc(C2=CCC(CC2)C#N)c1-c1nn[nH]n1 |t:9|
BDBM262216 CN1CCC=C(C1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O |c:4|
BDBM262217 NS(=O)(=O)c1cccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
BDBM262218 Cn1nnc2ccc(cc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262219 Cn1ncc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262317 CS(=O)(=O)NC1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O |(-6.15,-3.35,;-5.06,-2.26,;-5.46,-.77,;-5.06,-3.8,;-3.57,-2.66,;-2.09,-2.26,;-1.69,-.77,;-.2,-.37,;.89,-1.46,;.49,-2.95,;-1,-3.35,;2.38,-1.06,;3.47,-2.15,;4.95,-1.75,;5.35,-.27,;4.26,.82,;2.78,.42,;1.69,1.51,;1.69,3.05,;.22,3.53,;-.68,2.28,;.22,1.04,;4.66,2.31,;5.06,3.8,;3.57,3.4,;6.15,2.71,)|
BDBM262318 NS(=O)(=O)c1cccc(C2CCC(CC2)N2CCNCC2)c1-c1nn[nH]n1 |(5.26,4.17,;4.86,2.68,;3.77,3.77,;6.35,3.08,;4.46,1.2,;5.55,.11,;5.15,-1.38,;3.67,-1.78,;2.58,-.69,;1.09,-1.09,;;-1.49,-.4,;-1.89,-1.89,;-.8,-2.98,;.69,-2.58,;-3.37,-2.28,;-4.46,-1.2,;-5.95,-1.59,;-6.35,-3.08,;-5.26,-4.17,;-3.77,-3.77,;2.98,.8,;1.89,1.89,;1.89,3.43,;.42,3.9,;-.48,2.66,;.42,1.41,)|
BDBM262319 NS(=O)(=O)c1cccc(C2CCC(O)CC2)c1-c1nn[nH]n1 |(3.77,3.57,;3.37,2.09,;2.28,3.17,;4.86,2.48,;2.98,.6,;4.06,-.49,;3.67,-1.98,;2.18,-2.38,;1.09,-1.29,;-.4,-1.69,;-1.49,-.6,;-2.98,-1,;-3.37,-2.48,;-4.86,-2.88,;-2.28,-3.57,;-.8,-3.17,;1.49,.2,;.4,1.29,;.4,2.83,;-1.07,3.3,;-1.97,2.06,;-1.07,.81,)|
BDBM262320 CS(=O)(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262321 CCOC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262322 CCNC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262424 NS(=O)(=O)c1c(Cl)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262425 NS(=O)(=O)c1nncc(-c2ccc(Br)cc2)c1-c1nn[nH]n1
BDBM262426 CS(=O)(=O)c1nc2cc(Cl)c(cc2[nH]1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262427 COc1nc2cc(Cl)c(cc2[nH]1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262428 NCc1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262429 NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262430 NC1CNCCC1(O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262501 CC(NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O)c1nn[nH]n1
BDBM262502 Cc1cc(CNCc2ccc(cc2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)n[nH]1
BDBM262500 CCN1CCC(CC1)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262503 CN(C)C1CCC(CC1)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |(7.44,-4.98,;6.1,-5.75,;6.1,-7.29,;4.77,-4.98,;4.77,-3.44,;3.44,-2.67,;2.1,-3.44,;2.1,-4.98,;3.44,-5.75,;.77,-2.67,;.77,-1.13,;-.56,-.36,;-1.9,-1.13,;-3.23,-.36,;-3.23,1.18,;-1.9,1.95,;-.56,1.18,;-4.56,1.95,;-5.9,1.18,;-7.23,1.95,;-7.23,3.49,;-5.9,4.26,;-4.56,3.49,;-3.23,4.26,;-1.77,3.79,;-.86,5.03,;-1.77,6.28,;-3.23,5.8,;-5.9,5.8,;-6.3,7.29,;-4.81,6.89,;-7.44,5.8,)|
BDBM262220 NS(=O)(=O)c1cccc(-c2ccc3c(c2)[nH]cnc3=O)c1-c1nn[nH]n1
BDBM262221 NS(=O)(=O)c1cccc(-c2cccc(c2)-n2nccn2)c1-c1nn[nH]n1
BDBM262222 NS(=O)(=O)c1cccc(-c2ccc3ccncc3c2)c1-c1nn[nH]n1
BDBM262223 NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1
BDBM262224 CC1C(=O)Nc2ccc(cc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262225 NS(=O)(=O)c1cccc(-c2ccc3[nH]nnc3c2)c1-c1nn[nH]n1
BDBM262323 NS(=O)(=O)c1cccc(C2CCCNC2)c1-c1nn[nH]n1
BDBM262324 NS(=O)(=O)c1cccc(C2CCN(CC2)C(=O)C2(CC2)c2ccccc2)c1-c1nn[nH]n1
BDBM262325 NS(=O)(=O)c1cccc(C2CCCN(C2)C(=O)C2CC2)c1-c1nn[nH]n1
BDBM262326 NS(=O)(=O)c1cccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
BDBM262327 Cc1ccc(Oc2cccc(c2-c2nn[nH]n2)S(N)(=O)=O)cc1
BDBM262328 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCNC2)c1-c1nnn[nH]1
BDBM262329 NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nnn[nH]1
BDBM262431 NC1(CCNCC1)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262432 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2(O)CCNC2)c1-c1nn[nH]n1
BDBM262433 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2=CCNC2)c1-c1nn[nH]n1 |t:16|
BDBM262434 NCc1ccc2cc(ccc2n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262435 NS(=O)(=O)c1cccc(-c2ccc3nc(ccc3c2)C(O)=O)c1-c1nn[nH]n1
BDBM262436 NC(=O)c1ccc2cc(ccc2n1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262226 CC1(SC(=O)NC1=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262227 NS(=O)(=O)c1cccc(-c2ccc(CC3OC(=O)NC3=O)cc2)c1-c1nn[nH]n1
BDBM262228 CN(C1CCOCC1)C(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262229 COc1ccc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262230 Cc1nc(F)ccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262231 NS(=O)(=O)c1cccc(-c2ccc(O)nc2)c1-c1nn[nH]n1
BDBM262232 NC(=O)c1cccc(c1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262330 COC(=O)c1ccc(cc1)-c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262331 NS(=O)(=O)c1nccc(-c2ccc(cc2)C(O)=O)c1-c1nnn[nH]1
BDBM262332 NC(=O)c1ccc(cc1)-c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262333 NS(=O)(=O)c1nccc(-c2ccc(cc2)C(=O)NC2CC2)c1-c1nnn[nH]1
BDBM262334 NS(=O)(=O)c1nccc(-c2ccc(cc2)C(=O)NC2CCOCC2)c1-c1nnn[nH]1
BDBM262335 NS(=O)(=O)c1nccc(-c2ccc(cc2)C2CCOCC2)c1-c1nnn[nH]1
BDBM262336 NS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nnn[nH]1
BDBM262437 NS(=O)(=O)c1cc(Cl)cc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1
BDBM262438 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1ccc2C(=O)NCc2c1
BDBM262439 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1cnn(C)c1
BDBM262440 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1ccc(O)nc1
BDBM262441 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1cccnc1
BDBM262442 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1ccc2CNCc2c1
BDBM262233 CS(=O)(=O)Nc1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262234 NS(=O)(=O)c1cccc(-c2cncc(F)c2)c1-c1nn[nH]n1
BDBM262235 NS(=O)(=O)c1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1-c1nn[nH]n1
BDBM262236 NS(=O)(=O)c1cccc(-c2ccc3OCCCc3c2)c1-c1nn[nH]n1
BDBM262237 CS(=O)(=O)Nc1cccc(c1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262238 CN(C)CCNC(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262239 CONC(=O)c1ccc(cc1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262337 NS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nnn[nH]1
BDBM262338 Cc1ccc(cc1)-c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262339 C[C@H]1NC(=O)OC1c1ccc(cc1)-c1ccnc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262341 NS(=O)(=O)c1nccc(-c2cccnc2)c1-c1nnn[nH]1
BDBM262342 NS(=O)(=O)c1nccc(-c2ccncc2)c1-c1nnn[nH]1
BDBM262343 NS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nnn[nH]1
BDBM262443 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1cccc(c1)C(N)=O
BDBM262444 Cc1ccc(cc1)-c1cc(cc(c1-c1nn[nH]n1)S(N)(=O)=O)-c1ccc(cc1)C(N)=O
BDBM262445 NS(=O)(=O)c1cccc(C(O)=O)c1-c1nn[nH]n1
BDBM262446 Nc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262447 Cc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262448 NCCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262449 Nc1ncc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262463 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2(O)CNC2)c1-c1nn[nH]n1
BDBM262240 NS(=O)(=O)c1cccc(-c2ccc(OCCN3CCCCC3)cc2)c1-c1nn[nH]n1
BDBM262241 NS(=O)(=O)c1cccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1
BDBM262242 COc1ncc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262243 NS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1-c1nn[nH]n1
BDBM262244 NS(=O)(=O)c1cccc(-c2ccccn2)c1-c1nn[nH]n1
BDBM262245 NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCOCC2)c1-c1nn[nH]n1
BDBM262246 NS(=O)(=O)c1cccc(-c2ccnn2Cc2ccccc2)c1-c1nn[nH]n1
BDBM262247 NS(=O)(=O)c1cccc(-c2csc3ccccc23)c1-c1nn[nH]n1
BDBM262345 NS(=O)(=O)c1nccc(-c2ccc(cc2)C2CCNCC2)c1-c1nnn[nH]1
BDBM262346 NS(=O)(=O)c1nccc(-c2ccc(cc2)C2CCNC2)c1-c1nnn[nH]1
BDBM262347 NS(=O)(=O)c1nccc(-c2ccc3[nH]ncc3c2)c1-c1nn[nH]n1
BDBM262348 NS(=O)(=O)c1nccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
BDBM262349 NS(=O)(=O)c1nccc(-c2ccc3NC(=O)Cc3c2)c1-c1nn[nH]n1
BDBM262450 CCCc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262451 NC(=O)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262452 Cc1nc2ccccc2n1Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262453 NCCCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262454 NCc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262455 NCCc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262456 NS(=O)(=O)c1cccc(-c2ccc(cc2)C#N)c1-c1nnn[nH]1
BDBM262464 NS(=O)(=O)c1cccc(-c2ccc(OC3CCNCC3)cc2)c1-c1nnn[nH]1
BDBM262465 Cc1ccncc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262466 NS(=O)(=O)c1cccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1
BDBM262467 NS(=O)(=O)c1cccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
BDBM262468 NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCNCC2)c1-c1nn[nH]n1
BDBM262469 NS(=O)(=O)c1cccc(-c2ccc(cc2)C(O)CO)c1-c1nn[nH]n1
BDBM262470 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CCCCC2)c1-c1nn[nH]n1
BDBM262590 NC1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262591 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCNC2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262592 C[N+]1(C)CCC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262593 NS(=O)(=O)c1c(ccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262594 NC(=N)N1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262595 NC(=N)NC1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262679 Nc1nc2c(cccc2s1)-c1ccc(C(F)CO)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262680 Nc1nc2c(cccc2s1)-c1ccc(CCCO)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262681 Nc1nc2c(cccc2s1)-c1ccc(CCCCCO)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262682 Nc1nc2c(cccc2s1)-c1ccc(CC2CCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262683 Nc1ncc(s1)-c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM262684 CC(C)(C)Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM262766 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCN(C[C@H]3CNCCO3)CC2)c1-c1nnn[nH]1 |r|
