EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C(=O)NC3=CC=CC=C3Cl)C(=O)O
InChI: InChI=1S/C14H14ClNO4/c15-7-3-1-2-4-8(7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-4,9-12H,5-6H2,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m0/s1
SMILES: C[C@@H]1C[C@@](C[C@H]1C[Si](C)(C)C2=CC=CC=C2)(C(=O)OC)S(=O)(=O)C
InChI: InChI=1S/C18H28O4SSi/c1-14-11-18(17(19)22-2,23(3,20)21)12-15(14)13-24(4,5)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+,18-/m1/s1
SMILES: CC12[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)OC)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI: InChI=1S/C27H23NO3/c1-26-18-11-4-6-13-20(18)27(2,21-14-7-5-12-19(21)26)23-22(26)24(29)28(25(23)30)16-9-8-10-17(15-16)31-3/h4-15,22-23H,1-3H3/t22-,23-,26?,27?/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CO4
InChI: InChI=1S/C22H26N4O4/c1-2-29-21(28)18-19(17-9-6-14-30-17)23-22(24-20(18)27)26-12-10-25(11-13-26)15-16-7-4-3-5-8-16/h3-9,14,18-19H,2,10-13,15H2,1H3,(H,23,24,27)/p+1/t18-,19-/m1/s1
SMILES: C[C@H]1CC(CCC[C@@H]([C@H](OC(=O)C(CC(C[C@H]([C@H]1O)C)C)OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)C3=CC=CC=C3)OC)O)OC)C
InChI: InChI=1S/C43H72O10/c1-25(2)39-30(7)36(51-41(46)33-18-14-13-15-19-33)24-43(50-12,53-39)32(9)38(45)31(8)40-34(48-10)20-16-17-26(3)21-28(5)37(44)29(6)22-27(4)23-35(49-11)42(47)52-40/h13-15,18-19,25-32,34-40,44-45H,16-17,20-24H2,1-12H3/t26?,27?,28-,29+,30-,31-,32-,34-,35?,36+,37-,38+,39+,40+,43+/m0/s1
SMILES: C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@H]3[C@]4([C@H](O4)C[C@@H]([C@@]3([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C26H33ClO10/c1-11-8-9-16(33-13(3)28)24(6)17(34-14(4)29)10-18-25(7,37-18)20(24)22(35-15(5)30)26(32)12(2)23(31)36-21(26)19(11)27/h8-9,12,16-22,32H,1,10H2,2-7H3/b9-8-/t12-,16-,17-,18+,19-,20+,21-,22-,24-,25+,26-/m0/s1
SMILES: C1CCN(CC1)[C@H]2[C@@H](S(=O)(=O)OC3=C2CCCC3)C4=CC=CC=C4
InChI: InChI=1S/C19H25NO3S/c21-24(22)19(15-9-3-1-4-10-15)18(20-13-7-2-8-14-20)16-11-5-6-12-17(16)23-24/h1,3-4,9-10,18-19H,2,5-8,11-14H2/t18-,19+/m1/s1
SMILES: CC(=CCC[C@@]1([C@@](N(C(=O)O1)CCNC(=O)C2=CC=NN2C)(C)O)C)C
InChI: InChI=1S/C18H28N4O4/c1-13(2)7-6-9-17(3)18(4,25)22(16(24)26-17)12-11-19-15(23)14-8-10-20-21(14)5/h7-8,10,25H,6,9,11-12H2,1-5H3,(H,19,23)/t17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3
InChI: InChI=1S/C21H25N3O4/c1-13-5-2-3-6-16(13)23-19(25)12-28-21(27)14-8-9-15-17(11-14)22-18-7-4-10-24(18)20(15)26/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,23,25)/t13-,16+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)NC[C@@H]3[C@H]([C@@H]([C@H](N3)CO)O)O
InChI: InChI=1S/C16H19N3O5/c20-7-12-15(23)14(22)11(19-12)6-17-16(24)10-5-13(21)8-3-1-2-4-9(8)18-10/h1-5,11-12,14-15,19-20,22-23H,6-7H2,(H,17,24)(H,18,21)/t11-,12-,14-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NN=NN5C6=CC=CC=C6
