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192 SMILES Strings for Lymphocyte differentiation antigen CD38

Compound NameSMILES String
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM23408 Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
BDBM23416 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM50033767 Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM50045936 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
BDBM50049400 OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
BDBM50178766 NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178767 NC(=O)C1CCCc2c1[nH]c1ccccc21
BDBM50178769 NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178773 Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
BDBM50241503 Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1
BDBM50326998 Oc1ccc(cc1)-c1oc2cc(O)cc(=[OH+])c2cc1O
BDBM50326997 Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1cc(O)c(O)c(O)c1
BDBM50347135 OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM50347138 COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
BDBM50347139 Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(=[OH+])c2cc1O
BDBM50347140 COc1cc(ccc1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
BDBM50347141 COc1ccc(cc1O)-c1ccc2c(cc(O)cc2=[OH+])o1
BDBM50347142 COc1cc(cc(O)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
BDBM50347144 Oc1cc2oc(ccc2c(=[OH+])c1)-c1ccc(O)c(O)c1
BDBM50347143 Oc1ccc(cc1O)-c1oc2cc(=[OH+])ccc2cc1O
BDBM50086314 CS(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(7.75,6.76,;6.68,6.14,;6.68,7.38,;7.74,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086315 OC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:3.2,wD:6.9,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086316 OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wD:6.9,3.2,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086317 CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(10.41,5.51,;9.35,6.13,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086318 NC(=O)[C@@H]1CCC[C@H](C1)Nc1ncnc2ccc(cc12)-c1cncs1 |r|
BDBM50086320 OC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |(6.41,5.99,;5.34,5.38,;4.01,6.15,;2.68,5.39,;2.67,3.85,;4,3.07,;5.34,3.84,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086322 C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1 |r|
BDBM50086343 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086346 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(nc2c(C)cc(cc12)-c1cncs1)C(F)(F)F |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,;4,-1.54,;5.06,-.92,;4,-2.77,;5.06,-2.16,)|
BDBM50086347 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(cc(cc12)-c1cncs1)C(F)(F)F |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,;-1.32,-3.08,;-.25,-3.69,;-2.39,-3.7,;-1.32,-4.31,)|
BDBM50086348 CO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086349 COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086351 Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
BDBM50086353 NC(=O)c1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1
BDBM50086355 COc1cc(cc2c(Nc3ccc(cc3)C(N)=O)ncnc12)-c1cncs1
BDBM50086356 COc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
BDBM50086389 COCCNc1ncnc2ccc(cc12)-c1cncs1
BDBM50086390 OCCNc1ncnc2ccc(cc12)-c1cncs1
BDBM50086391 CC(C)(C)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086392 CC(C)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086393 CCNc1ncnc2ccc(cc12)-c1cncs1
BDBM50086394 O=C1CCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:6.6,wD:9.13,(8.31,4.3,;8.07,5.5,;9.1,6.65,;8.33,7.98,;6.82,7.66,;6.68,6.14,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086395 O=C1CCCN1[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wD:9.13,6.6,(8.31,4.3,;8.07,5.5,;9.1,6.65,;8.33,7.98,;6.82,7.66,;6.68,6.14,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086396 C1CNCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086397 C1CC(CCN1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086398 C1COCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086399 C1CC(CCO1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086400 C1CC(CO1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086401 C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086402 N(c1ccccn1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086403 O=C1CCCN1c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086323 C[C@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1 |r|