BDBM262767 Cn1cncc1CN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262768 Cn1ccnc1CN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262769 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CCC(CO)C2)c1-c1nnn[nH]1
BDBM262770 CC(=O)NC1CCN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262771 CC(C)(O)C1CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262848 NC1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:11.15,wD:8.8,(-8,-.41,;-6.67,.36,;-6.67,1.9,;-5.33,2.67,;-4,1.9,;-4,.36,;-5.33,-.41,;-2.67,2.67,;-1.33,1.9,;-1.33,.36,;,-.41,;1.33,.36,;1.33,1.9,;,2.67,;2.67,-.41,;2.67,-1.95,;4,-2.72,;5.33,-1.95,;5.33,-.41,;4,.36,;4,1.9,;2.76,2.8,;3.23,4.26,;4.77,4.26,;5.25,2.8,;6.67,.36,;8,1.13,;8,-.41,;6.67,1.9,;6.67,-2.72,;8,-1.95,;6.67,-4.26,;8,-3.49,)|
BDBM262939 NCCC1CCC(CC1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-10.67,5.78,;-9.34,5.01,;-8,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,;-4,3.46,;-4,5,;-5.33,5.77,;-2.67,2.69,;-1.33,3.46,;,2.69,;,1.15,;-1.33,.38,;-2.67,1.15,;1.33,.38,;2.67,1.15,;4,.38,;4,-1.16,;2.67,-1.93,;1.33,-1.16,;5.33,-1.93,;5.33,-3.47,;6.67,-4.24,;8,-3.47,;8,-1.93,;6.67,-1.16,;6.67,.38,;5.42,1.29,;5.9,2.75,;7.44,2.75,;7.91,1.29,;9.34,-1.16,;10.67,-.39,;10.67,-1.93,;9.34,.38,;9.34,-4.24,;10.67,-3.47,;9.34,-5.78,;10.67,-5.01,)|
BDBM262940 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CCC3CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262941 NC1CCC(CC1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-9.34,5.78,;-8,5,;-8,3.46,;-6.67,2.69,;-5.33,3.46,;-5.33,5,;-6.67,5.77,;-4,2.69,;-2.67,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;,.38,;1.33,1.15,;2.67,.38,;2.67,-1.16,;1.33,-1.93,;,-1.16,;4,-1.93,;4,-3.47,;5.33,-4.24,;6.67,-3.47,;6.67,-1.93,;5.33,-1.16,;5.33,.38,;4.09,1.29,;4.56,2.75,;6.1,2.75,;6.58,1.29,;8,-1.16,;9.34,-.39,;9.34,-1.93,;8,.38,;8,-4.24,;9.34,-3.47,;8,-5.78,;9.34,-5.01,)|
BDBM262942 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC3CCNC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262943 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CNC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262596 NC(=O)Cc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262597 NC(=O)CCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262598 NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2ccc(CO)cc2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262599 N[C@H]1CCC(Cc2ccc(-c3ccnc4ccccc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wD:1.0,(6.16,-5.19,;5.39,-3.85,;6.16,-2.52,;5.39,-1.18,;3.85,-1.18,;3.08,.15,;1.54,.15,;.77,-1.18,;-.77,-1.18,;-1.54,.15,;-3.08,.15,;-3.85,1.48,;-5.39,1.48,;-6.16,.15,;-5.39,-1.18,;-6.16,-2.52,;-5.39,-3.85,;-3.85,-3.85,;-3.08,-2.52,;-3.85,-1.18,;-.77,1.48,;-1.54,2.82,;-3.08,2.82,;-3.56,4.28,;-2.31,5.19,;-1.06,4.28,;.77,1.48,;1.54,2.82,;3.03,2.42,;.45,3.91,;1.94,4.3,;3.08,-2.52,;3.85,-3.85,)|
BDBM262600 NS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
BDBM262601 NS(=O)(=O)c1c(CCC#N)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
BDBM262685 Nc1nc2c(cccc2s1)-c1ccc(CCC(O)=O)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262686 NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM262687 Nc1nc2c(cccc2s1)-c1ccc(CCC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262688 NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)|
BDBM262689 NS(=O)(=O)c1c(CCCCCO)ccc(CCCCCO)c1-c1nn[nH]n1
BDBM262690 NS(=O)(=O)c1c(CCCCCCO)ccc(CCCCCCO)c1-c1nn[nH]n1
BDBM262772 CN(C)C1(C)CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262773 CC(C)(O)C1CCC(N1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262774 CN(C)C1CCN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262775 NS(=O)(=O)c1cccc(-c2ccc(NC3CCNC3)nc2)c1-c1nnn[nH]1
BDBM262776 CN(CCN1CCCC1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262777 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CC(CN3CCCC3)C2)c1-c1nnn[nH]1
BDBM262853 NS(=O)(=O)c1c(ccc(-c2cnc(nc2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262854 NCCc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262855 NS(=O)(=O)c1c(ccc(-c2cnc3[nH]ccc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262856 NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262944 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CC3(C2)CCNCC3)c1-c1nnn[nH]1)C(F)(F)F
BDBM262945 NC1CCCC(C1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262946 CNC1CC(C1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.95,6.32,;-8.95,4.78,;-7.61,4.01,;-6.12,4.41,;-5.73,2.92,;-7.21,2.52,;-4.39,2.15,;-3.06,2.92,;-1.72,2.15,;-1.72,.61,;-3.06,-.16,;-4.39,.61,;-.39,-.16,;.94,.61,;2.28,-.16,;2.28,-1.7,;.94,-2.47,;-.39,-1.7,;3.61,-2.47,;3.61,-4.01,;4.94,-4.78,;6.28,-4.01,;6.28,-2.47,;4.94,-1.7,;4.94,-.16,;3.7,.75,;4.17,2.21,;5.71,2.21,;6.19,.75,;7.61,-1.7,;8.95,-.93,;8.95,-2.47,;7.61,-.16,;7.61,-4.78,;8.95,-4.01,;7.61,-6.32,;8.95,-5.55,)|
BDBM262947 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(CC3CNC3)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262948 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(C2)C2CCNC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262602 NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C1CCCCC1
BDBM262603 N[C@H]1CCC(Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wD:1.0,(8.47,-5.19,;7.7,-3.85,;8.47,-2.52,;7.7,-1.18,;6.16,-1.18,;5.39,.15,;3.85,.15,;3.08,-1.18,;1.54,-1.18,;.77,.15,;-.77,.15,;-1.54,1.48,;-3.08,1.48,;-3.85,.15,;-3.08,-1.18,;-1.54,-1.18,;-5.39,.15,;-6.16,1.48,;-7.7,1.48,;-8.47,.15,;-7.7,-1.18,;-6.16,-1.18,;1.54,1.48,;.77,2.82,;-.77,2.82,;-1.25,4.28,;,5.19,;1.25,4.28,;3.08,1.48,;3.85,2.82,;5.34,2.42,;4.62,4.15,;2.52,3.59,;5.39,-2.52,;6.16,-3.85,)|
BDBM262604 NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262605 NC[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:5.5,wD:2.1,(9.24,-5.19,;7.7,-5.19,;6.93,-3.85,;7.7,-2.52,;6.93,-1.18,;5.39,-1.18,;4.62,.15,;3.08,.15,;2.31,-1.18,;.77,-1.18,;,.15,;-1.54,.15,;-2.31,1.48,;-3.85,1.48,;-4.62,.15,;-3.85,-1.18,;-2.31,-1.18,;-6.16,.15,;-6.93,1.48,;-8.47,1.48,;-9.24,.15,;-8.47,-1.18,;-6.93,-1.18,;.77,1.48,;,2.82,;-1.54,2.82,;-2.02,4.28,;-.77,5.19,;.48,4.28,;2.31,1.48,;3.08,2.82,;4.57,2.42,;3.85,4.15,;1.75,3.59,;4.62,-2.52,;5.39,-3.85,)|
BDBM262606 NS(=O)(=O)c1c(CC(F)(F)F)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262691 Nc1nc2c(cccc2s1)-c1ccc(cc1-c1nn[nH]n1)C(C1CCNCC1)S(N)(=O)=O
BDBM262692 Nc1nc2c(cccc2s1)-c1ccc(CC2CNC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262693 NS(=O)(=O)c1c(CC2CNC2)ccc(-c2cnc3ccccn23)c1-c1nn[nH]n1
BDBM262694 N[C@@]1(CCNC1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F |r|
BDBM262695 N[C@]1(CCNC1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F |r|
BDBM262696 Nc1nc2ccc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262697 Nc1nc2cc(ccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262778 CS(=O)(=O)C1CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262779 CN1CCC2(CCN(C2)c2ccc(cn2)-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)C1
BDBM262780 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CCC(O)C2)c1-c1nnn[nH]1
BDBM262781 NCCNc1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262782 CC1(O)CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262783 NS(=O)(=O)c1cccc(-c2ccc(nc2)N2CC[C@@H]2CO)c1-c1nnn[nH]1 |r|
BDBM262857 NS(=O)(=O)c1c(ccc(-c2cnn3ccccc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262858 NS(=O)(=O)c1c(ccc(-c2cnc3ccoc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262859 NS(=O)(=O)c1c(ccc(-c2cnc3ncccn23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262860 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CNCCO2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262861 Nc1cc(cc(N)n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262862 NS(=O)(=O)c1c(ccc(-c2ccc3CNCc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262949 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(C2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262950 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(CCC3CCNCC3)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262951 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(CC3CCNCC3)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262952 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(C2)C2CC3(C2)CCNCC3)c1-c1nnn[nH]1)C(F)(F)F
BDBM262953 NC1(CN2CC(C2)c2ccc(cc2)-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1
BDBM262609 N[C@H]1CC[C@H](CCc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(10.39,-2.52,;8.85,-2.52,;8.08,-1.18,;6.54,-1.18,;5.78,-2.52,;4.23,-2.52,;3.47,-1.18,;1.93,-1.18,;1.15,-2.52,;-.38,-2.52,;-1.15,-1.18,;-2.69,-1.18,;-3.47,.15,;-5,.15,;-5.78,-1.18,;-5,-2.52,;-3.47,-2.52,;-7.31,-1.18,;-8.08,.15,;-9.63,.15,;-10.39,-1.18,;-9.63,-2.52,;-8.08,-2.52,;-.38,.15,;-1.15,1.48,;-2.69,1.48,;-3.17,2.95,;-1.93,3.85,;-.68,2.95,;1.15,.15,;1.93,1.48,;3.26,.71,;2.69,2.82,;.59,2.25,;6.54,-3.85,;8.08,-3.85,)|
BDBM262610 N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(10.39,-2.52,;8.85,-2.52,;8.08,-3.85,;6.54,-3.85,;5.78,-2.52,;4.23,-2.52,;3.47,-1.18,;1.93,-1.18,;1.15,-2.52,;-.38,-2.52,;-1.15,-1.18,;-2.69,-1.18,;-3.47,.15,;-5,.15,;-5.78,-1.18,;-5,-2.52,;-3.47,-2.52,;-7.31,-1.18,;-8.08,.15,;-9.63,.15,;-10.39,-1.18,;-9.63,-2.52,;-8.08,-2.52,;-.38,.15,;-1.15,1.48,;-2.69,1.48,;-3.17,2.95,;-1.93,3.85,;-.68,2.95,;1.15,.15,;1.93,1.48,;3.26,.71,;2.69,2.82,;.59,2.25,;6.54,-1.18,;8.08,-1.18,)|