InChI: InChI=1S/C26H21N5O2S2/c1-17-13-15-20(16-14-17)35(32,33)28-24-21-11-5-7-18-8-6-12-22(23(18)21)25(24)34-26-27-29-30-31(26)19-9-3-2-4-10-19/h2-16,24-25,28H,1H3/t24-,25-/m1/s1
SMILES: CCC=CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H28Cl2N2O5/c1-2-3-8-23(33)31(15-16-9-10-19(28)20(29)13-16)21-14-18(27(35)30-11-12-32)24-17-6-4-5-7-22(17)36-26(24)25(21)34/h3-10,13-14,21,24-26,32,34H,2,11-12,15H2,1H3,(H,30,35)/t21-,24+,25+,26+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C=O)OCOCC[Si](C)(C)C
InChI: InChI=1S/C16H31NO5Si/c1-16(2,3)22-15(19)17-8-7-14(13(17)11-18)21-12-20-9-10-23(4,5)6/h11,13-14H,7-10,12H2,1-6H3/t13-,14-/m0/s1
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N[C@H]3CCCC[C@H]3C
InChI: InChI=1S/C19H25N3O2/c1-4-22-11-15(17(23)14-10-9-13(3)20-18(14)22)19(24)21-16-8-6-5-7-12(16)2/h9-12,16H,4-8H2,1-3H3,(H,21,24)/t12-,16+/m1/s1
SMILES: C1[C@H]2C[C@@H]([C@H]1C3=CN=C(C=C3)Cl)N4N2C(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C18H15ClN4O2/c19-16-7-6-11(10-20-16)14-8-13-9-15(14)23-18(25)21(17(24)22(13)23)12-4-2-1-3-5-12/h1-7,10,13-15H,8-9H2/t13-,14+,15-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)CC(=O)N3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C23H33FN4O2/c24-20-5-7-21(8-6-20)25-22(29)16-26-11-13-28(14-12-26)23(30)17-27-10-9-18-3-1-2-4-19(18)15-27/h5-8,18-19H,1-4,9-17H2,(H,25,29)/t18-,19+/m0/s1
SMILES: CC1(O[C@H]2[C@H](C=C[C@]2(O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OS(=O)(=O)C)C
InChI: InChI=1S/C29H30O6S/c1-27(2)33-26-25(34-36(3,30)31)19-20-28(26,35-27)21-32-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25-26H,21H2,1-3H3/t25-,26-,28-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCN(CC5)CC6=CC=CC=C6
InChI: InChI=1S/C42H50N4O6/c1-3-50-39(48)26-44-42(49)43-25-33-11-7-12-35(23-33)36-13-8-14-37(24-36)41-51-38(30(2)40(52-41)34-17-15-32(29-47)16-18-34)28-46-21-19-45(20-22-46)27-31-9-5-4-6-10-31/h4-18,23-24,30,38,40-41,47H,3,19-22,25-29H2,1-2H3,(H2,43,44,49)/t30-,38+,40+,41+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C33H40O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-26,28,37,40H,13-15H2,1-7H3/t21-,22+,23+,25+,26-,28-,31+,32-,33+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)OC)OC(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C14H18O5/c1-9-13(15)11(8-12(17-2)18-9)19-14(16)10-6-4-3-5-7-10/h3-7,9,11-13,15H,8H2,1-2H3/t9-,11+,12+,13-/m1/s1
SMILES: CC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H]3[C@H](C[C@@H]4C[C@H]3C4(C)C)C/C=C/CCCC(=O)O
InChI: InChI=1S/C28H36N2O5S/c1-19-9-8-16-30(19)36(34,35)23-14-12-20(13-15-23)27(33)29-26-21(10-6-4-5-7-11-25(31)32)17-22-18-24(26)28(22,2)3/h4,6,8-9,12-16,21-22,24,26H,5,7,10-11,17-18H2,1-3H3,(H,29,33)(H,31,32)/b6-4+/t21-,22+,24+,26+/m0/s1
