EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)C(=O)OC1=C2CN[C@@H]3[C@H](C2=CC4=C1OCO4)[C@H]([C@@H]([C@@H]5[C@H]3OC(O5)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C30H46N2O9Si/c1-11-32(12-2)28(34)38-22-18-14-31-21-20(17(18)13-19-23(22)36-15-35-19)24(37-16(3)33)27(41-42(9,10)29(4,5)6)26-25(21)39-30(7,8)40-26/h13,20-21,24-27,31H,11-12,14-15H2,1-10H3/t20-,21+,24+,25-,26-,27-/m0/s1
SMILES: C[C@@]12[C@H]3[C@H](C(=O)N(C3=O)C)[C@]4(S1=O)CCCCCCCCC2=C4Br
InChI: InChI=1S/C18H24BrNO3S/c1-17-11-9-7-5-3-4-6-8-10-18(14(11)19,24(17)23)13-12(17)15(21)20(2)16(13)22/h12-13H,3-10H2,1-2H3/t12-,13+,17+,18+,24?/m0/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)C(=O)N
InChI: InChI=1S/C20H21N3O3/c21-19(24)13-2-1-3-16(10-13)26-15-7-4-12(5-8-15)20(25)23-18-11-14-6-9-17(18)22-14/h1-5,7-8,10,14,17-18,22H,6,9,11H2,(H2,21,24)(H,23,25)/t14-,17+,18-/m1/s1
SMILES: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)[C@@]34C[C@@]56CN7C(=O)C(=CC[C@]7(C[C@H]5C4(C)C)C(=O)N6C)SC8=CC=CC=C8)C
InChI: InChI=1S/C34H35N3O5S/c1-30(2)15-16-41-26-22(42-30)12-11-21-25(26)35-28(39)34(21)18-33-19-37-27(38)23(43-20-9-7-6-8-10-20)13-14-32(37,29(40)36(33)5)17-24(33)31(34,3)4/h6-13,15-16,24H,14,17-19H2,1-5H3,(H,35,39)/t24-,32-,33+,34+/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)Cl)CBr)Cl)CC7=CC=CC=C7
InChI: InChI=1S/C35H36BrCl2N3O6/c36-20-40-32(45)34(37)18-26-23(29(35(34,38)33(40)46)24-8-4-5-9-27(24)47-17-16-42)10-11-25-28(26)31(44)41(30(25)43)22-12-14-39(15-13-22)19-21-6-2-1-3-7-21/h1-10,22,25-26,28-29,42H,11-20H2/t25-,26+,28-,29+,34+,35-/m0/s1
SMILES: CC(C)C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)C
InChI: InChI=1S/C15H25N3O5/c1-7(2)4-11(14(16)22)18-15(23)9-5-10(17-8(3)19)13(21)12(20)6-9/h5,7,10-13,20-21H,4,6H2,1-3H3,(H2,16,22)(H,17,19)(H,18,23)/t10-,11-,12-,13-/m1/s1
SMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)C[C@@]4(C(C)CNC(=O)C5C[N+]6(CCC5CC6)CC(=O)[O-])O
InChI: InChI=1S/C34H52N4O6S/c1-24-7-5-6-8-29(24)36-13-15-37(16-14-36)45(43,44)23-33-12-9-27(32(33,3)4)19-34(33,42)25(2)20-35-31(41)28-21-38(22-30(39)40)17-10-26(28)11-18-38/h5-8,25-28,42H,9-23H2,1-4H3,(H-,35,39,40,41)/t25?,26?,27-,28?,33+,34+,38?/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)CCCO
InChI: InChI=1S/C36H41N5O6/c1-4-46-36-27(13-10-20-42)28(32-23(2)40(3)41(35(32)45)26-11-6-5-7-12-26)21-31(47-36)34(44)38-22-24-16-18-25(19-17-24)33(43)39-30-15-9-8-14-29(30)37/h5-9,11-12,14-19,21,27-28,36,42H,4,10,13,20,22,37H2,1-3H3,(H,38,44)(H,39,43)/t27-,28+,36-/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]3C5=C(C(=CC=C5)OCC)O)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H35Cl2N3O7/c1-4-41-33(44)23-15-14-22-25(30(23)35(41)46)18-26-34(45)42(40-28-16-11-20(38)17-27(28)39)36(47)37(26,19-9-12-21(48-3)13-10-19)31(22)24-7-6-8-29(32(24)43)49-5-2/h6-14,16-17,23,25-26,30-31,40,43H,4-5,15,18H2,1-3H3/t23-,25+,26-,30-,31+,37+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4