BDBM262698 Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
BDBM262699 Nc1nc2ccc(cc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262700 Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
BDBM262701 Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1
BDBM262702 Cc1nc(N)ccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262703 Nc1ncc2c(cccc2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262784 CNCCN(C)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262785 NS(=O)(=O)c1cccc(-c2ccc(NCC3CCN3)nc2)c1-c1nnn[nH]1
BDBM262786 NCCNc1nc2c(cccc2s1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262787 CN(C)CCNc1nc2c(cccc2s1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262788 N[C@H]1CC[C@@H](CC1)Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r,wU:4.7,wD:1.0,(-8.47,-3.17,;-6.93,-3.17,;-6.16,-4.51,;-4.62,-4.51,;-3.85,-3.17,;-4.62,-1.84,;-6.16,-1.84,;-2.31,-3.17,;-1.54,-1.84,;-.01,-1.68,;.31,-.17,;1.65,.6,;1.65,2.14,;.31,2.91,;-1.02,2.14,;-1.02,.6,;-2.17,-.43,;2.98,-.17,;2.98,-1.71,;4.31,-2.48,;5.65,-1.71,;5.65,-.17,;4.31,.6,;4.31,2.14,;3.07,3.04,;3.54,4.51,;5.08,4.51,;5.56,3.04,;6.98,.6,;8.47,1,;7.75,1.93,;7.75,-.74,)|
BDBM262789 NCCCCNc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262863 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCCN2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262864 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262865 NS(=O)(=O)c1c(ccc(-c2ccc(CN3CCNCC3)cc2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262866 NS(=O)(=O)c1c(ccc(-c2ccc(OC3CNC3)cc2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262867 NS(=O)(=O)c1c(ccc(-c2ccc3CCNCc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262868 NS(=O)(=O)c1c(ccc(-c2ccc3CNCCc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262954 NC1CC(C1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.55,5.32,;-7.22,4.55,;-5.73,4.95,;-5.33,3.47,;-6.82,3.07,;-4,2.7,;-2.51,3.09,;-2.11,1.61,;-3.6,1.21,;-.78,.84,;.55,1.61,;1.89,.84,;1.89,-.7,;.55,-1.47,;-.78,-.7,;3.22,-1.47,;3.22,-3.01,;4.55,-3.78,;5.89,-3.01,;5.89,-1.47,;4.55,-.7,;4.55,.84,;3.31,1.74,;3.78,3.21,;5.32,3.21,;5.8,1.74,;7.22,-.7,;8.55,-1.47,;8.55,.07,;7.22,.84,;7.22,-3.78,;8.55,-3.01,;7.22,-5.32,;8.55,-4.55,)|
BDBM262955 NC1CCC(C1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262956 NC1CCC(CC1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.95,5.55,;-7.61,4.78,;-6.28,5.55,;-4.94,4.78,;-4.94,3.24,;-6.28,2.47,;-7.61,3.24,;-3.61,2.47,;-2.12,2.87,;-1.72,1.38,;-3.21,.98,;-.39,.61,;.94,1.38,;2.28,.61,;2.28,-.93,;.94,-1.7,;-.39,-.93,;3.61,-1.7,;3.61,-3.24,;4.94,-4.01,;6.28,-3.24,;6.28,-1.7,;4.94,-.93,;4.94,.61,;3.7,1.52,;4.17,2.98,;5.71,2.98,;6.19,1.52,;7.61,-.93,;8.95,-1.7,;8.95,-.16,;7.61,.61,;7.61,-4.01,;8.95,-3.24,;7.61,-5.55,;8.95,-4.78,)|
BDBM262957 NC1CCCC(C1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262958 NC1CCCC1N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262513 NS(=O)(=O)c1cccc(-c2ccc(CN[C@H]3COC[C@@H]3O)cc2)c1-c1nnn[nH]1 |r|
BDBM262514 CN1[C@H]2CC[C@@H]1CC(C2)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r,TLB:0:1:7.8.6:3.4|
BDBM262515 CC(N(C)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O)C(O)=O
BDBM262516 CN(C)CCCN(C)Cc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262517 NS(=O)(=O)c1cccc(-c2ccc(CN[C@@H]3CC[C@H](O)C3)cc2)c1-c1nnn[nH]1 |r|
BDBM262518 CN1C2CCC1CC(C2)NCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |TLB:0:1:7.6.8:3.4|
BDBM262611 N[C@H]1CCC(Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:1.0,(8.47,-5.19,;7.7,-3.85,;6.16,-3.85,;5.39,-2.52,;6.16,-1.18,;5.39,.15,;3.85,.15,;3.08,-1.18,;1.54,-1.18,;.77,.15,;-.77,.15,;-1.54,1.48,;-3.08,1.48,;-3.85,.15,;-3.08,-1.18,;-1.54,-1.18,;-5.39,.15,;-6.16,1.48,;-7.7,1.48,;-8.47,.15,;-7.7,-1.18,;-6.16,-1.18,;1.54,1.48,;.77,2.82,;-.77,2.82,;-1.25,4.28,;,5.19,;1.25,4.28,;3.08,1.48,;3.85,2.82,;5.18,2.05,;4.62,4.15,;2.52,3.59,;7.7,-1.18,;8.47,-2.52,)|
BDBM262612 NS(=O)(=O)c1c(CC2(F)CCNCC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262613 NS(=O)(=O)c1c(CC2CCNCC2(F)F)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262614 NS(=O)(=O)c1c(CCC2CNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262615 NS(=O)(=O)c1c(CC2(F)CCNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262704 Cc1cc(N)ncc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262705 Nc1ncc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1
BDBM262706 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262707 Cn1c(N)[nH+]cc1-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262709 Nc1ccc(nc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262790 NCCCNc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262791 NCCCCCNc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262792 CN(CCCCN)c1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262793 NS(=O)(=O)c1cccc(-c2cccc3sc(NC4CCN(CCF)CC4)nc23)c1-c1nnn[nH]1
BDBM262794 NS(=O)(=O)c1cccc(-c2cnc3ncccn23)c1-c1nnn[nH]1
BDBM262795 NS(=O)(=O)c1cccc(-c2cnc3ccc(cn23)C#N)c1-c1nnn[nH]1
BDBM262869 NS(=O)(=O)c1c(ccc(-c2cccc(c2)C2CCNC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262870 NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262871 NS(=O)(=O)c1c(ccc(-c2cccc3NCCOc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262872 CC(CO)(CO)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262873 CNC1CCc2c1cccc2-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262874 N[C@@H]1CCCN(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r|
BDBM262959 NCCN1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262960 NCC1CCC(CC1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-9.61,4.78,;-8.28,5.55,;-6.94,4.78,;-5.61,5.55,;-4.28,4.78,;-4.28,3.24,;-5.61,2.47,;-6.94,3.24,;-2.94,2.47,;-1.46,2.87,;-1.06,1.38,;-2.55,.98,;.28,.61,;1.61,1.38,;2.94,.61,;2.94,-.93,;1.61,-1.7,;.28,-.93,;4.28,-1.7,;4.28,-3.24,;5.61,-4.01,;6.94,-3.24,;6.94,-1.7,;5.61,-.93,;5.61,.61,;4.37,1.52,;4.84,2.98,;6.38,2.98,;6.86,1.52,;8.28,-.93,;9.61,-1.7,;9.61,-.16,;8.28,.61,;8.28,-4.01,;9.61,-3.24,;8.28,-5.55,;9.61,-4.78,)|
BDBM262961 NCCC1CCC(CC1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-10.28,5.55,;-8.95,4.78,;-7.61,5.55,;-6.28,4.78,;-4.94,5.55,;-3.61,4.78,;-3.61,3.24,;-4.94,2.47,;-6.28,3.24,;-2.28,2.47,;-.79,2.87,;-.39,1.38,;-1.88,.98,;.94,.61,;2.28,1.38,;3.61,.61,;3.61,-.93,;2.28,-1.7,;.94,-.93,;4.94,-1.7,;4.94,-3.24,;6.28,-4.01,;7.61,-3.24,;7.61,-1.7,;6.28,-.93,;6.28,.61,;5.03,1.52,;5.51,2.98,;7.05,2.98,;7.52,1.52,;8.95,-.93,;10.28,-1.7,;10.28,-.16,;8.95,.61,;8.95,-4.01,;10.28,-3.24,;8.95,-5.55,;10.28,-4.78,)|
BDBM262962 CNC1CC(C1)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.55,6.09,;-8.55,4.55,;-7.22,3.78,;-5.73,4.18,;-5.33,2.7,;-6.82,2.3,;-4,1.93,;-2.51,2.32,;-2.11,.84,;-3.6,.44,;-.78,.07,;.55,.84,;1.89,.07,;1.89,-1.47,;.55,-2.24,;-.78,-1.47,;3.22,-2.24,;3.22,-3.78,;4.55,-4.55,;5.89,-3.78,;5.89,-2.24,;4.55,-1.47,;4.55,.07,;3.31,.97,;3.78,2.44,;5.32,2.44,;5.8,.97,;7.22,-1.47,;8.55,-2.24,;8.55,-.7,;7.22,.07,;7.22,-4.55,;8.55,-3.78,;7.22,-6.09,;8.55,-5.32,)|
BDBM262519 CNC(=O)CNCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262520 NS(=O)(=O)c1cccc(-c2ccc(CN3CC(F)(F)C3)cc2)c1-c1nnn[nH]1
BDBM262521 NS(=O)(=O)c1cccc(-c2ccc(CNC[C@@]3(O)CCOC3)cc2)c1-c1nnn[nH]1 |r|
BDBM262522 NS(=O)(=O)c1cccc(-c2ccc(CNC(CO)CO)cc2)c1-c1nnn[nH]1
BDBM262523 NS(=O)(=O)c1cccc(-c2ccc(CNC3CCC(=O)NC3)cc2)c1-c1nnn[nH]1
BDBM262524 NS(=O)(=O)c1cccc(-c2ccc(CNCC3(O)CCC3)cc2)c1-c1nnn[nH]1
BDBM262616 NS(=O)(=O)c1c(CC2CCNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262617 NS(=O)(=O)c1c(CC2CNC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262618 NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CCN(CC3CNC3)CC2)c1-c1nn[nH]n1
BDBM262619 NS(=O)(=O)c1c(CC2CCN(CC3CNC3)CC2)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262620 NC(=N)NC1CCC(CCc2ccc(-c3ccc(cc3)C3CCN(CC3)C(N)=N)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(12.38,-1.18,;10.84,-1.18,;10.07,.15,;10.07,-2.52,;8.64,-2.52,;7.87,-3.85,;6.33,-3.85,;5.56,-2.52,;4.22,-2.52,;3.45,-1.18,;1.91,-1.18,;1.14,-2.52,;-.4,-2.52,;-1.17,-1.18,;-2.71,-1.18,;-3.48,.15,;-5.02,.15,;-5.79,-1.18,;-5.02,-2.52,;-3.48,-2.52,;-7.1,-1.18,;-7.87,.15,;-9.41,.15,;-10.18,-1.18,;-9.41,-2.52,;-7.87,-2.52,;-11.61,-1.18,;-12.38,-2.52,;-12.38,.15,;-.4,.15,;-1.17,1.48,;-2.71,1.48,;-3.19,2.95,;-1.94,3.85,;-.7,2.95,;1.14,.15,;1.91,1.48,;3.39,1.08,;2.68,2.82,;.57,2.25,;6.33,-1.18,;7.87,-1.18,)|
BDBM262710 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C(=N)NC2CNC2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262711 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C(=N)NC2CCNC2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262712 NCCCNC(=N)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262713 Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
BDBM262714 Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C(F)(F)F
BDBM262715 Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12
BDBM262796 NS(=O)(=O)c1cccc(-c2cnc3cccc(C#N)n23)c1-c1nnn[nH]1
BDBM262797 NS(=O)(=O)c1cccc(-c2cnc3nc(ccn23)C(F)(F)F)c1-c1nnn[nH]1
BDBM262798 NS(=O)(=O)c1cccc(-c2cnc3cnccn23)c1-c1nnn[nH]1
BDBM262799 NS(=O)(=O)c1cccc(-c2cnc3ccc(Cl)nn23)c1-c1nnn[nH]1
BDBM262800 CC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262801 CC1(O)CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262875 NC1(CC(O)C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-5.51,.34,;-4.74,1.67,;-3.97,3,;-5.31,3.77,;-5.71,5.26,;-6.08,2.44,;-3.41,.9,;-2.08,1.67,;-.74,.9,;-.74,-.64,;-2.08,-1.41,;-3.41,-.64,;.59,-1.41,;.59,-2.95,;1.92,-3.72,;3.26,-2.95,;3.26,-1.41,;1.92,-.64,;1.92,.9,;3.17,1.8,;2.69,3.27,;1.15,3.27,;.68,1.8,;4.59,-.64,;5.92,-1.41,;4.99,.85,;6.08,-.24,;4.59,-3.72,;4.59,-5.26,;5.92,-2.95,;5.92,-4.49,)|