SMILES: C[C@@H](C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C60H66O12/c1-4-43(2)69-60-57(67-40-50-33-21-10-22-34-50)55(65-38-48-29-17-8-18-30-48)54(64-37-47-27-15-7-16-28-47)52(72-60)42-68-59-58(70-44(3)61)56(66-39-49-31-19-9-20-32-49)53(63-36-46-25-13-6-14-26-46)51(71-59)41-62-35-45-23-11-5-12-24-45/h4-34,43,51-60H,1,35-42H2,2-3H3/t43-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C21H24N6O2S/c28-20(23-21-22-7-9-30-21)19-13-26-8-6-15(19)10-17(26)12-27-11-16(24-25-27)14-29-18-4-2-1-3-5-18/h1-5,7,9,11,15,17,19H,6,8,10,12-14H2,(H,22,23,28)/p+1/t15-,17-,19+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3Br)C4=CC=NC=C4
InChI: InChI=1S/C17H15BrN2/c18-15-6-2-5-14-12-3-1-4-13(12)16(20-17(14)15)11-7-9-19-10-8-11/h1-3,5-10,12-13,16,20H,4H2/t12-,13+,16+/m0/s1
SMILES: C1CO[C@@]2([C@@H]1[Se]C3=CC=CC=C3)C(=O)CN(C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C20H19NO3Se/c22-17-14-21(13-15-7-3-1-4-8-15)19(23)20(17)18(11-12-24-20)25-16-9-5-2-6-10-16/h1-10,18H,11-14H2/t18-,20-/m1/s1
SMILES: C1CN(C[C@@H]1O)C[C@@H]2[C@H]([C@@H](OC(O2)C3=CC=C(C=C3)CNC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)C6=CC=C(C=C6)CO)C7=CC=CC=C7
InChI: InChI=1S/C38H36N2O8/c41-22-24-8-10-26(11-9-24)34-33(25-4-2-1-3-5-25)32(21-40-17-16-29(42)20-40)46-38(47-34)27-12-6-23(7-13-27)19-39-35(43)28-14-15-30-31(18-28)37(45)48-36(30)44/h1-15,18,29,32-34,38,41-42H,16-17,19-22H2,(H,39,43)/t29-,32-,33-,34+,38?/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CCC1=O)C)CC[C@]4([C@H]3CO)CO4)C#N)C
InChI: InChI=1S/C22H31NO5/c1-4-27-18(26)20(3)14-5-9-21(12-23)15(19(14,2)8-7-17(20)25)6-10-22(13-28-22)16(21)11-24/h14-16,24H,4-11,13H2,1-3H3/t14-,15-,16+,19+,20-,21+,22-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=CC5=CC=CC=C5N4[C@H]([C@@H]3C2=O)C(=O)C
InChI: InChI=1S/C23H20N2O3/c1-13-7-10-16(11-8-13)24-22(27)19-18-12-9-15-5-3-4-6-17(15)25(18)21(14(2)26)20(19)23(24)28/h3-12,18-21H,1-2H3/t18-,19-,20-,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C(C)C
InChI: InChI=1S/C18H30O2/c1-11(2)15-7-4-12(3)8-17(15)20-18(19)16-10-13-5-6-14(16)9-13/h11-17H,4-10H2,1-3H3/t12-,13-,14+,15+,16-,17-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC[C@@H]4CO)C)C
InChI: InChI=1S/C22H36O3/c1-14(24)25-20-9-8-18-16-6-7-17-15(13-23)5-4-11-21(17,2)19(16)10-12-22(18,20)3/h15-20,23H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+,22+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C30H40O18S/c1-14-8-10-20(11-9-14)49(37,38)41-13-21-23(36)25(42-16(3)32)27(44-18(5)34)30(46-21)48-24-22(12-40-15(2)31)47-29(39-7)28(45-19(6)35)26(24)43-17(4)33/h8-11,21-30,36H,12-13H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(=O)C4)C
InChI: InChI=1S/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h16-19H,3-12H2,1-2H3/t16-,17-,18+,19+,21+/m1/s1
SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O)NC(=O)C)NC(=O)C)NC(=O)C)NC(=O)C)O
