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17 SMILES Strings for itk

Compound NameSMILES String
BDBM295011 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
BDBM295012 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)S(=O)(=O)C=C |r|
BDBM295013 CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295014 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
BDBM295015 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
BDBM295017 C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295018 CC(C)\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295019 COC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295020 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C\C=C\C(O)=O)C1 |r|
BDBM295021 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C/C(O)=O |r|
BDBM295022 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CBr |r|
BDBM295023 CC(=O)OC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295024 CS(=O)(=O)NC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295025 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CO |r|
BDBM295026 CC#CC(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
BDBM295027 NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C#C |r|
BDBM295028 CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r,wU:9.12,6.5,(5.24,-4.53,;4.15,-5.62,;3.06,-6.7,;1.97,-7.79,;2.37,-9.28,;.49,-7.4,;.09,-5.91,;-1.4,-5.51,;-1.8,-4.02,;-.71,-2.93,;.78,-3.33,;1.18,-4.82,;-1.11,-1.45,;-.2,-.2,;-1.11,1.05,;-2.57,.57,;-3.91,1.34,;-3.91,2.88,;-5.24,.57,;-2.57,-.97,;-3.91,-1.74,;-.71,2.53,;.78,2.93,;1.18,4.42,;.09,5.51,;.49,7,;1.97,7.4,;3.06,6.31,;4.55,6.7,;4.95,8.19,;3.86,9.28,;2.37,8.88,;-1.4,5.11,;-1.8,3.62,)|