BDBM262876 NC1(CCCC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262877 NC1(CCOC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262878 NC1CCCc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262879 Nc1nc(cs1)-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262880 NCC1COc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262963 NCCCN1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262964 NCCCCN1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262965 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CN(CC3CCNC3)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262966 N[C@H]1CC[C@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wD:1.0,4.7,(-5.33,9.3,;-4,8.53,;-4,6.99,;-2.67,6.22,;-1.33,6.99,;-1.33,8.53,;-2.67,9.3,;,6.22,;1.33,6.99,;2.67,6.22,;2.72,4.65,;1.33,3.91,;,4.68,;-1.33,3.91,;-1.33,2.37,;-2.8,1.89,;-3.7,3.14,;-2.8,4.39,;1.33,2.37,;2.67,1.6,;,1.6,;2.67,3.14,;4.05,3.88,;5.38,3.11,;3.28,2.55,;4.82,5.22,)|
BDBM262967 N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:1.0,wD:4.7,(-5.33,9.3,;-4,8.53,;-2.67,9.3,;-1.33,8.53,;-1.33,6.99,;-2.67,6.22,;-4,6.99,;,6.22,;1.33,6.99,;2.67,6.22,;2.72,4.65,;1.33,3.91,;,4.68,;-1.33,3.91,;-1.33,2.37,;-2.8,1.89,;-3.7,3.14,;-2.8,4.39,;1.33,2.37,;2.67,1.6,;,1.6,;2.67,3.14,;4.05,3.88,;5.38,3.11,;3.28,2.55,;4.82,5.22,)|
BDBM262525 NS(=O)(=O)c1cccc(-c2ccc(CNCc3ccncn3)cc2)c1-c1nnn[nH]1
BDBM262526 NS(=O)(=O)c1cccc(-c2ccc(CN3CCC3C(O)=O)cc2)c1-c1nnn[nH]1
BDBM262527 NS(=O)(=O)c1cccc(-c2ccc(CNC3CCN(CC3)C3CCCC3)cc2)c1-c1nnn[nH]1
BDBM262528 NS(=O)(=O)c1cccc(-c2ccc(CNCC3(O)CC3)cc2)c1-c1nnn[nH]1
BDBM262529 NS(=O)(=O)c1cccc(-c2ccc(CNCc3nn[nH]n3)cc2)c1-c1nnn[nH]1
BDBM262530 NS(=O)(=O)c1cccc(-c2ccc(CNCCc3ncc[nH]3)cc2)c1-c1nnn[nH]1
BDBM262621 NS(=O)(=O)c1c(CCC(F)(F)F)ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1
BDBM262622 NS(=O)(=O)c1c(ccc(-c2cnc3cc[nH]c3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262623 Nc1ncc(cn1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262624 Nc1ncc(cc1F)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262625 Nc1n[nH]c2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262626 Nc1ccnc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262716 Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C#N
BDBM262717 Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
BDBM262718 Nc1nc2cncc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
BDBM262719 Cc1nc(N)ccc1Cc1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262720 Cc1cc(N)ncc1Cc1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262721 N[C@H]1CC[C@@H](Cc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(6.93,-5.19,;6.16,-3.85,;4.62,-3.85,;3.85,-2.52,;4.62,-1.18,;3.85,.15,;2.31,.15,;1.54,-1.18,;,-1.18,;-.77,.15,;-2.31,.15,;-3.08,-1.18,;-4.62,-1.18,;-5.39,.15,;-6.93,.15,;-4.62,1.48,;-3.08,1.48,;,1.48,;-.77,2.82,;-2.31,2.82,;-2.79,4.28,;-1.54,5.19,;-.29,4.28,;1.57,1.53,;2.34,2.86,;3.67,2.09,;3.11,4.2,;1,3.63,;6.16,-1.18,;6.93,-2.52,)|
BDBM262802 Cc1n[nH]c2CCN(Cc12)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262803 NC(=O)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262804 NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262805 NS(=O)(=O)c1c(ccc(N2CC3C(CO)C3C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262806 NS(=O)(=O)c1c(ccc(N2CCCC(CO)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262807 NS(=O)(=O)c1c(ccc(N2CCCC(CCO)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262881 NCCc1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262882 NCCCc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262883 NCCS(=O)(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262884 NS(=O)(=O)Cc1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262885 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C(O)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262886 NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCCC(O)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262968 NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262969 NC(=N)N1CCC2(CC1)CCN(CC2)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262970 NC(=N)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:4.3,wD:7.10,(6,-4.23,;4.67,-3.47,;4.67,-1.93,;3.33,-4.23,;2,-3.47,;.67,-4.23,;-.67,-3.47,;-.67,-1.93,;.67,-1.15,;2,-1.93,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;-.67,2.69,;.8,3.17,;1.7,1.93,;.8,.68,;-3.33,2.69,;-4.87,2.69,;-3.33,4.23,;-1.79,2.69,;-6,1.15,;-7.34,.39,;-6,2.69,;-6,-.38,)|
BDBM262971 NC(=N)NC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262972 NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)|
BDBM262531 NS(=O)(=O)c1cccc(-c2ccc(CNCCn3nccn3)cc2)c1-c1nnn[nH]1
BDBM262532 NS(=O)(=O)c1cccc(-c2ccc(CNCCc3c[nH]cn3)cc2)c1-c1nnn[nH]1
BDBM262533 NS(=O)(=O)c1cccc(-c2ccc(CNCCc3cn[nH]c3)cc2)c1-c1nnn[nH]1
BDBM262534 NS(=O)(=O)c1cccc(-c2ccc(CN3CCNC(=O)C3)cc2)c1-c1nnn[nH]1
BDBM262535 NS(=O)(=O)c1cccc(-c2ccc(CN3C[C@H](O)C[C@H]3CO)cc2)c1-c1nnn[nH]1 |r|
BDBM262536 NS(=O)(=O)c1cccc(-c2ccc(CNC3CCNC3=O)cc2)c1-c1nnn[nH]1
BDBM262627 Nc1ccnc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262628 Nc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262630 NC(=N)c1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262631 NS(=O)(=O)c1c(ccc(-c2cccc3sc(nc23)C#N)c1-c1nnn[nH]1)C(F)(F)F
BDBM262722 N[C@H]1CC[C@H](Cc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(6.93,-5.19,;6.16,-3.85,;6.93,-2.52,;6.16,-1.18,;4.62,-1.18,;3.85,.15,;2.31,.15,;1.54,-1.18,;,-1.18,;-.77,.15,;-2.31,.15,;-3.08,-1.18,;-4.62,-1.18,;-5.39,.15,;-6.93,.15,;-4.62,1.48,;-3.08,1.48,;,1.48,;-.77,2.82,;-2.31,2.82,;-2.79,4.28,;-1.54,5.19,;-.29,4.28,;1.57,1.53,;2.34,2.86,;3.67,2.09,;3.11,4.2,;1,3.63,;3.85,-2.52,;4.62,-3.85,)|
BDBM262723 Nc1ccc(cn1)-c1ccc(CC2CCNCC2)c(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262724 N[C@H]1CC[C@H](CCc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(8.85,-2.52,;7.31,-2.52,;6.54,-1.18,;5,-1.18,;4.23,-2.52,;2.69,-2.52,;1.93,-1.18,;.38,-1.18,;-.38,-2.52,;-1.93,-2.52,;-2.69,-1.18,;-4.23,-1.18,;-5,-2.52,;-6.54,-2.52,;-7.31,-1.18,;-8.85,-1.18,;-6.54,.15,;-5,.15,;-1.93,.15,;-2.69,1.48,;-4.23,1.48,;-4.71,2.95,;-3.47,3.85,;-2.22,2.95,;-.36,.2,;.41,1.53,;1.75,.76,;1.18,2.86,;-.92,2.3,;5,-3.85,;6.54,-3.85,)|
BDBM262725 N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(8.85,-2.52,;7.31,-2.52,;6.54,-3.85,;5,-3.85,;4.23,-2.52,;2.69,-2.52,;1.93,-1.18,;.38,-1.18,;-.38,-2.52,;-1.93,-2.52,;-2.69,-1.18,;-4.23,-1.18,;-5,-2.52,;-6.54,-2.52,;-7.31,-1.18,;-8.85,-1.18,;-6.54,.15,;-5,.15,;-1.93,.15,;-2.69,1.48,;-4.23,1.48,;-4.71,2.95,;-3.47,3.85,;-2.22,2.95,;-.36,.2,;.41,1.53,;1.75,.76,;1.18,2.86,;-.92,2.3,;5,-1.18,;6.54,-1.18,)|
BDBM262726 NC[C@H]1CC[C@H](Cc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,wD:2.1,(7.7,-5.19,;6.16,-5.19,;5.39,-3.85,;6.16,-2.52,;5.39,-1.18,;3.85,-1.18,;3.08,.15,;1.54,.15,;.77,-1.18,;-.77,-1.18,;-1.54,.15,;-3.08,.15,;-3.85,-1.18,;-5.39,-1.18,;-6.16,.15,;-7.7,.15,;-5.39,1.48,;-3.85,1.48,;-.77,1.48,;-1.54,2.82,;-3.08,2.82,;-3.56,4.28,;-2.31,5.19,;-1.06,4.28,;.8,1.53,;1.57,2.86,;2.9,2.09,;2.34,4.2,;.23,3.63,;3.08,-2.52,;3.85,-3.85,)|
BDBM262808 NS(=O)(=O)c1c(ccc(N2CCC(CCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262809 NC(=O)C1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262810 NS(=O)(=O)c1c(ccc(N2CC[C@H](CO)[C@H](F)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262812 NS(=O)(=O)c1c(ccc(N2CCC[C@@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262813 NS(=O)(=O)c1c(ccc(N2C[C@H](O)C[C@@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262887 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262888 NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262889 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)S(=O)(=O)CCO)c1-c1nnn[nH]1)C(F)(F)F
BDBM262890 Nc1nc2c(F)cc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262891 NS(=O)(=O)c1c(ccc(-c2ccc(nc2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262892 Nc1ccc2cc(ccc2n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262973 NC(=N)N1CCC2(CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1
BDBM262974 NCCNC1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.26,.82,;-6.92,1.59,;-5.59,.82,;-4.26,1.59,;-2.92,.82,;-2.15,2.15,;-.66,1.73,;.82,2.15,;.05,.82,;-1.44,1.24,;2.31,1.75,;3.4,2.84,;4.88,2.44,;5.33,.94,;4.19,-.13,;2.7,.26,;1.62,-.82,;1.62,-2.36,;.15,-2.84,;-.75,-1.59,;.15,-.35,;4.59,-1.62,;3.5,-2.71,;6.08,-1.22,;5.68,-2.71,;6.82,.54,;8.31,.14,;6.9,-1,;7.22,2.03,)|
BDBM262975 NCCNC1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-6.92,-3.32,;-5.59,-2.55,;-5.59,-1.01,;-4.26,-.24,;-4.26,1.3,;-3.49,2.63,;-2,2.21,;-.51,2.63,;-1.29,1.3,;-2.77,1.72,;.97,2.23,;2.06,3.32,;3.55,2.92,;4,1.42,;2.86,.35,;1.37,.75,;.28,-.34,;.76,-1.81,;-.49,-2.71,;-1.73,-1.81,;-1.26,-.34,;3.26,-1.14,;2.49,-2.47,;4.59,-1.91,;4.59,-.37,;5.49,1.02,;6.98,.62,;5.57,-.51,;5.89,2.51,)|
BDBM262976 NCCNC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262977 NC1(CNC2CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1 |(-6.88,2.24,;-6.88,.7,;-5.39,.3,;-4.3,1.39,;-2.81,.99,;-2.04,2.33,;-.55,1.9,;.93,2.33,;.16,.99,;-1.33,1.42,;2.41,1.93,;3.5,3.02,;4.99,2.62,;5.44,1.12,;4.3,.04,;2.81,.44,;1.72,-.65,;2.2,-2.11,;.95,-3.02,;-.29,-2.11,;.18,-.65,;4.7,-1.44,;3.93,-2.78,;6.03,-2.21,;6.03,-.67,;6.93,.72,;8.42,.32,;7.01,-.82,;7.33,2.21,;-8.36,1.1,;-7.97,-.39,)|
BDBM262537 NS(=O)(=O)c1cccc(-c2ccc(CNCCc3cc[nH]n3)cc2)c1-c1nnn[nH]1
BDBM262538 NS(=O)(=O)c1cccc(-c2ccc(CNCCO)cc2)c1-c1nnn[nH]1
BDBM262539 NS(=O)(=O)c1cccc(-c2ccc(CN3CC[C@@H](CO)C3)cc2)c1-c1nnn[nH]1 |r|