InChI: InChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/p+1/t17-,19+/m1/s1
SMILES: COC(=O)C1=C(C=CS1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]
InChI: InChI=1S/C14H15NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-3,6-9H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t8-,9+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)N)C)N(C(=O)O2)N(CC)CCCN4C=C(N=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C45H71FN6O9/c1-13-34-45(9)37(52(42(56)61-45)51(14-2)22-18-21-50-25-32(48-26-50)31-19-16-15-17-20-31)29(5)35(47)27(3)24-43(7,57-12)39(30(6)38(54)44(8,46)41(55)59-34)60-40-36(53)33(49(10)11)23-28(4)58-40/h15-17,19-20,25-30,33-37,39-40,53H,13-14,18,21-24,47H2,1-12H3/t27-,28-,29+,30+,33+,34-,35?,36-,37-,39-,40+,43+,44?,45-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)C2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)C
InChI: InChI=1S/C20H18O5/c1-10-11(2)20(21)14-7-18-17(24-9-25-18)6-13(14)19(10)12-3-4-15-16(5-12)23-8-22-15/h3-7,10-11,19H,8-9H2,1-2H3/t10-,11-,19?/m0/s1
SMILES: C[C@]1(C[C@]2([C@@H](CC[C@@H]1[C@H]2OCOC)C(=C)CSC3=CC=CC=C3)CO)OCOC
InChI: InChI=1S/C23H34O5S/c1-17(12-29-18-8-6-5-7-9-18)19-10-11-20-21(27-15-25-3)23(19,14-24)13-22(20,2)28-16-26-4/h5-9,19-21,24H,1,10-16H2,2-4H3/t19-,20+,21+,22+,23+/m0/s1
SMILES: CC([C@@]12CCCN3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)OC(=O)C
InChI: InChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14?,21-,22-,23-/m0/s1
SMILES: CC(=C)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC=C4[C@]3(C[C@@H](C5C4CC(CC5)(C)C)C(=O)O)C)C)C
InChI: InChI=1S/C33H52O3/c1-20(2)36-27-14-16-31(7)25(30(27,5)6)13-17-32(8)26(31)11-10-24-22-18-29(3,4)15-12-21(22)23(28(34)35)19-33(24,32)9/h10,21-23,25-27H,1,11-19H2,2-9H3,(H,34,35)/t21?,22?,23-,25?,26?,27-,31-,32+,33+/m0/s1
SMILES: CNC1=CC=CC=C1C(=O)NC[C@@H]2C[C@@H]3CCN2C[C@@H]3C#C
InChI: InChI=1S/C18H23N3O/c1-3-13-12-21-9-8-14(13)10-15(21)11-20-18(22)16-6-4-5-7-17(16)19-2/h1,4-7,13-15,19H,8-12H2,2H3,(H,20,22)/t13-,14-,15-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCC6=CC=CC=C6F)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCCl
InChI: InChI=1S/C51H56ClF2N3O10/c1-2-26-65-51-47(56(50(60)63-27-23-52)31-34-13-17-38(53)18-14-34)30-45(55-66-32-35-15-19-39(20-16-35)57(61)62)42-28-36(9-5-7-24-58)41(11-6-8-25-59)48(49(42)51)43-29-40(21-22-46(43)67-51)64-33-37-10-3-4-12-44(37)54/h2-4,10,12-22,28-29,36,41,47-49,58-59H,1,5-9,11,23-27,30-33H2/t36-,41+,47-,48+,49+,51+/m0/s1
SMILES: C1CC[C@@H]2C/C(=N\NC(=O)C3=CC=CC=C3Cl)/CC[C@@H]2C1
InChI: InChI=1S/C17H21ClN2O/c18-16-8-4-3-7-15(16)17(21)20-19-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,20,21)/b19-14-/t12-,13+/m0/s1
SMILES: CC1=CC2C(CC1)([C@@]3(C([C@@H]([C@@H]([C@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C
InChI: InChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15?,16-,17?,18-,19-,20?,21+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC4=CC(=CC=C4)F)O)O