InChI: InChI=1S/C23H35N5O14/c1-6(20(35)36)24-19(34)17-15(33)11(25-7(2)29)14(28-10(5)32)23(42-17)41-16-12(26-8(3)30)13(27-9(4)31)22(39)40-18(16)21(37)38/h6,11-18,22-23,33,39H,1-5H3,(H,24,34)(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,35,36)(H,37,38)/t6-,11+,12+,13+,14-,15-,16-,17-,18-,22+,23+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C30H51N5O18/c1-11(24(45)33-14(8-36)27(47)49-6)31-25(46)13(34-29(48)53-30(3,4)5)7-17(40)35-26-18(32-12(2)39)20(42)23(16(10-38)50-26)52-28-22(44)21(43)19(41)15(9-37)51-28/h11,13-16,18-23,26,28,36-38,41-44H,7-10H2,1-6H3,(H,31,46)(H,32,39)(H,33,45)(H,34,48)(H,35,40)/t11-,13-,14-,15+,16+,18+,19-,20+,21-,22+,23+,26+,28-/m0/s1
SMILES: CC(C)C[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)Cl)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C32H28ClNO5/c1-17(2)15-24(32(38)39-16-25(35)18-11-13-19(33)14-12-18)34-30(36)28-26-20-7-3-4-8-21(20)27(29(28)31(34)37)23-10-6-5-9-22(23)26/h3-14,17,24,26-29H,15-16H2,1-2H3/t24-,26?,27?,28-,29+/m1/s1
SMILES: CN(C)CCN1C2=C(C[C@H]([C@H](C1=O)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC)C=C(C=C2)Cl
InChI: InChI=1S/C28H27Cl2N3O6/c1-31(2)12-13-32-25-11-6-19(29)14-18(25)15-23(17-4-8-21(38-3)9-5-17)26(27(32)34)39-28(35)22-10-7-20(33(36)37)16-24(22)30/h4-11,14,16,23,26H,12-13,15H2,1-3H3/t23-,26+/m0/s1
SMILES: C1=CC=[N+](C=C1)[C@H]2[C@H](C(=C(NC2=O)O)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H12FN3O2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/p+1/t14-,15-/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C55H68N2O9S/c1-3-28-57(54(60)63-33-32-61-39-41-18-8-5-9-19-41)51-38-49(56-65-40-42-20-10-6-11-21-42)47-36-43(22-14-16-29-58)46(25-15-17-30-59)52-48-37-44(62-34-35-67-45-23-12-7-13-24-45)26-27-50(48)66-55(51,53(47)52)64-31-4-2/h4-13,18-21,23-24,26-27,36-37,43,46,51-53,58-59H,2-3,14-17,22,25,28-35,38-40H2,1H3/t43-,46+,51-,52+,53+,55+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C28H18Cl2F5N3O7/c1-45-8-2-3-10(13(39)6-8)15-9-4-5-11-14(23(41)38(22(11)40)26(36)44)12(9)7-27(29)24(42)37(25(43)28(15,27)30)21-19(34)17(32)16(31)18(33)20(21)35/h2-4,6,11-12,14-15,39H,5,7H2,1H3,(H2,36,44)/t11-,12+,14-,15+,27+,28-/m0/s1
SMILES: C[C@@]1(C[C@@H]2[C@H]([C@@H]([C@@]3([C@@H](O2)C[C@H]([C@@H](O3)CC=C)OCCCC=C)C)OCC4=CC=CC=C4)O[C@@H]1CC=C)OC=C
InChI: InChI=1S/C33H46O6/c1-7-11-15-20-34-26-21-29-33(6,39-25(26)16-8-2)31(35-23-24-18-13-12-14-19-24)30-27(37-29)22-32(5,36-10-4)28(38-30)17-9-3/h7-10,12-14,18-19,25-31H,1-4,11,15-17,20-23H2,5-6H3/t25-,26+,27+,28+,29-,30+,31-,32-,33-/m0/s1
SMILES: CC(=O)OC[C@H](C(=C)CC[C@H]1C(=CC[C@@H]2[C@@]1(CCCC2(C)C)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C25H38O6/c1-16(21(31-18(3)27)15-30-17(2)26)9-11-20-19(23(28)29-7)10-12-22-24(4,5)13-8-14-25(20,22)6/h10,20-22H,1,8-9,11-15H2,2-7H3/t20-,21+,22-,25+/m0/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-])C
InChI: InChI=1S/C22H30N2O3/c1-16-14-19(20(22(26)27)15-17(16)2)21(25)24-12-10-23(11-13-24)9-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,26,27)/t19-,20-/m1/s1