BDBM262540 NS(=O)(=O)c1cccc(-c2ccc(CN3CC[C@H](CO)C3)cc2)c1-c1nnn[nH]1 |r|
BDBM262541 NS(=O)(=O)c1cccc(-c2ccc(CN3CCC(CCO)C3)cc2)c1-c1nnn[nH]1
BDBM262542 NS(=O)(=O)c1cccc(-c2ccc(CN3CCC(O)CC3)cc2)c1-c1nnn[nH]1
BDBM262633 NS(=O)(=O)c1c(ccc(-c2cccn3cncc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262634 NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262635 Cc1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262636 CC(C)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262637 NS(=O)(=O)c1c(ccc(C2CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262638 NS(=O)(=O)c1c(ccc(C2CCCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262639 NS(=O)(=O)c1c(ccc(C2CCCCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262727 NC[C@H]1CC[C@@H](Cc2ccc(-c3ccc(N)nc3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,2.1,(7.7,-5.19,;6.16,-5.19,;5.39,-3.85,;3.85,-3.85,;3.08,-2.52,;3.85,-1.18,;3.08,.15,;1.54,.15,;.77,-1.18,;-.77,-1.18,;-1.54,.15,;-3.08,.15,;-3.85,-1.18,;-5.39,-1.18,;-6.16,.15,;-7.7,.15,;-5.39,1.48,;-3.85,1.48,;-.77,1.48,;-1.54,2.82,;-3.08,2.82,;-3.56,4.28,;-2.31,5.19,;-1.06,4.28,;.8,1.53,;1.57,2.86,;2.9,2.09,;2.34,4.2,;.23,3.63,;5.39,-1.18,;6.16,-2.52,)|
BDBM262728 Nc1ccc(cn1)-c1ccc(CCC2CCNCC2)c(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262729 N[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:1.0,wD:4.4,(9.24,-4.06,;7.91,-3.29,;6.57,-4.06,;5.24,-3.29,;5.24,-1.75,;3.91,-.98,;2.37,-.98,;1.6,-2.31,;.06,-2.31,;-.71,-.98,;-2.25,-.98,;-3.02,.36,;-4.56,.36,;-5.33,-.98,;-4.56,-2.31,;-3.02,-2.31,;-6.87,-.98,;-7.78,.27,;-9.24,-.21,;-9.24,-1.75,;-7.78,-2.22,;.06,.36,;-.71,1.69,;-2.25,1.69,;-2.73,3.15,;-1.48,4.06,;-.24,3.15,;1.63,.4,;2.39,1.74,;3.73,.97,;3.16,3.07,;1.06,2.51,;6.57,-.98,;7.91,-1.75,)|
BDBM262730 N[C@H]1CC[C@@H](Cc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(8.75,-4.7,;7.66,-3.61,;6.18,-4.01,;5.09,-2.92,;5.49,-1.43,;4.4,-.34,;2.86,-.34,;2.09,-1.67,;.55,-1.67,;-.22,-.34,;-1.76,-.34,;-2.53,-1.67,;-4.07,-1.67,;-4.84,-.34,;-4.07,.99,;-2.53,.99,;-6.38,-.34,;-7.29,.91,;-8.75,.43,;-8.75,-1.11,;-7.29,-1.59,;.55,.99,;-.22,2.33,;-1.76,2.33,;-2.24,3.79,;-.99,4.7,;.25,3.79,;2.09,.99,;2.86,2.33,;4.19,1.56,;3.63,3.66,;1.52,3.1,;6.97,-1.03,;8.06,-2.12,)|
BDBM262814 NS(=O)(=O)c1c(ccc(N2CCN3C(COC3=O)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262815 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC3CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262816 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(C[C@@H]3CCCN3)CC2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262817 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(C[C@H]3CNCCO3)CC2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262818 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC3CNC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262893 NS(=O)(=O)c1c(ccc(-c2ccc3C(=O)NCc3c2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262894 Cc1ccncc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262895 NS(=O)(=O)c1c(ccc(-c2cnc3ccccn23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262896 Nc1ncnc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262897 Nc1nc(N)c2ccc(cc2n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262898 Nc1nccc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262978 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(5.6,7.15,;4.27,7.92,;5.04,9.26,;4.67,6.43,;2.94,7.15,;2.98,5.58,;1.6,4.84,;.27,5.61,;.27,7.15,;-1.22,7.55,;-1.99,6.22,;-3.48,6.64,;-4.96,6.22,;-4.19,7.55,;-2.7,7.13,;-4.96,4.68,;-6.29,3.91,;-6.29,2.37,;-4.96,1.6,;-3.63,2.37,;-3.63,3.91,;1.6,7.92,;1.6,9.46,;.36,10.37,;.83,11.83,;2.37,11.83,;2.85,10.37,;4.32,4.81,;5.65,4.04,;3.55,3.48,;5.46,5.84,)|
BDBM262979 NS(=O)(=O)c1c(ccc([C@H]2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wD:9.8,(5.6,7.15,;4.27,7.92,;5.04,9.26,;4.67,6.43,;2.94,7.15,;2.98,5.58,;1.6,4.84,;.27,5.61,;.27,7.15,;-1.22,7.55,;-2.7,7.13,;-4.19,7.55,;-4.96,6.22,;-3.48,6.64,;-1.99,6.22,;-4.96,4.68,;-6.29,3.91,;-6.29,2.37,;-4.96,1.6,;-3.63,2.37,;-3.63,3.91,;1.6,7.92,;1.6,9.46,;.36,10.37,;.83,11.83,;2.37,11.83,;2.85,10.37,;4.32,4.81,;5.65,4.04,;3.55,3.48,;5.46,5.84,)|
BDBM262980 NS(=O)(=O)c1c(ccc(C2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262981 NC1(CN2CCC3(CCC(CC3)c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)CC2)CC1
BDBM262982 NS(=O)(=O)c1c(ccc(C2CCN(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262543 NS(=O)(=O)c1cccc(-c2ccc(CN3CCCC3CO)cc2)c1-c1nnn[nH]1
BDBM262544 NS(=O)(=O)c1cccc(-c2ccc(CN3CC(O)C(F)C3)cc2)c1-c1nnn[nH]1
BDBM262545 CCOCc1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262546 Cc1ccc(nc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262547 NS(=O)(=O)c1ccc2ccccc2c1-c1nnn[nH]1
BDBM262548 Nc1nccc2ccc(cc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262549 Nc1ccnc2ccc(cc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262640 NS(=O)(=O)c1c(ccc(C2CCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262641 NS(=O)(=O)c1c(ccc(C2CCNc3ccccc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262642 NS(=O)(=O)c1c(ccc(C2CCn3cncc3C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262643 NS(=O)(=O)c1c(ccc(C2CC[C@H](O)CC2)c1-c1nnn[nH]1)C(F)(F)F |r,wD:12.12,(3.68,-2.1,;2.35,-2.87,;2.35,-1.33,;3.68,-3.64,;1.95,-4.35,;3.09,-5.43,;2.64,-6.93,;1.15,-7.33,;.07,-6.24,;-1.42,-6.64,;-1.82,-8.13,;-3.31,-8.52,;-4.4,-7.44,;-5.88,-7.83,;-4,-5.95,;-2.51,-5.55,;.46,-4.75,;-.62,-3.66,;-2.16,-3.66,;-2.64,-2.2,;-1.39,-1.29,;-.15,-2.2,;4.58,-5.03,;6.07,-4.63,;4.98,-6.52,;4.66,-3.49,)|
BDBM262644 NS(=O)(=O)c1c(ccc(C2CC[C@H](O)CC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:12.12,(3.68,-2.1,;2.35,-2.87,;2.35,-1.33,;3.68,-3.64,;1.95,-4.35,;3.09,-5.43,;2.64,-6.93,;1.15,-7.33,;.07,-6.24,;-1.42,-6.64,;-2.51,-5.55,;-4,-5.95,;-4.4,-7.44,;-5.88,-7.83,;-3.31,-8.52,;-1.82,-8.13,;.46,-4.75,;-.62,-3.66,;-2.16,-3.66,;-2.64,-2.2,;-1.39,-1.29,;-.15,-2.2,;4.58,-5.03,;6.07,-4.63,;4.98,-6.52,;4.66,-3.49,)|
BDBM262731 N[C@H]1CC[C@H](CCc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(9.52,-5.11,;8.19,-4.34,;8.19,-2.8,;6.86,-2.03,;5.52,-2.8,;4.19,-2.03,;3.42,-.7,;2.09,.07,;1.32,-1.26,;-.22,-1.26,;-.99,.07,;-2.53,.07,;-3.3,-1.26,;-4.84,-1.26,;-5.61,.07,;-4.84,1.41,;-3.3,1.41,;-7.15,.07,;-8.06,1.32,;-9.52,.84,;-9.52,-.7,;-8.06,-1.17,;-.22,1.41,;-.99,2.74,;-2.53,2.74,;-3.01,4.21,;-1.76,5.11,;-.52,4.21,;1.32,1.41,;2.09,2.74,;3.42,1.97,;3.42,3.51,;1.32,4.07,;5.52,-4.34,;6.86,-5.11,)|
BDBM262732 N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(9.52,-5.11,;8.19,-4.34,;6.86,-5.11,;5.52,-4.34,;5.52,-2.8,;4.19,-2.03,;3.42,-.7,;2.09,.07,;1.32,-1.26,;-.22,-1.26,;-.99,.07,;-2.53,.07,;-3.3,-1.26,;-4.84,-1.26,;-5.61,.07,;-4.84,1.41,;-3.3,1.41,;-7.15,.07,;-8.06,1.32,;-9.52,.84,;-9.52,-.7,;-8.06,-1.17,;-.22,1.41,;-.99,2.74,;-2.53,2.74,;-3.01,4.21,;-1.76,5.11,;-.52,4.21,;1.32,1.41,;2.09,2.74,;3.42,1.97,;3.42,3.51,;2.09,4.28,;6.86,-2.03,;8.19,-2.8,)|
BDBM262733 NC[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,wD:2.1,(9.1,-5.33,;7.56,-5.33,;6.79,-3.99,;7.19,-2.51,;6.1,-1.42,;4.61,-1.81,;3.84,-.48,;2.51,.29,;1.74,-1.04,;.2,-1.04,;-.57,.29,;-2.11,.29,;-2.88,-1.04,;-4.42,-1.04,;-5.19,.29,;-4.42,1.62,;-2.88,1.62,;-6.73,.29,;-7.64,1.53,;-9.1,1.06,;-9.1,-.48,;-7.64,-.96,;.2,1.62,;-.57,2.96,;-2.11,2.96,;-2.59,4.42,;-1.34,5.33,;-.1,4.42,;1.74,1.62,;2.51,2.96,;3.84,2.19,;3.84,3.73,;2.51,4.5,;4.21,-3.3,;5.3,-4.39,)|
BDBM262734 NC[C@H]1CC[C@@H](Cc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,2.1,(9.1,-5.33,;7.56,-5.33,;6.79,-3.99,;5.3,-4.39,;4.21,-3.3,;4.61,-1.81,;3.84,-.48,;2.51,.29,;1.74,-1.04,;.2,-1.04,;-.57,.29,;-2.11,.29,;-2.88,-1.04,;-4.42,-1.04,;-5.19,.29,;-4.42,1.62,;-2.88,1.62,;-6.73,.29,;-7.64,1.53,;-9.1,1.06,;-9.1,-.48,;-7.64,-.96,;.2,1.62,;-.57,2.96,;-2.11,2.96,;-2.59,4.42,;-1.34,5.33,;-.1,4.42,;1.74,1.62,;2.51,2.96,;3.84,2.19,;3.84,3.73,;1.74,4.29,;6.1,-1.42,;7.19,-2.51,)|
BDBM262819 NC1(CN2CCC(CC2)c2ccc(cc2)-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1
BDBM262820 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC3CCCNC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262821 CNCCN1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262822 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(C[C@H]3CCCN3)CC2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262823 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC3CCCCN3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262899 CCn1c(N)nc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262900 Nc1nccc(n1)-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262901 N[C@@H]1CN(CC11CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r|
BDBM262902 NCCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262903 NS(=O)(=O)c1c(ccc(N2C[C@@H](O)[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262904 NS(=O)(=O)c1c(ccc(N2C[C@H](O)[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262983 NC1Cc2cccc(c2C1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262984 NC[C@H](N)C(=O)NC1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:2.2,(-8.8,-.49,;-7.47,.28,;-6.13,-.49,;-6.13,-2.03,;-4.8,.28,;-4.8,1.82,;-3.31,-.12,;-1.98,-.89,;-1.21,.45,;.28,.03,;1.76,.45,;.99,-.89,;-.5,-.46,;3.25,.05,;2.85,-1.44,;3.94,-2.53,;5.47,-2.22,;5.83,-.64,;4.74,.45,;5.14,1.94,;3.89,2.84,;4.37,4.31,;5.91,4.31,;6.38,2.84,;7.31,-.24,;8.8,-.64,;8.4,.85,;7.71,-1.73,;6.55,-3.32,;7.62,-4.42,;5.44,-4.39,;7.65,-2.24,)|
BDBM262985 NC1CCC(CC1)c1ccc(CCC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O |(-8.08,-1.18,;-6.54,-1.18,;-5.78,.15,;-4.23,.15,;-3.47,-1.18,;-4.23,-2.52,;-5.78,-2.52,;-1.93,-1.18,;-1.15,-2.52,;.38,-2.52,;1.15,-1.18,;2.69,-1.18,;3.47,-2.52,;5,-2.52,;5.78,-3.85,;7.31,-3.85,;8.08,-2.52,;7.31,-1.18,;5.78,-1.18,;.38,.15,;-1.15,.15,;-1.93,1.48,;-1.45,2.95,;-2.69,3.85,;-3.94,2.95,;-3.47,1.48,;1.15,1.48,;2.69,1.48,;-.38,1.48,;1.93,2.82,)|
