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86 SMILES Strings for ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1

Compound NameSMILES String
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
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,)|
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