SMILES: C1CC=C2[C@H](C1)[C@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(C(=C2C#N)N)(C#N)C#N
InChI: InChI=1S/C27H21N5O/c28-14-20-19-10-4-5-11-21(19)27(26(16-29,17-30)24(20)31)22-12-6-7-13-23(22)32(25(27)33)15-18-8-2-1-3-9-18/h1-3,6-10,12-13,21H,4-5,11,15,31H2/t21-,27+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CC5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)C#N)OCC=C
InChI: InChI=1S/C56H73FN4O8/c1-4-6-7-8-9-10-11-12-13-16-31-59-55(65)68-45-29-30-50-48(36-45)52-46(20-15-18-33-63)43(19-14-17-32-62)35-47-49(60-66-3)37-51(56(69-50,53(47)52)67-34-5-2)61(39-41-23-27-44(57)28-24-41)54(64)42-25-21-40(38-58)22-26-42/h5,21-30,35-36,43,46,51-53,62-63H,2,4,6-20,31-34,37,39H2,1,3H3,(H,59,65)/t43-,46+,51-,52+,53+,56+/m0/s1
SMILES: CCN1C(=CC(=N1)C2=C(N3[C@H](C2)[C@H](C3=O)[C@@H](C)O)C(=O)OCOC(=O)OC4(CCCCC4)C)C
InChI: InChI=1S/C24H33N3O7/c1-5-26-14(2)11-17(25-26)16-12-18-19(15(3)28)21(29)27(18)20(16)22(30)32-13-33-23(31)34-24(4)9-7-6-8-10-24/h11,15,18-19,28H,5-10,12-13H2,1-4H3/t15-,18-,19-/m1/s1
SMILES: C[C@H]([C@@H](C(=O)OC)N1[C@H]([C@H](C1=O)N2C(=C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5COC(O5)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H44N2O8Si/c1-21(44-45(8,9)33(2,3)4)25(31(38)40-7)35-27(24-20-41-34(5,6)43-24)28(30(35)37)36-26(22-16-12-10-13-17-22)29(42-32(36)39)23-18-14-11-15-19-23/h10-19,21,24-25,27-28H,20H2,1-9H3/t21-,24?,25+,27+,28-/m1/s1
SMILES: C[C@@H]([C@@H]([C@H](C(C)C)OC(=O)[C@H]1CCCC([C@H]1OC)NC(=O)[C@H]([C@@H](C)OC(=O)[C@H](CC2=CC=C(C=C2)OC)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N)NC(=O)OC(C)(C)C)OCOC)C(=O)O
InChI: InChI=1S/C49H79N5O15/c1-27(2)24-34(50)43(56)54-23-15-18-36(54)44(57)53(10)37(25-31-19-21-32(64-12)22-20-31)47(61)67-30(6)38(52-48(62)69-49(7,8)9)42(55)51-35-17-14-16-33(41(35)65-13)46(60)68-39(28(3)4)40(66-26-63-11)29(5)45(58)59/h19-22,27-30,33-41H,14-18,23-26,50H2,1-13H3,(H,51,55)(H,52,62)(H,58,59)/t29-,30+,33-,34-,35?,36-,37-,38-,39-,40-,41-/m0/s1
SMILES: C[C@H]1CN2[C@@H]([C@H]1O)C(=O)N[C@@H]([C@@H](C[C@@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C2=O)C(C)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)O)C(C)O)N)O)O.Cl
InChI: InChI=1S/C34H51N7O15.ClH/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15;/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54);1H/t12-,13?,14?,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+;/m0./s1
SMILES: CC(C)(C)[Si](C)(C)OCC(=C)[C@@H]1[C@H](N(C1=O)CC2=CC=CC=C2)C3=CC=CO3
InChI: InChI=1S/C23H31NO3Si/c1-17(16-27-28(5,6)23(2,3)4)20-21(19-13-10-14-26-19)24(22(20)25)15-18-11-8-7-9-12-18/h7-14,20-21H,1,15-16H2,2-6H3/t20-,21-/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C
InChI: InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m1/s1