InChI: InChI=1S/C23H28FNO3/c1-28-21-14-17(8-9-20(21)26)22-19-7-2-3-10-23(19,27)11-12-25(22)15-16-5-4-6-18(24)13-16/h4-6,8-9,13-14,19,22,26-27H,2-3,7,10-12,15H2,1H3/t19-,22+,23+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C(CS3)(F)F)O
InChI: InChI=1S/C21H26F2O2SSi/c1-20(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-14-18-19(24)21(22,23)15-26-18/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m1/s1
SMILES: C[C@@H]1CC2=C([C@@H]3N1C[C@@H]4[C@@H]3CC=CC4)NC5=CC=CC=C25
InChI: InChI=1S/C19H22N2/c1-12-10-16-15-8-4-5-9-17(15)20-18(16)19-14-7-3-2-6-13(14)11-21(12)19/h2-5,8-9,12-14,19-20H,6-7,10-11H2,1H3/t12-,13-,14+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@@H]([C@@H]4[NH+]2CCC4)C(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C23H21ClN2O3/c1-13-7-9-14(10-8-13)21(27)20-19-18(17-6-3-11-25(17)20)22(28)26(23(19)29)16-5-2-4-15(24)12-16/h2,4-5,7-10,12,17-20H,3,6,11H2,1H3/p+1/t17-,18-,19+,20-/m1/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCC(=O)O)N2CC3=CC=CC=C3Cl
InChI: InChI=1S/C16H17ClN2O5S2/c17-11-4-2-1-3-10(11)7-19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)5-6-15(21)22/h1-4,12-13H,5-9H2,(H,21,22)/t12-,13-/m0/s1
SMILES: CC[Si](CC)(CC)/C(=C(/[C@H]1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)\O)/[N+]#N
InChI: InChI=1S/C34H42N2O5Si/c1-4-42(5-2,6-3)34(36-35)30(37)32-33(40-24-28-20-14-9-15-21-28)31(39-23-27-18-12-8-13-19-27)29(41-32)25-38-22-26-16-10-7-11-17-26/h7-21,29,31-33H,4-6,22-25H2,1-3H3/p+1/b34-30-/t29-,31-,32+,33-/m1/s1
SMILES: CCOC(=O)NN([C@H](C)C1=C(C(=NO1)C)C2=N[C@H]([C@@H](O2)C3=CC=CC=C3)COC)C(=O)OCC
InChI: InChI=1S/C23H30N4O7/c1-6-31-22(28)25-27(23(29)32-7-2)15(4)19-18(14(3)26-34-19)21-24-17(13-30-5)20(33-21)16-11-9-8-10-12-16/h8-12,15,17,20H,6-7,13H2,1-5H3,(H,25,28)/t15-,17+,20+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)CCC3=CNC4=C3C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C24H27NO8/c26-12-19-21(27)22(28)23(29)24(33-19)32-17-3-1-2-15-20(17)14(11-25-15)6-4-13-5-7-16-18(10-13)31-9-8-30-16/h1-3,5,7,10-11,19,21-29H,4,6,8-9,12H2/t19-,21-,22+,23-,24-/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3C)C(=O)N(C2=O)C)CO
InChI: InChI=1S/C18H22N2O5/c1-4-25-17(24)18(9-21)13-12(15(22)20(3)16(13)23)14(19-18)11-8-6-5-7-10(11)2/h5-8,12-14,19,21H,4,9H2,1-3H3/t12-,13+,14-,18+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C19H20N2O3S/c1-13-8-9-16(10-14(13)2)21-18-12-25(23,24)11-17(18)20(19(21)22)15-6-4-3-5-7-15/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)NC(=O)[C@H]4C[C@@H]4C5=CC=CC=C5
InChI: InChI=1S/C27H26N2O2/c1-17-12-13-24(28-26(30)22-15-20(22)18-8-4-2-5-9-18)25(14-17)29-27(31)23-16-21(23)19-10-6-3-7-11-19/h2-14,20-23H,15-16H2,1H3,(H,28,30)(H,29,31)/t20-,21-,22+,23+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C44H47N5O8/c1-29-37(25-47-21-19-44(20-22-47)42(53)45-28-48(44)34-12-6-3-7-13-34)56-41(57-39(29)32-17-15-30(26-50)16-18-32)33-11-8-14-35(23-33)49-38(51)24-36(40(49)52)46-43(54)55-27-31-9-4-2-5-10-31/h2-18,23,29,36-37,39,41,50H,19-22,24-28H2,1H3,(H,45,53)(H,46,54)/t29-,36?,37+,39+,41+/m0/s1
