307 SMILES Strings for Calcium-dependent protein kinase 1

Compound Name
SMILES String
CC(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CC(=O)N1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CC(C)(C)C(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:33.35,wD:36.39,(6.54,-5.71,;5.21,-6.47,;5.98,-7.8,;3.88,-7.24,;4.44,-5.14,;2.9,-5.14,;2.13,-3.81,;2.9,-2.47,;4.44,-2.47,;5.21,-3.81,;2.13,-1.14,;3.04,.11,;2.13,1.35,;.67,.88,;-.67,1.65,;-.66,3.18,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.8,;6.01,5.49,;6,3.96,;7.33,3.19,;8.67,3.96,;8.67,5.5,;7.33,6.27,;-2,.87,;-2,-.66,;-3.33,-1.44,;-4.67,-.66,;-6,-1.43,;-7.34,-.66,;-7.34,.88,;-8.67,1.64,;-6,1.65,;-4.67,.88,;-.66,-1.44,;.67,-.66,)|
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
CC(C)(C)n1cc(C(N)=O)c(n1)-c1ccc2c(N)n[nH]c2c1
CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCC3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)CCl)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2n1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ncccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2oc(=O)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(Cl)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OCC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(ccc2c1)C(F)(F)F
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2ccccc2c1
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
CC(C)C(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CC(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CC(C)Oc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)c1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)c1nc(-c2ccc3ccccc3c2)c2c(N)nccn12
CC(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3ccccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OC(C)c4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(C)ccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(ccc4C)C(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(CC(F)(F)F)c(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(cc4)C(C)(C)C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4Cl)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccncc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3n(C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(Cc3ccccc3)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(OCc3ccccc3Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(c2)-c2ccccc2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(c2)C(C)=O)c2c(N)ncnc12
CC(C)n1nc(-c2cccc3c4ccccc4sc23)c2c(N)ncnc12
CC(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)n1nc(-c2cccnc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccnc(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cncnc2)c2c(N)ncnc12
CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1
CCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:32.34,wD:35.38,(7.51,-5.81,;6.75,-7.14,;5.21,-7.14,;4.44,-5.81,;2.9,-5.81,;2.13,-4.47,;2.9,-3.14,;4.44,-3.14,;5.21,-4.47,;2.13,-1.81,;3.03,-.56,;2.13,.69,;.67,.21,;-.67,.98,;-.67,2.52,;.67,3.29,;2,2.52,;3.33,3.29,;3.33,4.83,;2,5.6,;.67,4.83,;4.67,5.6,;4.67,7.14,;6,4.83,;6,3.29,;7.33,2.52,;8.67,3.29,;8.67,4.83,;7.33,5.6,;-2,.21,;-2,-1.33,;-3.33,-2.1,;-4.67,-1.33,;-6,-2.1,;-7.34,-1.33,;-7.34,.21,;-8.67,.98,;-6,.98,;-4.67,.21,;-.67,-2.1,;.67,-1.33,)|
CCOc1ccc2cc(ccc2c1)-c1nc(C(C)C)n2ccnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCOC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(cnc2c1)-c1n[nH]c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C(C)C)C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(CO)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCOC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCOCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CCO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CCOC)c(N)c1C(=O)NCCOC
CCOc1ccc2cc(cnc2c1)-c1nn(CCOC)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C1(C)CCCCC1
CCOc1ccc2cc(cnc2c1)-c1nn2CC(=O)Nc2c1C(N)=O
CCOc1ccc2nc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2ncc(cc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2ncc(cc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)c1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCC(CC1)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CN1CCC(Cn2nc(c(C(N)=O)c2N)-c2ccc3ccccc3c2)CC1
CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(COc2cccc(c2)-c2nn(C(C)C)c3ncnc(N)c23)cc(OC)c1
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ccccc2cc1-c1nn(C(C)C)c2ncnc(N)c12
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1OC(C)C)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1OC)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2[nH]c(cc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O