SMILES: CC1(OC[C@H]([C@H](O1)CCC2=CC=CC(=C2)CCCC3=CC(=CC=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C33H38O6/c1-33(2)38-23-29(32(35)37-22-27-10-5-4-6-11-27)30(39-33)19-18-26-15-8-13-24(20-26)12-7-14-25-16-9-17-28(21-25)31(34)36-3/h4-6,8-11,13,15-17,20-21,29-30H,7,12,14,18-19,22-23H2,1-3H3/t29-,30-/m1/s1
SMILES: C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20-,21+,22+,24-,25+,26+,27+,28-/m1/s1
SMILES: CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)[C@@H]3C[C@H]3C4=CC=C(C=C4)C
InChI: InChI=1S/C23H22O4/c1-3-4-16-21(24)19-11-15(23(25)26)9-10-20(19)27-22(16)18-12-17(18)14-7-5-13(2)6-8-14/h5-11,17-18H,3-4,12H2,1-2H3,(H,25,26)/t17-,18+/m0/s1
SMILES: CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(CNC3=CC(=CC=C3)OC4=CC=CC=C4)O)C
InChI: InChI=1S/C21H25NO6/c1-20(2)27-17-12-25-21(24,19(23)18(17)28-20)13-22-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-11,17-19,22-24H,12-13H2,1-2H3/t17-,18-,19+,21-/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)NC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C15H15NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-7,9-10,12-13H,8H2,(H,16,17)(H,18,19)/t9-,10+,12-,13-/m1/s1
SMILES: C=CC1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI: InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)6-32-20(8)36-22-18(29)16(27)14(25)12(35-22)7-33-21-17(28)15(26)13(24)11(5-23)34-21/h2,6,8-9,11-18,20-29H,1,3-5,7H2/t8?,9-,11+,12+,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H16ClN3O5/c1-28-14-6-4-3-5-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-9-7-11(21)8-10-12/h3-10,15,17H,1-2H3/t15-,17-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2C(=O)C4=CC=C(C=C4)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI: InChI=1S/C25H31NO3/c1-24-13-11-19-17(7-10-21-25(19,2)14-12-22(28)26-21)18(24)8-9-20(24)23(29)15-3-5-16(27)6-4-15/h3-6,12,14,17-21,27H,7-11,13H2,1-2H3,(H,26,28)/t17?,18?,19?,20-,21-,24+,25-/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)N=O
InChI: InChI=1S/C14H10Cl2N4O5/c1-2-25-14(23)10-9-11(20(17-10)18-24)13(22)19(12(9)21)6-3-4-7(15)8(16)5-6/h3-5,9,11H,2H2,1H3/t9-,11+/m0/s1
SMILES: C1C[C@@H]2CN(C[C@@H]2NC1)C3=NC(=NC(=C3)C4=CC(=CC=C4)Cl)N
InChI: InChI=1S/C17H20ClN5/c18-13-5-1-3-11(7-13)14-8-16(22-17(19)21-14)23-9-12-4-2-6-20-15(12)10-23/h1,3,5,7-8,12,15,20H,2,4,6,9-10H2,(H2,19,21,22)/t12-,15+/m1/s1
SMILES: CC1=CC(=NO1)NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C15H17N3O4/c1-7-4-10(17-22-7)16-11(19)6-18-14(20)12-8-2-3-9(5-8)13(12)15(18)21/h4,8-9,12-13H,2-3,5-6H2,1H3,(H,16,17,19)/t8-,9+,12-,13-/m0/s1
SMILES: C[C@@H](C1=CC=C(C=C1)Br)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H16BrNO4/c1-9(10-2-4-11(18)5-3-10)19-8-17-7-6-12(23-17)13(16(21)22)14(17)15(19)20/h2-7,9,12-14H,8H2,1H3,(H,21,22)/t9-,12+,13-,14-,17+/m0/s1
SMILES: C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)Cl)Cl)Cl