BDBM262986 NC1CCC(CC1)c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O |(-6.93,-.52,;-5.39,-.52,;-4.62,.82,;-3.08,.82,;-2.31,-.52,;-3.08,-1.85,;-4.62,-1.85,;-.77,-.52,;,-1.85,;1.54,-1.85,;2.31,-.52,;3.85,-.52,;4.62,-1.85,;6.16,-1.85,;6.93,-3.19,;6.16,-4.52,;4.62,-4.52,;3.85,-3.19,;1.54,.82,;,.82,;-.77,2.15,;-.29,3.61,;-1.54,4.52,;-2.79,3.61,;-2.31,2.15,;2.31,2.15,;3.85,2.15,;.77,2.15,;3.08,3.48,)|
BDBM262987 NS(=O)(=O)c1c(ccc(-c2cccn3nc[nH+]c23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262574 NS(=O)(=O)c1cccc(-c2ccc(NCCO)nc2)c1-c1nn[nH]n1
BDBM262550 Nc1cnc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262551 Nc1ccc2cc(ccc2n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262552 NS(=O)(=O)c1cccc(-c2cnc3ccccn23)c1-c1nnn[nH]1
BDBM262553 NS(=O)(=O)c1cccc(-c2ccc3nccnc3c2)c1-c1nnn[nH]1
BDBM262554 NS(=O)(=O)c1cccc(-c2ccnc3ncccc23)c1-c1nnn[nH]1
BDBM262555 NS(=O)(=O)c1cccc(-c2nc(cs2)-c2ccncc2)c1-c1nnn[nH]1
BDBM262556 NS(=O)(=O)c1cccc(-c2ccc3cnccc3c2)c1-c1nnn[nH]1
BDBM262645 NCC1(N)CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-5.23,-4.36,;-5.63,-2.87,;-4.54,-1.78,;-5.87,-1.01,;-4.14,-.3,;-2.65,.1,;-1.56,-.99,;-1.96,-2.47,;-3.45,-2.87,;-.08,-.59,;1.01,-1.68,;2.5,-1.28,;2.95,.22,;1.81,1.3,;.32,.9,;-.77,1.99,;-2.31,1.99,;-2.78,3.45,;-1.54,4.36,;-.29,3.45,;2.21,2.79,;3.54,3.56,;2.21,4.33,;3.54,2.02,;4.44,.62,;5.93,1.02,;4.84,-.86,;4.52,2.16,)|
BDBM262646 NCC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:3.2,(-7.24,-7.85,;-5.75,-7.45,;-4.66,-8.54,;-3.17,-8.15,;-2.78,-6.66,;-1.29,-6.26,;-.2,-7.35,;-.6,-8.84,;-2.09,-9.23,;1.29,-6.95,;2.38,-8.04,;3.86,-7.64,;4.32,-6.14,;3.17,-5.06,;1.69,-5.46,;.6,-4.37,;-.94,-4.37,;-1.42,-2.91,;-.17,-2,;1.07,-2.91,;3.57,-3.58,;4.91,-2.81,;3.57,-2.04,;4.91,-4.35,;5.8,-5.74,;7.29,-5.34,;6.2,-7.23,;5.88,-4.2,)|
BDBM262647 NCC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wD:3.2,(-7.24,-7.85,;-5.75,-7.45,;-4.66,-8.54,;-3.17,-8.15,;-2.09,-9.23,;-.6,-8.84,;-.2,-7.35,;-1.29,-6.26,;-2.78,-6.66,;1.29,-6.95,;2.38,-8.04,;3.86,-7.64,;4.32,-6.14,;3.17,-5.06,;1.69,-5.46,;.6,-4.37,;-.94,-4.37,;-1.42,-2.91,;-.17,-2,;1.07,-2.91,;3.57,-3.58,;4.91,-2.81,;3.57,-2.04,;4.91,-4.35,;5.8,-5.74,;7.29,-5.34,;6.2,-7.23,;5.88,-4.2,)|
BDBM262648 NC[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:2.1,wD:5.8,(-6.49,-7.56,;-5.41,-8.65,;-3.92,-8.25,;-3.52,-6.77,;-2.03,-6.37,;-.94,-7.46,;-1.34,-8.94,;-2.83,-9.34,;.54,-7.06,;1.63,-8.15,;3.12,-7.75,;3.57,-6.25,;2.43,-5.17,;.94,-5.57,;-.15,-4.48,;-1.69,-4.48,;-2.16,-3.02,;-.92,-2.11,;.33,-3.02,;2.83,-3.68,;4.16,-2.91,;2.83,-2.14,;4.16,-4.45,;5.06,-5.85,;6.55,-5.45,;5.46,-7.34,;5.14,-4.31,)|
BDBM262649 NC[C@H]1CC[C@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wD:5.8,2.1,(-6.49,-7.56,;-5.41,-8.65,;-3.92,-8.25,;-2.83,-9.34,;-1.34,-8.94,;-.94,-7.46,;-2.03,-6.37,;-3.52,-6.77,;.54,-7.06,;1.63,-8.15,;3.12,-7.75,;3.57,-6.25,;2.43,-5.17,;.94,-5.57,;-.15,-4.48,;-1.69,-4.48,;-2.16,-3.02,;-.92,-2.11,;.33,-3.02,;2.83,-3.68,;4.16,-2.91,;2.83,-2.14,;4.16,-4.45,;5.06,-5.85,;6.55,-5.45,;5.46,-7.34,;5.14,-4.31,)|
BDBM262735 NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CCNC2)c1-c1nn[nH]n1
BDBM262736 NC[C@H]1CCC(CC1)c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O |r,wU:2.1,(-6.92,-9.01,;-6.15,-7.67,;-4.61,-7.67,;-3.84,-6.34,;-2.3,-6.34,;-1.53,-7.67,;-2.3,-9.01,;-3.84,-9.01,;.01,-7.67,;.78,-9.01,;2.32,-9.01,;3.09,-7.67,;4.63,-7.67,;5.03,-9.16,;3.94,-10.25,;4.34,-11.74,;5.83,-12.14,;6.92,-11.05,;6.52,-9.56,;2.32,-6.34,;.78,-6.34,;.01,-5.01,;-1.53,-5.01,;-2,-3.54,;-.76,-2.64,;.49,-3.54,;3.09,-5.01,;4.43,-5.78,;1.76,-4.24,;3.86,-3.67,)|
BDBM262737 NC[C@H]1CC[C@H](CC1)c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O |r,wU:5.8,2.1,(-6.92,-9.01,;-6.15,-7.67,;-4.61,-7.67,;-3.84,-6.34,;-2.3,-6.34,;-1.53,-7.67,;-2.3,-9.01,;-3.84,-9.01,;.01,-7.67,;.78,-9.01,;2.32,-9.01,;3.09,-7.67,;4.63,-7.67,;5.03,-9.16,;3.94,-10.25,;4.34,-11.74,;5.83,-12.14,;6.92,-11.05,;6.52,-9.56,;2.32,-6.34,;.78,-6.34,;.01,-5.01,;-1.53,-5.01,;-2,-3.54,;-.76,-2.64,;.49,-3.54,;3.09,-5.01,;4.43,-5.78,;1.76,-4.24,;3.86,-3.67,)|
BDBM262738 NC[C@H]1CC[C@@H](CC1)c1ccc(CCC2CCNCC2)c(c1-c1nnn[nH]1)S(N)(=O)=O |r,wU:2.1,wD:5.8,(-8.18,-4,;-7.78,-2.51,;-6.3,-2.11,;-5.9,-.62,;-4.41,-.23,;-3.32,-1.31,;-3.72,-2.8,;-5.21,-3.2,;-1.83,-.92,;-.74,-2,;.74,-1.61,;1.14,-.12,;2.63,.28,;3.72,-.81,;5.21,-.41,;6.3,-1.5,;7.78,-1.1,;8.18,.39,;7.09,1.48,;5.6,1.08,;.05,.97,;-1.43,.57,;-2.52,1.66,;-3.99,1.18,;-4.89,2.43,;-3.99,3.68,;-2.52,3.2,;.45,2.46,;1.79,3.23,;.45,4,;1.94,2.06,)|
BDBM262739 NC[C@H]1CC[C@H](CC1)c1ccc(CCC2CCNCC2)c(c1-c1nnn[nH]1)S(N)(=O)=O |r,wU:5.8,2.1,(-8.18,-4,;-7.78,-2.51,;-6.3,-2.11,;-5.9,-.62,;-4.41,-.23,;-3.32,-1.31,;-3.72,-2.8,;-5.21,-3.2,;-1.83,-.92,;-.74,-2,;.74,-1.61,;1.14,-.12,;2.63,.28,;3.72,-.81,;5.21,-.41,;6.3,-1.5,;7.78,-1.1,;8.18,.39,;7.09,1.48,;5.6,1.08,;.05,.97,;-1.43,.57,;-2.52,1.66,;-3.99,1.18,;-4.89,2.43,;-3.99,3.68,;-2.52,3.2,;.45,2.46,;1.79,3.23,;.45,4,;1.94,2.06,)|
BDBM262824 C[N+](C)(C)CCN1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262825 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(C[C@@H]3CNCCO3)CC2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262826 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC[C@H]3CCN[C@H]3C2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:23.23,19.20,9.8,wD:12.15,(8.52,1.13,;7.19,.36,;8.52,-.41,;7.96,1.69,;5.85,-.41,;5.85,-1.95,;4.52,-2.72,;3.19,-1.95,;3.19,-.41,;1.85,.36,;.52,-.41,;-.82,.36,;-.82,1.9,;.52,2.67,;1.85,1.9,;-2.15,2.67,;-3.48,1.9,;-3.48,.36,;-4.82,-.41,;-6.15,.36,;-7.61,-.12,;-8.52,1.13,;-7.61,2.37,;-6.15,1.9,;-4.82,2.67,;4.52,.36,;4.52,1.9,;3.27,2.8,;3.75,4.26,;5.29,4.26,;5.77,2.8,;7.19,-2.72,;8.52,-1.95,;7.19,-4.26,;8.52,-3.49,)|
BDBM262827 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NCC2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(8,.77,;6.67,,;8,-.77,;7.44,1.33,;5.33,-.77,;5.33,-2.31,;4,-3.08,;2.67,-2.31,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;1.33,1.54,;-2.67,2.31,;-4,1.54,;-5.33,2.31,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-6.67,1.54,;4,,;4,1.54,;2.76,2.45,;3.23,3.91,;4.77,3.91,;5.25,2.45,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,)|
BDBM262905 NC1CN(C1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262906 NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262907 CC(C)(C)C(=O)NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262908 NC1CCCC11CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262909 NCC1CN(C1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262557 NS(=O)(=O)c1cccc(-c2csc(n2)-c2ccncc2)c1-c1nnn[nH]1
BDBM262558 NS(=O)(=O)c1cccc(-c2cc3ccncc3s2)c1-c1nnn[nH]1
BDBM262559 NS(=O)(=O)c1cccc(-c2cc3cnccc3s2)c1-c1nnn[nH]1
BDBM262560 Nc1ccnc2cc(ccc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262561 NS(=O)(=O)c1cccc(-c2snc3ncccc23)c1-c1nnn[nH]1
BDBM262562 NS(=O)(=O)c1cccc(-c2snc3cccnc23)c1-c1nnn[nH]1
BDBM262563 Nc1ccc(-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)c2ccncc12
BDBM262650 NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:5.4,(-6.75,-11.21,;-6.35,-9.72,;-7.44,-8.64,;-4.86,-9.33,;-4.46,-7.84,;-2.98,-7.44,;-2.58,-5.95,;-1.09,-5.55,;,-6.64,;-.4,-8.13,;-1.89,-8.53,;1.49,-6.24,;2.58,-7.33,;4.06,-6.93,;4.52,-5.43,;3.37,-4.36,;1.89,-4.76,;.8,-3.67,;-.74,-3.67,;-1.22,-2.2,;.03,-1.3,;1.27,-2.2,;3.77,-2.87,;5.11,-2.1,;3.77,-1.33,;5.11,-3.64,;6,-5.03,;7.49,-4.64,;6.4,-6.52,;6.08,-3.5,)|
BDBM262651 NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:5.4,(-6.75,-11.21,;-6.35,-9.72,;-7.44,-8.63,;-4.86,-9.33,;-4.46,-7.84,;-2.98,-7.44,;-2.58,-5.95,;-1.09,-5.55,;,-6.64,;-.4,-8.13,;-1.89,-8.53,;1.49,-6.24,;2.58,-7.33,;4.06,-6.93,;4.52,-5.43,;3.37,-4.36,;1.89,-4.76,;.8,-3.67,;-.74,-3.67,;-1.22,-2.2,;.03,-1.3,;1.27,-2.2,;3.77,-2.87,;5.11,-2.1,;3.77,-1.33,;5.11,-3.64,;6,-5.03,;7.49,-4.63,;6.4,-6.52,;6.08,-3.5,)|
BDBM262652 NS(=O)(=O)c1c(ccc([C@@H]2CC[C@@H](CC2)C2=NCCN2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,12.15,t:16,(4.86,10.32,;3.53,9.55,;3.53,11.09,;4.86,8.78,;3.13,8.06,;4.27,6.99,;3.82,5.49,;2.33,5.09,;1.25,6.18,;-.24,5.78,;-1.33,6.87,;-2.82,6.47,;-3.22,4.98,;-2.13,3.89,;-.64,4.29,;-4.7,4.58,;-5.95,5.49,;-7.2,4.58,;-6.72,3.12,;-5.18,3.12,;1.64,7.67,;.56,8.76,;-.98,8.76,;-1.46,10.22,;-.21,11.13,;1.03,10.22,;5.76,7.39,;7.25,7.79,;6.16,5.9,;5.84,8.93,)|
BDBM262653 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)C2=NCCN2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:12.15,wD:9.8,t:16,(4.86,10.32,;3.53,9.55,;3.53,11.09,;4.86,8.78,;3.13,8.06,;4.27,6.99,;3.82,5.49,;2.33,5.09,;1.25,6.18,;-.24,5.78,;-1.33,6.87,;-2.82,6.47,;-3.22,4.98,;-2.13,3.89,;-.64,4.29,;-4.7,4.58,;-5.95,5.49,;-7.2,4.58,;-6.72,3.12,;-5.18,3.12,;1.64,7.67,;.56,8.76,;-.98,8.76,;-1.46,10.22,;-.21,11.13,;1.03,10.22,;5.76,7.39,;7.25,7.79,;6.16,5.9,;5.84,8.93,)|
BDBM262654 Nc1ncc(cc1CO)C#Cc1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262740 NCc1ccc(cc1)-c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262741 NC(=N)NCc1ccc(cc1)-c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262742 N[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(5.81,-5.6,;5.81,-4.06,;7.15,-3.29,;7.15,-1.75,;5.81,-.98,;5.81,.56,;4.27,.56,;3.5,-.77,;1.96,-.77,;1.19,.56,;-.35,.56,;-1.12,1.9,;-2.66,1.9,;-3.43,.56,;-2.66,-.77,;-1.12,-.77,;-4.97,.56,;-6.06,1.65,;-7.15,.56,;-6.06,-.53,;1.96,1.9,;1.19,3.23,;-.35,3.23,;-.82,4.69,;.42,5.6,;1.67,4.69,;3.53,1.94,;4.3,3.28,;2.97,4.05,;5.07,4.61,;5.63,2.51,;4.48,-1.75,;4.48,-3.29,)|