BDBM50086324 CC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |(6.41,5.99,;5.34,5.38,;4.01,6.15,;2.68,5.39,;2.67,3.85,;4,3.07,;5.34,3.84,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086325 O=S1(=O)CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086326 NC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086327 N(c1cccnc1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086328 N(c1ccncc1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086329 C1CC1Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086331 C1CCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086333 CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.14,;6.69,7.37,;8.01,5.36,;9.08,5.97,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086334 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086335 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086336 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086337 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086404 N(c1ccc(cc1)-n1ccnc1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086405 N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086406 NC(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086407 CS(=O)(=O)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
BDBM50086408 CS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086409 NS(=O)(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086411 Cc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086413 Cc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086414 Fc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086415 Fc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
BDBM50086417 Clc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086418 Clc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
BDBM50086420 Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1Cl
BDBM50086421 N(c1ccccc1)c1ncnc2ccc(cc12)-c1cncs1
BDBM50086422 Fc1ccc(Nc2ccnc3ccc(cc23)-c2cncs2)cc1Cl
BDBM50086423 NC(=O)c1cnc2ccc(cc2c1Nc1ccc(F)c(Cl)c1)-c1cncs1
BDBM50086424 Cc1cc(cc2c(NC3CCOCC3)cc(=O)[nH]c12)-c1cncs1
BDBM50086430 Cc1cc(cc2c(NC3CCOCC3)cc(=O)n(C)c12)-c1cncs1
BDBM50086432 COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086433 COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086434 COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086435 CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.15,;6.68,7.69,;8.02,8.46,;8.02,10,;9.09,10.61,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086436 CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086437 CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086438 CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.69,7.38,;6.68,6.15,;5.35,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.02,6.16,;1.34,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.02,1.54,;-5.41,.92,;-6.43,2.07,;-5.65,3.4,;-4.15,3.07,)|
BDBM50086439 Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1 |r,wU:13.14,wD:10.10,(1.33,-2.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;6.41,5.99,;4.01,6.15,;2.68,5.39,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086440 Cn1c2ccc(cc2c(N)cc1=O)-c1cncs1
BDBM50027369 [H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(N)nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50027370 [H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(N=[N+]=[N-])nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50027371 [H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(cnc4c3=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50027372 [H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(c(Br)nc4c3=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50027373 [H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3cnc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50027374 [H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(Br)nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
BDBM50081938 Cc1occc1C(=O)N\N=C/c1ccc(O)c(O)c1
BDBM50081940 Cc1occc1C(=O)N\N=C/c1ccccc1
BDBM50081942 Cc1occc1C(=O)N\N=C/c1cccc(Cl)c1O
BDBM50081943 Cc1occc1C(=O)N\N=C/c1cccc(F)c1O
BDBM50081944 Cc1occc1C(=O)NNC(=O)c1ccccc1O
BDBM50086321 CC1CCCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086330 C1CC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
BDBM50086332 O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1
BDBM50086350 CO[C@H]1CC[C@@H](CC1)Nc1nc(O)nc2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086354 Fc1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1Cl
BDBM50086319 NC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:3.2,wD:6.9,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50086352 Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
BDBM50086410 FC(F)(F)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
BDBM50086412 Cc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
BDBM50086416 Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086419 Clc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
BDBM50086425 Cn1c2ccc(cc2c(NC2CCOCC2)cc1=O)-c1cncs1