InChI: InChI=1S/C17H15Cl3N2O3/c18-9-1-3-11-12(7-9)17(25)22(16(11)24)6-5-15(23)21-14-8-10(19)2-4-13(14)20/h1-2,4,8,11-12H,3,5-7H2,(H,21,23)/t11-,12-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=CN(N=N2)C3=CC4=C(N=C5C=C(C=CC5=C4C=C3)N6C=C(N=N6)CCCO[C@@H]7[C@H](C[C@H]([C@@H]([C@H]7O)O)N)N)C8=CC=CC=C8)O)O)N
InChI: InChI=1S/C41H51N11O6/c42-30-18-32(44)40(38(55)36(30)53)57-14-4-8-23-20-51(49-47-23)25-10-12-27-28-13-11-26(17-34(28)46-35(29(27)16-25)22-6-2-1-3-7-22)52-21-24(48-50-52)9-5-15-58-41-33(45)19-31(43)37(54)39(41)56/h1-3,6-7,10-13,16-17,20-21,30-33,36-41,53-56H,4-5,8-9,14-15,18-19,42-45H2/t30-,31-,32+,33+,36+,37+,38-,39-,40-,41-/m1/s1
SMILES: C[C@@H](C(=O)O)N1[C@H]([C@H](C1=O)OC2=CC=CC=C2)C3CCCCC3
InChI: InChI=1S/C18H23NO4/c1-12(18(21)22)19-15(13-8-4-2-5-9-13)16(17(19)20)23-14-10-6-3-7-11-14/h3,6-7,10-13,15-16H,2,4-5,8-9H2,1H3,(H,21,22)/t12-,15-,16+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)C[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)CCCCCCCCCC(=O)O)CO)O)O)O
InChI: InChI=1S/C32H57NO14/c1-16-27(39)32(44)30(42)22(45-16)13-18-21(47-24(15-35)31(43)29(18)41)12-19-23(14-34)46-20(26(28(19)40)33-17(2)36)10-8-6-4-3-5-7-9-11-25(37)38/h16,18-24,26-32,34-35,39-44H,3-15H2,1-2H3,(H,33,36)(H,37,38)/t16-,18-,19+,20-,21-,22-,23+,24+,26-,27+,28-,29+,30+,31-,32+/m0/s1
SMILES: CCO[C@H]1[C@@H]2[C@H]3C[C@@H]([C@@]2(C(=O)O1)[S@@](=O)C4=CC=C(C=C4)C)C=C3
InChI: InChI=1S/C18H20O4S/c1-3-21-16-15-12-6-7-13(10-12)18(15,17(19)22-16)23(20)14-8-4-11(2)5-9-14/h4-9,12-13,15-16H,3,10H2,1-2H3/t12-,13+,15+,16-,18-,23+/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C(=O)OC
InChI: InChI=1S/C27H29N3O5S/c1-6-35-19-9-7-18(8-10-19)22-20(13-28)26(30-25(32)23(22)27(33)34-5)36-14-21(31)29-24-16(3)11-15(2)12-17(24)4/h7-12,22-23H,6,14H2,1-5H3,(H,29,31)(H,30,32)/t22-,23-/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9+,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1
SMILES: CC(=O)S[C@@H]1C2=C([C@H](C[C@@]1(C)O)O)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
InChI: InChI=1S/C21H18O7S/c1-8(22)29-20-15-12(11(23)7-21(20,2)28)18(26)13-14(19(15)27)17(25)10-6-4-3-5-9(10)16(13)24/h3-6,11,20,23,26-28H,7H2,1-2H3/t11-,20+,21+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C=C5)O)OC)C)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H30ClFN2O6/c1-4-35-28(38)19-9-8-18-20(27(19)30(35)40)15-22-29(39)36(17-7-11-24(34)23(33)14-17)31(41)32(22,2)21(18)10-5-16-6-12-25(37)26(13-16)42-3/h5-8,10-14,19-22,27,37H,4,9,15H2,1-3H3/t19-,20+,21-,22-,27-,32-/m0/s1
SMILES: COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)[C@@H]3C[C@@H]4CC[C@H]3C4)OC
InChI: InChI=1S/C20H30N2O2/c1-23-19-6-4-16(13-20(19)24-2)14-21-7-9-22(10-8-21)18-12-15-3-5-17(18)11-15/h4,6,13,15,17-18H,3,5,7-12,14H2,1-2H3/p+2/t15-,17+,18-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=C(NC1=O)SCC)C#N)C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O5S/c1-3-25-17(22)14-13(10-7-5-6-8-12(10)20(23)24)11(9-18)16(26-4-2)19-15(14)21/h5-8,13-14H,3-4H2,1-2H3,(H,19,21)/t13-,14+/m0/s1