COc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CS(=O)(=O)N1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
CSc1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)C(=O)c1c(N)c(C(N)=O)c2ccccn12
Cc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc2cc(ccc2n1C)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cc1oc2ccccc2c1-c1nn(c(N)c1C(N)=O)C(C)(C)C |(11.39,-24.88,;11.4,-23.35,;9.87,-23.19,;9.54,-21.69,;8.22,-20.93,;8.21,-19.4,;9.54,-18.62,;10.87,-19.38,;10.87,-20.92,;12.01,-21.95,;13.52,-21.63,;13.74,-20.09,;15.26,-19.82,;15.99,-21.19,;17.52,-21.4,;14.92,-22.31,;15.19,-23.82,;14.01,-24.82,;16.64,-24.35,;15.94,-18.43,;15.07,-17.17,;17.47,-18.32,;16.69,-17.09,)|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(c1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(NCCc3cnc[nH]3)nc12
Cn1c(N)nc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2ccc(cc2[nH]c1=O)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1ccc2cc(ccc12)-c1nc(n2ccnc(N)c12)C(C)(C)C
Cn1ccc2cc(ccc12)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Cn1nc(N)c2ccc(cc12)-c1nn(cc1C(N)=O)C(C)(C)C
Cn1ncc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCCN2CCSCC2)n1)C1CCNCC1
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
NC(=O)Cn1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CCNCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CCO)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(nc1-c1ccc2ccccc2c1)C1CCCCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCCCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCCCC1
NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1 |(7.08,8.91,;7.08,7.37,;8.41,6.6,;8.41,5.06,;7.08,4.29,;5.75,5.06,;5.75,6.6,;7.08,2.75,;8.41,1.98,;8.41,.44,;9.75,-.33,;9.75,-1.87,;8.41,-2.64,;8.41,-4.18,;7.08,-4.95,;5.75,-4.18,;5.75,-2.64,;7.08,-1.87,;4.41,-4.95,;3.08,-4.18,;4.41,-6.49,;3.08,-7.26,;3.08,-8.8,;4.41,-9.57,;5.75,-8.8,;5.75,-7.26,;11.08,.44,;12.54,-.03,;13.44,1.21,;12.54,2.45,;13.02,3.91,;11.99,5.06,;12.47,6.52,;13.97,6.84,;15,5.69,;16.51,6.01,;16.99,7.47,;18.5,7.79,;18.97,9.25,;20.48,9.57,;21.51,8.43,;21.03,6.96,;19.52,6.64,;14.52,4.23,;11.08,1.98,;9.75,2.75,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(-c3ccccc3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.08,;-7.34,.31,;-7.34,-1.23,;-6,-2,;-4.67,-1.23,;-4.67,.31,;-6,1.08,;-3.33,-2,;-2,-1.23,;-2,.31,;-.67,1.08,;-.67,2.62,;.67,3.39,;2,2.62,;3.33,3.39,;3.33,4.93,;4.67,5.7,;6,4.93,;6,3.39,;7.34,2.62,;8.67,3.39,;8.67,4.93,;7.34,5.7,;2,5.7,;.67,4.93,;.67,.31,;2.13,.79,;3.04,-.46,;2.13,-1.7,;2.9,-3.04,;2.13,-4.37,;2.9,-5.7,;4.44,-5.7,;5.21,-4.37,;4.44,-3.04,;.67,-1.23,;-.67,-2,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc(cc3)C(O)=O)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.65,;-7.34,.88,;-7.34,-.66,;-6,-1.43,;-4.67,-.66,;-4.67,.88,;-6,1.65,;-3.33,-1.43,;-2,-.66,;-2,.88,;-.67,1.65,;-.67,3.19,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.81,;6,5.5,;6,3.96,;7.34,3.19,;8.67,3.96,;8.67,5.5,;7.34,6.27,;.67,.88,;2.13,1.35,;3.04,.11,;2.13,-1.14,;2.9,-2.47,;2.13,-3.81,;2.9,-5.14,;4.44,-5.14,;5.21,-3.81,;4.44,-2.47,;5.21,-6.47,;4.44,-7.81,;6.75,-6.47,;.67,-.66,;-.67,-1.43,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc4OCOc4c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.89,;-7.34,.12,;-7.34,-1.42,;-6,-2.19,;-4.67,-1.42,;-4.67,.12,;-6,.89,;-3.33,-2.19,;-2,-1.42,;-2,.12,;-.67,.89,;-.67,2.43,;.67,3.2,;2,2.43,;3.33,3.2,;3.33,4.74,;2,5.51,;.67,4.74,;4.67,5.51,;4.67,7.05,;6,4.74,;6,3.2,;7.34,2.43,;8.67,3.2,;8.67,4.74,;7.34,5.51,;.67,.12,;2.13,.59,;3.04,-.65,;2.13,-1.9,;2.9,-3.23,;2.13,-4.57,;2.9,-5.9,;4.44,-5.9,;5.47,-7.05,;6.88,-6.42,;6.72,-4.89,;5.21,-4.57,;4.44,-3.23,;.67,-1.42,;-.67,-2.19,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(c3)C(O)=O)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;4.44,-3.81,;6.75,-5.14,;7.84,-6.23,;7.52,-3.81,;.67,-2,;-.67,-2.77,)|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1ncnc2n(CC#C)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc(Cl)cc3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CCC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(Cc3c[nH]cn3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(Cc3ccccc3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCCCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCNCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCOCC1
O=C(N1CCCCC1)c1ccc(Nc2nc(NCCCN3CCOCC3)nc3n(cnc23)-c2ccccc2)cc1
O=C(N1CCCCC1)c1ccc(Nc2nc(Nc3cnc4ccccc4c3)nc3n(cnc23)-c2ccccc2)cc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4