Compound Name

SMILES String

Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCC2)C1 |(4.47,1.16,;4.47,-.38,;3.14,-1.15,;3.14,-2.69,;4.47,-3.46,;5.81,-2.69,;7.27,-3.16,;8.16,-1.92,;7.27,-.68,;7.74,.79,;9.25,1.1,;9.73,2.57,;8.7,3.71,;7.19,3.4,;6.17,4.54,;6.64,6.01,;5.62,7.15,;6.09,8.62,;5.07,9.76,;3.56,9.44,;3.08,7.98,;4.11,6.83,;6.72,1.93,;5.81,-1.15,;7.74,-4.62,;9.12,-5.32,;8.42,-6.69,;8.9,-8.15,;10.41,-8.47,;11.25,-9.76,;12.54,-8.92,;11.7,-7.63,;7.05,-5.99,)|

Cc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1Oc1ccn2ncnc2c1

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|

CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1

COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|

COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1

COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1

COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CC1(O)CC(C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12

CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|

Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

COc1cccc2=C\C(N=c12)=c1\nc(C2CCC(CC2)C(O)=O)n2NC=NC(N)=c12 |c:28,t:6,9,31,(12.9,-6.58,;11.76,-5.55,;10.29,-6.03,;9.98,-7.54,;8.51,-8.02,;7.37,-6.99,;7.68,-5.48,;6.78,-4.24,;7.68,-3,;9.14,-3.47,;9.15,-5,;7.2,-1.54,;8.1,-.3,;7.2,.94,;7.68,2.4,;6.65,3.55,;7.13,5.01,;8.64,5.33,;9.67,4.18,;9.19,2.72,;9.12,6.79,;10.63,7.11,;8.09,7.94,;5.75,.47,;4.41,1.24,;3.08,.47,;3.08,-1.07,;4.41,-1.84,;4.41,-3.38,;5.75,-1.07,)|

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F