BDBM262743 N[C@H]1CC[C@@H](Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(4.94,-6.57,;4.94,-5.03,;3.61,-4.26,;3.61,-2.72,;4.94,-1.95,;4.94,-.41,;3.61,.36,;2.28,-.41,;.94,.36,;.94,1.9,;-.39,2.67,;-.39,4.21,;-1.72,4.98,;-3.06,4.21,;-3.06,2.67,;-1.72,1.9,;-4.39,4.98,;-4.79,6.46,;-6.28,6.06,;-5.88,4.58,;2.28,2.67,;2.28,4.21,;1.03,5.11,;1.51,6.57,;3.05,6.57,;3.52,5.11,;3.66,1.92,;4.99,2.69,;5.76,1.36,;6.33,3.46,;4.22,4.03,;6.28,-2.72,;6.28,-4.26,)|
BDBM262744 NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CNC2)c1-c1nnn[nH]1
BDBM262828 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NCC2CCCN2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(6.62,1.13,;5.29,.36,;6.62,-.41,;6.06,1.69,;3.96,-.41,;3.96,-1.95,;2.62,-2.72,;1.29,-1.95,;1.29,-.41,;-.04,.36,;-1.38,-.41,;-2.71,.36,;-2.71,1.9,;-1.38,2.67,;-.04,1.9,;-4.04,2.67,;-5.38,1.9,;-5.38,.36,;-6.62,-.55,;-6.15,-2.01,;-4.61,-2.01,;-4.13,-.55,;2.62,.36,;2.62,1.9,;1.38,2.8,;1.85,4.26,;3.39,4.26,;3.87,2.8,;5.29,-2.72,;6.62,-1.95,;5.29,-4.26,;6.62,-3.49,)|
BDBM262829 Nc1ccc(CN[C@H]2CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)cn1 |r,wD:7.6,(-5.33,-4.26,;-5.33,-2.72,;-4,-1.95,;-4,-.41,;-5.33,.36,;-5.33,1.9,;-4,2.67,;-2.67,1.9,;-2.67,.36,;-1.33,-.41,;,.36,;,1.9,;-1.33,2.67,;1.33,-.41,;1.33,-1.95,;2.67,-2.72,;4,-1.95,;4,-.41,;2.67,.36,;2.67,1.9,;1.42,2.8,;1.9,4.26,;3.44,4.26,;3.91,2.8,;5.33,.36,;6.67,1.13,;6.67,-.41,;6.1,1.69,;5.33,-2.72,;6.67,-1.95,;5.33,-4.26,;6.67,-3.49,;-6.67,-.41,;-6.67,-1.95,)|
BDBM262830 CC(N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F)C1CCNCC1 |r,wU:6.9,wD:3.2,(-4,,;-4,1.54,;-2.67,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;1.33,1.54,;,2.31,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;5.33,-.77,;4,,;4,1.54,;2.76,2.45,;3.23,3.91,;4.77,3.91,;5.25,2.45,;6.67,,;8,.77,;8,-.77,;7.44,1.33,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,;-5.33,2.31,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-6.67,1.54,)|
BDBM262831 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC[C@@H]3CNCC[C@H]3C2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,24.26,wD:12.15,19.19,(8.67,1.13,;7.34,.36,;8.67,-.41,;8.11,1.69,;6,-.41,;6,-1.95,;4.67,-2.72,;3.33,-1.95,;3.33,-.41,;2,.36,;.67,-.41,;-.67,.36,;-.67,1.9,;.67,2.67,;2,1.9,;-2,2.67,;-3.33,1.9,;-3.33,.36,;-4.67,-.41,;-6,.36,;-7.34,-.41,;-8.67,.36,;-8.67,1.9,;-7.34,2.67,;-6,1.9,;-4.67,2.67,;4.67,.36,;4.67,1.9,;3.42,2.8,;3.9,4.26,;5.44,4.26,;5.91,2.8,;7.34,-2.72,;8.67,-1.95,;7.34,-4.26,;8.67,-3.49,)|
BDBM262911 Nc1nnc(s1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262912 NCCCCN1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262913 NC1(CC1)C1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262914 NC1CCC2CN(CC2C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262915 NC1CCN(C1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262916 NS(=O)(=O)c1c(ccc(N2CCCC(CCCO)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262564 Nc1cnc2cc(ccc2c1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262565 Nc1nc2ccc(cc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262566 Nc1cccn2c(cnc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262567 NS(=O)(=O)c1cccc(-c2cnc3CCCCn23)c1-c1nnn[nH]1
BDBM262568 Nc1ncc2ccc(cc2n1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262569 NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1
BDBM262570 NS(=O)(=O)c1cccc(-c2cccc3scnc23)c1-c1nnn[nH]1
BDBM262655 Nc1ncc(CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)cc1CO
BDBM262656 NCC(CN)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262657 NS(=O)(=O)c1c(ccc(C2CCCc3sc(nc23)C(O)=O)c1-c1nnn[nH]1)C(F)(F)F
BDBM262658 NC1=NCC(CN1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |t:1|
BDBM262659 COCc1cc(CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)cnc1N
BDBM262660 NCc1ncc(CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)cc1N
BDBM262745 NS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2ccc(cc2)C2CNC2)c1-c1nnn[nH]1
BDBM262746 N[C@H]1CC[C@H](CCc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(8.28,-5.8,;6.94,-5.03,;6.94,-3.49,;5.61,-2.72,;4.28,-3.49,;2.94,-2.72,;2.94,-1.18,;1.61,-.41,;.28,-1.18,;-1.06,-.41,;-1.06,1.13,;-2.39,1.9,;-2.39,3.44,;-3.72,4.21,;-5.06,3.44,;-5.06,1.9,;-3.72,1.13,;-6.39,4.21,;-6.79,5.69,;-8.28,5.29,;-7.88,3.81,;.28,1.9,;.28,3.44,;-.97,4.34,;-.49,5.8,;1.05,5.8,;1.52,4.34,;1.66,1.15,;2.99,1.92,;3.76,.59,;4.33,2.69,;2.22,3.26,;4.28,-5.03,;5.61,-5.8,)|
BDBM262747 N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(8.28,-5.8,;6.94,-5.03,;5.61,-5.8,;4.28,-5.03,;4.28,-3.49,;2.94,-2.72,;2.94,-1.18,;1.61,-.41,;.28,-1.18,;-1.06,-.41,;-1.06,1.13,;-2.39,1.9,;-2.39,3.44,;-3.72,4.21,;-5.06,3.44,;-5.06,1.9,;-3.72,1.13,;-6.39,4.21,;-6.79,5.69,;-8.28,5.29,;-7.88,3.81,;.28,1.9,;.28,3.44,;-.97,4.34,;-.49,5.8,;1.05,5.8,;1.52,4.34,;1.66,1.15,;2.99,1.92,;3.76,.59,;4.33,2.69,;2.22,3.26,;5.61,-2.72,;6.94,-3.49,)|
BDBM262748 NC[C@H]1CC[C@H](Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,wD:2.1,(6.28,-6.96,;4.94,-6.19,;4.94,-4.65,;6.28,-3.88,;6.28,-2.34,;4.94,-1.57,;4.94,-.03,;3.61,.74,;2.28,-.03,;.94,.74,;.94,2.28,;-.39,3.05,;-.39,4.59,;-1.72,5.36,;-3.06,4.59,;-3.06,3.05,;-1.72,2.28,;-4.39,5.36,;-4.79,6.85,;-6.28,6.45,;-5.88,4.96,;2.28,3.05,;2.28,4.59,;1.03,5.5,;1.51,6.96,;3.05,6.96,;3.52,5.5,;3.66,2.31,;4.99,3.08,;5.76,1.74,;6.33,3.85,;4.22,4.41,;3.61,-2.34,;3.61,-3.88,)|
BDBM262832 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC3(C2)CCNCC3)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(8.28,1.13,;6.94,.36,;8.28,-.41,;7.71,1.69,;5.61,-.41,;5.61,-1.95,;4.28,-2.72,;2.94,-1.95,;2.94,-.41,;1.61,.36,;.28,-.41,;-1.06,.36,;-1.06,1.9,;.28,2.67,;1.61,1.9,;-2.39,2.67,;-3.72,1.9,;-5.21,2.29,;-5.61,.81,;-4.12,.41,;-6.94,1.58,;-8.28,.81,;-8.28,-.73,;-6.94,-1.5,;-5.61,-.73,;4.28,.36,;4.28,1.9,;3.03,2.8,;3.51,4.26,;5.05,4.26,;5.52,2.8,;6.94,-2.72,;8.28,-1.95,;6.94,-4.26,;8.28,-3.49,)|
BDBM262833 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC3CNCCN3C2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(8.38,1.13,;7.04,.36,;8.38,-.41,;7.81,1.69,;5.71,-.41,;5.71,-1.95,;4.37,-2.72,;3.04,-1.95,;3.04,-.41,;1.71,.36,;.37,-.41,;-.96,.36,;-.96,1.9,;.37,2.67,;1.71,1.9,;-2.29,2.67,;-3.63,1.9,;-3.79,.36,;-5.3,.04,;-6.07,-1.29,;-7.61,-1.29,;-8.38,.04,;-7.61,1.38,;-6.07,1.38,;-5.03,2.52,;4.37,.36,;4.37,1.9,;3.13,2.8,;3.6,4.26,;5.14,4.26,;5.62,2.8,;7.04,-2.72,;8.38,-1.95,;7.04,-4.26,;8.38,-3.49,)|
BDBM262834 NC1CCCC(C1)N[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wD:8.8,(-6,-1.95,;-6,-.41,;-7.34,.36,;-7.34,1.9,;-6,2.67,;-4.67,1.9,;-4.67,.36,;-3.33,2.67,;-2,1.9,;-2,.36,;-.67,-.41,;.67,.36,;.67,1.9,;-.67,2.67,;2,-.41,;2,-1.95,;3.33,-2.72,;4.67,-1.95,;4.67,-.41,;3.33,.36,;3.33,1.9,;2.09,2.8,;2.56,4.26,;4.1,4.26,;4.58,2.8,;6,.36,;7.34,1.13,;7.34,-.41,;6.77,1.69,;6,-2.72,;7.34,-1.95,;6,-4.26,;7.34,-3.49,)|
BDBM262835 CC(CCCN)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:10.13,wD:7.6,(-3.33,.36,;-3.33,1.9,;-4.67,2.67,;-6,1.9,;-7.34,2.67,;-8.67,1.9,;-2,2.67,;-.67,1.9,;-.67,.36,;.67,-.41,;2,.36,;2,1.9,;.67,2.67,;3.33,-.41,;3.33,-1.95,;4.67,-2.72,;6,-1.95,;6,-.41,;4.67,.36,;4.67,1.9,;3.42,2.8,;3.9,4.26,;5.44,4.26,;5.91,2.8,;7.34,.36,;8.67,1.13,;8.67,-.41,;8.11,1.69,;7.34,-2.72,;8.67,-1.95,;7.34,-4.26,;8.67,-3.49,)|
BDBM262917 NS(=O)(=O)c1c(ccc(N2CCC(C2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262918 NS(=O)(=O)c1c(ccc(N2CCC3(C2)CCNCC3)c1-c1nnn[nH]1)C(F)(F)F
BDBM262919 NS(=O)(=O)c1c(ccc(N2CCCC3(CCNCC3)C2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262920 NS(=O)(=O)c1c(ccc(N2CC[C@H]3NCCO[C@@H]3C2)c1-c1nnn[nH]1)C(F)(F)F |r|
BDBM262921 NS(=O)(=O)c1c(ccc(N2CCC(C2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262922 NS(=O)(=O)c1c(ccc(N2CCC3(CCNC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262572 Nc1ncc(s1)-c1ccc(Br)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262573 NS(=O)(=O)c1c(Br)ccc(-c2ccc(CNC=N)cc2)c1-c1nn[nH]n1
BDBM262575 Nc1ccc(CCc2cccc(c2-c2nn[nH]n2)S(N)(=O)=O)cn1
BDBM262576 Nc1nc2cccc(-c3cccc(c3-c3nn[nH]n3)S(N)(=O)=O)c2[nH]1
BDBM262661 NS(=O)(=O)c1c(ccc(-c2cccc3[n+]([O-])cccc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262662 NS(=O)(=O)c1c(ccc(-c2cccc3cnccc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262663 NS(=O)(=O)c1c(ccc(-c2cccc3c[n+]([O-])ccc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262664 NS(=O)(=O)c1c(ccc(-c2cccc3CNCCc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262665 NS(=O)(=O)c1c(ccc(-c2cccc3NCCCc23)c1-c1nnn[nH]1)C(F)(F)F
BDBM262666 NS(=O)(=O)c1cccc(C2CCCc3ncccc23)c1-c1nn[nH]n1
BDBM262749 NC[C@H]1CC[C@@H](Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:5.5,2.1,(6.28,-6.96,;4.94,-6.19,;4.94,-4.65,;3.61,-3.88,;3.61,-2.34,;4.94,-1.57,;4.94,-.03,;3.61,.74,;2.28,-.03,;.94,.74,;.94,2.28,;-.39,3.05,;-.39,4.59,;-1.72,5.36,;-3.06,4.59,;-3.06,3.05,;-1.72,2.28,;-4.39,5.36,;-4.79,6.85,;-6.28,6.45,;-5.88,4.96,;2.28,3.05,;2.28,4.59,;1.03,5.5,;1.51,6.96,;3.05,6.96,;3.52,5.5,;3.66,2.31,;4.99,3.08,;5.76,1.74,;6.33,3.85,;4.22,4.41,;6.28,-2.34,;6.28,-3.88,)|
BDBM262750 NC(=N)N1CC(C1)c1ccc(cc1)-c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262751 NC(=N)N1CCC(Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
BDBM262752 C[N]1(C)CCC(Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(5.73,-5.19,;4.96,-3.85,;6.5,-3.85,;3.42,-3.85,;2.65,-2.52,;3.42,-1.18,;2.65,.15,;1.11,.15,;.34,-1.18,;-1.2,-1.18,;-1.97,.15,;-3.51,.15,;-4.28,1.48,;-5.82,1.48,;-6.59,.15,;-5.82,-1.18,;-4.28,-1.18,;-8.13,.15,;-9.22,1.24,;-10.31,.15,;-9.22,-.94,;-1.2,1.48,;-1.97,2.82,;-1.49,4.28,;-2.74,5.19,;-3.98,4.28,;-3.51,2.82,;.34,1.48,;1.11,2.82,;2.45,2.05,;1.88,4.15,;-.22,3.59,;4.96,-1.18,;5.73,-2.52,)|
BDBM262753 NCCN1CCC(Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