SMILES: CC[C@H](C)/C=C/C=C(\C)/C[C@@H](C)/C=C/C=C/[C@@H]1[C@@]([C@@H]([C@H]([C@@H](O1)O[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)(C)O
InChI: InChI=1S/C39H62O8SSi/c1-13-30(8)21-19-22-32(10)26-31(9)20-17-18-25-34-39(11,41)36(46-48(12,42)43)35(45-37(40)33-23-15-14-16-24-33)38(44-34)47-49(27(2)3,28(4)5)29(6)7/h14-25,27-31,34-36,38,41H,13,26H2,1-12H3/b20-17+,21-19+,25-18+,32-22+/t30-,31-,34+,35+,36+,38-,39+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@]1(CCCCC[C@@H]1CC(=O)N2CCCC2)C(=C)C
InChI: InChI=1S/C22H41NO2Si/c1-6-26(7-2,8-3)25-22(19(4)5)15-11-9-10-14-20(22)18-21(24)23-16-12-13-17-23/h20H,4,6-18H2,1-3,5H3/t20-,22+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
InChI: InChI=1S/C10H14N6O7S/c11-7-4-8(14-2-13-7)16(10(19)15-4)9-6(18)5(17)3(23-9)1-22-24(12,20)21/h2-3,5-6,9,17-18H,1H2,(H,15,19)(H2,11,13,14)(H2,12,20,21)/t3-,5-,6-,9-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N(O[C@@]1(C(F)(F)F)O)C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C15H18F3NO5/c1-4-23-13(20)11-12(9-5-7-10(22-3)8-6-9)19(2)24-14(11,21)15(16,17)18/h5-8,11-12,21H,4H2,1-3H3/t11-,12-,14-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CNC3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C17H21ClN2O2/c1-10-3-6-13-14(7-10)17(22)20(16(13)21)9-19-12-5-4-11(2)15(18)8-12/h4-5,8,10,13-14,19H,3,6-7,9H2,1-2H3/t10-,13-,14-/m0/s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/OS(=O)(=O)C(F)(F)F)OC)C)O[Si](C)(C)C(C)(C)C)C(C)C
InChI: InChI=1S/C27H43F3O6SSi/c1-17(2)19-12-11-18(3)20-15-22(35-38(9,10)24(4,5)6)25(7)13-14-26(33-8,36-25)23(16-21(19)20)34-37(31,32)27(28,29)30/h11,13-14,16-17,19-22H,12,15H2,1-10H3/b23-16+/t19-,20+,21-,22+,25+,26-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NCC(=O)NC2=CC=C(C=C2)C(=O)N
InChI: InChI=1S/C17H25N3O2/c1-11-4-3-5-15(12(11)2)19-10-16(21)20-14-8-6-13(7-9-14)17(18)22/h6-9,11-12,15,19H,3-5,10H2,1-2H3,(H2,18,22)(H,20,21)/t11-,12-,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI: InChI=1S/C20H27N3O2S2/c1-12-6-2-4-8-14(12)21-17(24)11-26-10-16-22-19(25)18-13-7-3-5-9-15(13)27-20(18)23-16/h12,14H,2-11H2,1H3,(H,21,24)(H,22,23,25)/t12-,14+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)N[C@@H]([C@@H]([C@]2(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H18F3N3O5S/c24-23(25,26)22(32)18(20(30)17-10-5-11-35-17)19(15-8-4-9-16(12-15)29(33)34)27-21(31)28(22)13-14-6-2-1-3-7-14/h1-12,18-19,32H,13H2,(H,27,31)/t18-,19-,22-/m1/s1
SMILES: CN(CCN1CC[C@H]([C@H](C1)OC)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C25H33ClN4O5/c1-29(14-16-4-6-17(7-5-16)25(32)33)10-11-30-9-8-21(23(15-30)35-3)28-24(31)18-12-19(26)20(27)13-22(18)34-2/h4-7,12-13,21,23H,8-11,14-15,27H2,1-3H3,(H,28,31)(H,32,33)/t21-,23+/m1/s1