BDBM50086431 COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
BDBM50081939 COc1cc(\C=N/NC(=O)c2ccoc2C)ccc1O
BDBM50081941 Cc1occc1C(=O)N\N=C/c1ccccc1O
BDBM50110918 Cc1cc(NCc2cc(Cl)cc(Cl)c2)c2cccc(C(N)=O)c2n1
BDBM50110920 Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c2n1
BDBM50110922 Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111019 COc1cccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1
BDBM50111126 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(O)=O)c2n1
BDBM50111143 C[C@@H](Nc1cc(C)nc2c(cccc12)C(N)=O)c1ccccc1C |r|
BDBM50111147 Cc1noc(C)c1CNc1cc(C)nc2c(cccc12)C(N)=O
BDBM50111149 Cc1cc(NCc2cccnc2C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111021 Cc1cccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1
BDBM50111023 Cc1cc(NCc2ccccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111145 CC(=O)N1CCC(CNc2cc(C)nc3c(cccc23)C(N)=O)CC1
BDBM50110913 Cc1cc(NCc2ccccc2)c2cccc(C(N)=O)c2n1
BDBM50110915 Cc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1
BDBM50110917 Cc1cc(NCc2cccc(Cl)c2F)c2cccc(C(N)=O)c2n1
BDBM50111011 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
BDBM50111012 Cc1ccc2cccc(C(=O)NNCc3cccc(C)c3C)c2n1
BDBM50111013 Cc1cc(NCc2ccccc2C(N)=O)c2cccc(C(N)=O)c2n1
BDBM50111014 Cc1cc(NCc2ccccc2Br)c2cccc(C(N)=O)c2n1
BDBM50111015 Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111016 COc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)cc1
BDBM50111017 Cc1cc(NCc2ccc(Cl)cc2)c2cccc(C(N)=O)c2n1
BDBM50111018 Cc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)cc1
BDBM50111020 Cc1cc(NCc2cccc(Cl)c2)c2cccc(C(N)=O)c2n1
BDBM50111022 COc1ccccc1CNc1cc(C)nc2c(cccc12)C(N)=O
BDBM50111024 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CO)c2n1
BDBM50111127 COC(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12
BDBM50111128 CN(C)C(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12
BDBM50111129 CNC(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12
BDBM50111130 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(Br)c2n1
BDBM50111131 Cc1cc(NCc2cccc(Cl)c2Cl)c2ccccc2n1
BDBM50111132 Cc1cc(NCc2c(C)cccc2C)c2cc(cc(C(N)=O)c2n1)-c1ccccc1
BDBM50111133 Cc1cc(NCc2c(C)cccc2C)c2cc(Br)cc(C(N)=O)c2n1
BDBM50111134 Cc1cc(C(N)=O)c2nc(C)cc(NCc3c(C)cccc3C)c2c1
BDBM50111135 Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1
BDBM50111136 Cc1cc(SCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111137 Cc1cc(OCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111138 Cc1cc(NC(=O)c2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111139 CN(Cc1c(Cl)cccc1Cl)c1cc(C)nc2c(cccc12)C(N)=O
BDBM50111140 Cc1cc(N[C@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r|
BDBM50111141 Cc1cc(N[C@@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r|
BDBM50111142 C[C@H](Nc1cc(C)nc2c(cccc12)C(N)=O)c1c(C)cccc1C |r|
BDBM50111144 CN1CCC(CNc2cc(C)nc3c(cccc23)C(N)=O)CC1
BDBM50111146 Cc1cc(NCC2CCCCC2)c2cccc(C(N)=O)c2n1
BDBM50111148 Cc1cc(NCc2sccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111150 Cc1cc(NCc2ccncc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111151 Cc1cc(NCc2cnccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111152 Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111153 Cc1cc(NCc2c(F)ccc(C)c2Cl)c2cccc(C(N)=O)c2n1
BDBM50111158 Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
BDBM50111170 Cc1cc(NCc2c(Cl)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1
BDBM50111177 Cc1cc(NCc2c(F)ccc(F)c2Cl)c2cccc(C(N)=O)c2n1
BDBM50111194 Cc1cc(NCc2c(F)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1
BDBM50111203 Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
BDBM50111218 Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111262 Cc1cc(NCc2c(C)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111263 Cc1cc(NCc2c(F)cccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50111264 Cc1cc(NCc2c(F)cccc2F)c2cccc(C(N)=O)c2n1
BDBM50111265 Cc1cc(NCc2cccc3ccccc23)c2cccc(C(N)=O)c2n1
BDBM50111266 Cc1cc(NCc2cccc(c2F)C(F)(F)F)c2cccc(C(N)=O)c2n1
BDBM50111267 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(c2n1)S(N)(=O)=O
BDBM50111359 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C#N)c2n1
BDBM50111360 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CN)c2n1
BDBM50110912 Cc1cc(NCc2ccccc2C)c2cccc(C(N)=O)c2n1
BDBM50110919 Cc1cc(C)cc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1
BDBM50110921 Cc1cc(NCc2ccc(C)c(C)c2)c2cccc(C(N)=O)c2n1
BDBM50110943 Cc1cc(NCc2cc(Cl)ccc2Cl)c2cccc(C(N)=O)c2n1
BDBM50110963 Cc1ccc(C)c(CNc2cc(C)nc3c(cccc23)C(N)=O)c1
BDBM50110970 Cc1cc(NCc2ccc(Cl)cc2Cl)c2cccc(C(N)=O)c2n1
BDBM50110997 Cc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c(C)c1
BDBM50110914 Cc1cc(N)c2cccc(C(N)=O)c2n1
BDBM50110916 Cc1cc(NCc2cccc(Cl)c2C)c2cccc(C(N)=O)c2n1