BDBM262836 NS(=O)(=O)c1c(ccc(C2CC[C@@H](CC2)NC2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F |r,wD:12.15,(8.67,1.13,;7.34,.36,;8.67,-.41,;8.11,1.69,;6,-.41,;6,-1.95,;4.67,-2.72,;3.33,-1.95,;3.33,-.41,;2,.36,;.67,-.41,;-.67,.36,;-.67,1.9,;.67,2.67,;2,1.9,;-2,2.67,;-3.33,1.9,;-4.67,2.67,;-6,1.9,;-6,.36,;-7.34,1.13,;-8.67,.36,;-8.67,-1.18,;-7.34,-1.95,;-6,-1.18,;-4.67,-.41,;-3.33,.36,;4.67,.36,;4.67,1.9,;3.42,2.8,;3.9,4.26,;5.44,4.26,;5.91,2.8,;7.34,-2.72,;8.67,-1.95,;7.34,-4.26,;8.67,-3.49,)|
BDBM262837 NC1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:11.15,wD:8.8,(-8,-.41,;-6.67,.36,;-6.67,1.9,;-5.33,2.67,;-4,1.9,;-4,.36,;-5.33,-.41,;-2.67,2.67,;-1.33,1.9,;-1.33,.36,;,-.41,;1.33,.36,;1.33,1.9,;,2.67,;2.67,-.41,;2.67,-1.95,;4,-2.72,;5.33,-1.95,;5.33,-.41,;4,.36,;4,1.9,;2.76,2.8,;3.23,4.26,;4.77,4.26,;5.25,2.8,;6.67,.36,;8,1.13,;8,-.41,;7.44,1.69,;6.67,-2.72,;8,-1.95,;6.67,-4.26,;8,-3.49,)|
BDBM262839 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC[C@H]3NCC[C@@H]23)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,19.20,23.23,(7.19,1.13,;5.85,.36,;7.19,-.41,;6.62,1.69,;4.52,-.41,;4.52,-1.95,;3.19,-2.72,;1.85,-1.95,;1.85,-.41,;.52,.36,;-.82,-.41,;-2.15,.36,;-2.15,1.9,;-.82,2.67,;.52,1.9,;-3.48,2.67,;-4.82,1.9,;-6.28,2.37,;-7.19,1.13,;-6.28,-.12,;-6.28,-1.66,;-4.82,-2.14,;-3.91,-.89,;-4.82,.36,;3.19,.36,;3.19,1.9,;1.94,2.8,;2.42,4.26,;3.96,4.26,;4.43,2.8,;5.85,-2.72,;7.19,-1.95,;5.85,-4.26,;7.19,-3.49,)|
BDBM262923 NS(=O)(=O)c1c(ccc(N2CCC3(CCCNC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262924 NS(=O)(=O)c1c(ccc(NC2(CC2)C2CCNC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262925 CC(C)(C)c1ccc(N2CCC(N)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM262926 NS(=O)(=O)c1c(ccc(N2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262927 NS(=O)(=O)c1c(ccc(N2CCC(CC2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262578 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCNCC2)c1-c1nn[nH]n1)-c1ccc(cc1)C1CCNCC1
BDBM262579 N[C@H]1CC[C@H](CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)CC1 |r,wU:4.4,wD:1.0,(-7.31,-8.49,;-5.78,-8.49,;-5,-9.83,;-3.47,-9.83,;-2.69,-8.49,;-1.15,-8.49,;-.38,-7.16,;1.15,-7.16,;1.93,-8.49,;3.47,-8.49,;4.33,-7.19,;3.47,-5.82,;1.93,-5.82,;1.15,-4.49,;-.38,-4.49,;-.86,-3.03,;.38,-2.12,;1.63,-3.03,;4.23,-4.49,;5.72,-4.89,;3.15,-3.4,;4.63,-3,;5.87,-7.21,;7.41,-7.22,;5.85,-8.75,;5.88,-5.67,;-3.47,-7.16,;-5,-7.16,)|
BDBM262580 N[C@H]1CC[C@@H](CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)CC1 |r,wU:4.4,1.0,(-7.31,-8.49,;-5.78,-8.49,;-5,-7.16,;-3.47,-7.16,;-2.69,-8.49,;-1.15,-8.49,;-.38,-7.16,;1.15,-7.16,;1.93,-8.49,;3.47,-8.49,;4.33,-7.19,;3.47,-5.82,;1.93,-5.82,;1.15,-4.49,;-.38,-4.49,;-.86,-3.03,;.38,-2.12,;1.63,-3.03,;4.23,-4.49,;5.72,-4.89,;3.15,-3.4,;4.63,-3,;5.87,-7.21,;7.41,-7.22,;5.85,-8.75,;5.88,-5.67,;-3.47,-9.83,;-5,-9.83,)|
BDBM262581 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CNC2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262582 NC(=N)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262583 C[N]1(C)CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F |(-8.02,-1.75,;-6.48,-1.75,;-7.25,-.41,;-5.39,-.66,;-4.3,-1.75,;-5.39,-2.84,;-2.76,-1.75,;-1.99,-.41,;-.45,-.41,;.32,-1.75,;-.45,-3.08,;-1.99,-3.08,;1.86,-1.75,;2.63,-3.08,;4.17,-3.08,;4.99,-1.75,;4.17,-.41,;2.63,-.41,;1.86,.92,;.32,.92,;-.16,2.38,;1.09,3.29,;2.33,2.38,;4.94,.92,;6.43,.52,;3.85,2.01,;5.34,2.41,;6.53,-1.75,;8.07,-1.75,;6.53,-3.29,;6.53,-.21,)|
BDBM262667 C[N+]1(C)CCc2c(C1)cccc2-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262668 NS(=O)(=O)c1cccc(-c2cccc3C(=O)COc23)c1-c1nn[nH]n1
BDBM262669 NS(=O)(=O)c1cccc(-c2cccc3ccoc23)c1-c1nn[nH]n1
BDBM262670 Nc1cc(cnc1N)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262671 NC(=N)NC1CCC(CCc2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)C(F)(F)F)CC1 |(-8,2.56,;-6.67,1.79,;-6.67,.25,;-5.33,2.56,;-4,1.79,;-2.67,2.56,;-1.33,1.79,;-1.33,.25,;,-.52,;1.33,.25,;2.67,-.52,;2.67,-2.06,;4,-2.83,;5.38,-2.09,;5.33,-.52,;4,.25,;4,1.79,;2.76,2.7,;3.23,4.16,;4.77,4.16,;5.25,2.7,;6.67,.25,;8,1.02,;7.44,-1.08,;5.9,1.59,;6.72,-2.86,;8.05,-3.63,;5.95,-4.19,;7.86,-1.83,;-2.67,-.52,;-4,.25,)|
BDBM262672 NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nn[nH]n1)C(F)(F)F
BDBM262754 NS(=O)(=O)c1c(CC2CCN(CCO)CC2)ccc(-c2ccc(cc2)C2CNC2)c1-c1nn[nH]n1
BDBM262755 NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(cc2)C2CN(CCO)C2)c1-c1nn[nH]n1
BDBM262756 NC(=O)CN1CCC(Cc2ccc(-c3ccc(cc3)C3CNC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
BDBM262757 Nc1nc2ccc(cc2[nH]1)-c1ccc(CC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262758 Nc1nc2cc(ccc2[nH]1)-c1ccc(CC2CNC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262759 Nc1nc2cccc(-c3ccc(CC4CCNCC4)c(c3-c3nn[nH]n3)S(N)(=O)=O)c2[nH]1
BDBM262842 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(7.69,1.13,;6.35,.36,;7.69,-.41,;7.12,1.69,;5.02,-.41,;5.02,-1.95,;3.69,-2.72,;2.35,-1.95,;2.35,-.41,;1.02,.36,;-.31,-.41,;-1.65,.36,;-1.65,1.9,;-.31,2.67,;1.02,1.9,;-2.98,2.67,;-4.31,1.9,;-5.52,2.86,;-7.02,2.51,;-7.69,1.13,;-7.02,-.26,;-5.52,-.61,;-4.31,.36,;3.69,.36,;3.69,1.9,;2.44,2.8,;2.92,4.26,;4.46,4.26,;4.93,2.8,;6.35,-2.72,;7.69,-1.95,;6.35,-4.26,;7.69,-3.49,)|
BDBM262843 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCNC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(7.19,1.13,;5.85,.36,;7.19,-.41,;6.62,1.69,;4.52,-.41,;4.52,-1.95,;3.19,-2.72,;1.85,-1.95,;1.85,-.41,;.52,.36,;-.82,-.41,;-2.15,.36,;-2.15,1.9,;-.82,2.67,;.52,1.9,;-3.48,2.67,;-4.82,1.9,;-4.82,.36,;-6.28,-.12,;-7.19,1.13,;-6.28,2.37,;3.19,.36,;3.19,1.9,;1.94,2.8,;2.42,4.26,;3.96,4.26,;4.43,2.8,;5.85,-2.72,;7.19,-1.95,;5.85,-4.26,;7.19,-3.49,)|
BDBM262930 NS(=O)(=O)c1c(ccc(N2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262931 CN(C)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262932 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262933 NC1CCC(C1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
BDBM262584 NC1(CCNCC1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262585 NC1(CCN(CC1)C=N)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262586 NC(=N)N1CCC(N)(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262587 NCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262588 NC(=N)NCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262589 NS(=O)(=O)c1c(ccc(-c2ccc3CNCc3c2)c1-c1nn[nH]n1)C(F)(F)F
BDBM262673 Nc1cccc2c(cc(nc12)C(O)=O)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262674 NC(=O)c1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
BDBM262675 NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
BDBM262676 NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C1CC1
BDBM262677 NS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
BDBM262678 Nc1nc2c(cccc2s1)-c1ccc(CCO)c(c1-c1nn[nH]n1)S(N)(=O)=O
BDBM262760 NCCCN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262761 CC(C)[C@@H](N)CN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262762 CC(C)[C@H](N)CN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O |r|
BDBM262763 NCCN1CCC(CC1)c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
BDBM262764 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCN(CC3CNC3)CC2)c1-c1nnn[nH]1
BDBM262765 NS(=O)(=O)c1cccc(-c2ccc(cc2)C2CCN(CC3CCNC3)CC2)c1-c1nnn[nH]1
BDBM262844 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(7.34,1.13,;6,.36,;7.34,-.41,;6.77,1.69,;4.67,-.41,;4.67,-1.95,;3.33,-2.72,;2,-1.95,;2,-.41,;.67,.36,;-.67,-.41,;-2,.36,;-2,1.9,;-.67,2.67,;.67,1.9,;-3.33,2.67,;-4.67,1.9,;-6,2.67,;-7.34,1.9,;-7.34,.36,;-6,-.41,;-4.67,.36,;3.33,.36,;3.33,1.9,;2.09,2.8,;2.56,4.26,;4.1,4.26,;4.58,2.8,;6,-2.72,;7.34,-1.95,;6,-4.26,;7.34,-3.49,)|
BDBM262845 NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(7.34,1.13,;6,.36,;7.34,-.41,;6.77,1.69,;4.67,-.41,;4.67,-1.95,;3.33,-2.72,;2,-1.95,;2,-.41,;.67,.36,;-.67,-.41,;-2,.36,;-2,1.9,;-.67,2.67,;.67,1.9,;-3.33,2.67,;-4.67,1.9,;-6,2.67,;-7.34,1.9,;-7.34,.36,;-6,-.41,;-4.67,.36,;3.33,.36,;3.33,1.9,;2.09,2.8,;2.56,4.26,;4.1,4.26,;4.58,2.8,;6,-2.72,;7.34,-1.95,;6,-4.26,;7.34,-3.49,)|
BDBM262847 NCCN[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:7.10,wD:4.3,(-4.67,-.41,;-6,.36,;-6,1.9,;-4.67,2.67,;-3.33,1.9,;-3.33,.36,;-2,-.41,;-.67,.36,;-.67,1.9,;-2,2.67,;.67,-.41,;.67,-1.95,;2,-2.72,;3.33,-1.95,;3.33,-.41,;2,.36,;2,1.9,;.75,2.8,;1.23,4.26,;2.77,4.26,;3.25,2.8,;4.67,.36,;6,1.13,;6,-.41,;5.44,1.69,;4.67,-2.72,;6,-1.95,;4.67,-4.26,;6,-3.49,)|
BDBM262934 NCC1CCC(CC1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-10,5,;-8.67,5.78,;-7.34,5,;-6,5.78,;-4.67,5,;-4.67,3.47,;-6,2.69,;-7.34,3.47,;-3.33,2.69,;-2,3.46,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;.67,.38,;2,1.15,;3.33,.38,;3.33,-1.15,;2,-1.93,;.67,-1.15,;4.67,-1.93,;4.67,-3.47,;6,-4.23,;7.34,-3.47,;7.34,-1.93,;6,-1.15,;6,.38,;4.76,1.29,;5.23,2.75,;6.77,2.75,;7.25,1.29,;8.67,-1.15,;10,-.38,;10,-1.93,;8.67,.38,;8.67,-4.23,;10,-3.47,;8.67,-5.78,;10,-5,)|
BDBM262935 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CC3CCC2N3)c1-c1nnn[nH]1)C(F)(F)F
BDBM262936 NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CCNC2)c1-c1nnn[nH]1)C(F)(F)F
BDBM262937 NC1CC(C1)N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |(-8.95,5.55,;-7.61,4.78,;-6.12,5.18,;-5.73,3.69,;-7.21,3.29,;-4.39,2.92,;-3.06,3.69,;-1.72,2.92,;-1.72,1.38,;-3.06,.61,;-4.39,1.38,;-.39,.61,;.94,1.38,;2.28,.61,;2.28,-.93,;.94,-1.7,;-.39,-.93,;3.61,-1.7,;3.61,-3.24,;4.94,-4.01,;6.28,-3.24,;6.28,-1.7,;4.94,-.93,;4.94,.61,;3.7,1.52,;4.17,2.98,;5.71,2.98,;6.19,1.52,;7.61,-.93,;8.95,-.16,;8.95,-1.7,;7.61,.61,;7.61,-4.01,;8.95,-3.24,;7.61,-5.55,;8.95,-4.78,)|
BDBM262938 NC1CCCC1N1CCC(CC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F