SMILES: CC(=O)OC1=C[C@]2(CC(=O)N([C@]2(C3=CC=CC=C31)O)CCC4=CC(=C(C=C4)OC)OC)C(=O)OC
InChI: InChI=1S/C26H27NO8/c1-16(28)35-22-14-25(24(30)34-4)15-23(29)27(26(25,31)19-8-6-5-7-18(19)22)12-11-17-9-10-20(32-2)21(13-17)33-3/h5-10,13-14,31H,11-12,15H2,1-4H3/t25-,26+/m0/s1
SMILES: CC(=CCC1=C(C=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C
InChI: InChI=1S/C17H24O7/c1-9(2)3-4-10-7-11(19)5-6-12(10)23-17-16(22)15(21)14(20)13(8-18)24-17/h3,5-7,13-22H,4,8H2,1-2H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: CCC[C@@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)CC3=CC=CC=C3
InChI: InChI=1S/C22H23N5/c1-2-6-20-19-13-27(12-16-7-4-3-5-8-16)10-9-17(19)18(11-23)21(26)22(20,14-24)15-25/h3-5,7-9,19-20H,2,6,10,12-13,26H2,1H3/t19-,20-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)O
InChI: InChI=1S/C23H17FN2O4/c24-15-8-10-16(11-9-15)25-22(28)19-20(14-6-12-18(27)13-7-14)26(30-21(19)23(25)29)17-4-2-1-3-5-17/h1-13,19-21,27H/t19-,20+,21+/m0/s1
SMILES: C1CCN(CC1)C[C@H]2CO[C@@]3(O2)CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C18H31NO2/c1-4-10-19(11-5-1)13-17-14-20-18(21-17)9-8-15-6-2-3-7-16(15)12-18/h15-17H,1-14H2/t15-,16+,17-,18+/m0/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(C=C[C@]34C)O)C)OC
InChI: InChI=1S/C22H30O4/c1-14(23)26-22(25-4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h5-7,10,13,16-19,24H,8-9,11-12H2,1-4H3/t16?,17-,18+,19+,20+,21+,22+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@H]3C[C@H](CC=C3C(C(=C2C#N)N)(C#N)C#N)C
InChI: InChI=1S/C22H22N4/c1-3-15-5-7-16(8-6-15)20-17-10-14(2)4-9-19(17)22(12-24,13-25)21(26)18(20)11-23/h5-9,14,17,20H,3-4,10,26H2,1-2H3/t14-,17-,20-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCCCC6
InChI: InChI=1S/C36H41N3O7/c1-24-31(21-38-18-6-3-7-19-38)45-35(46-33(24)27-12-10-25(22-40)11-13-27)28-14-16-29(17-15-28)39-32(41)20-30(34(39)42)37-36(43)44-23-26-8-4-2-5-9-26/h2,4-5,8-17,24,30-31,33,35,40H,3,6-7,18-23H2,1H3,(H,37,43)/t24-,30?,31+,33+,35+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N(CN(N3C(=O)O2)CCCC5=CC=NC6=CC=CC=C56)CC)C)C
InChI: InChI=1S/C45H69N5O9/c1-12-35-45(9)39-28(5)36(48(13-2)25-49(50(39)43(54)59-45)22-16-17-31-20-21-46-33-19-15-14-18-32(31)33)26(3)24-44(8,55)40(29(6)37(51)30(7)41(53)57-35)58-42-38(52)34(47(10)11)23-27(4)56-42/h14-15,18-21,26-30,34-36,38-40,42,52,55H,12-13,16-17,22-25H2,1-11H3/t26-,27-,28+,29+,30-,34+,35-,36?,38-,39-,40-,42+,44+,45-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=NC(=S)NC(=C24)Cl)[N+](=O)[O-]
InChI: InChI=1S/C15H8ClN5O4S2.C10H13N5O4/c16-10-8-7(5-1-3-6(4-2-5)21(23)24)9-11(22)18-15(27)20-13(9)25-12(8)19-14(26)17-10;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h1-4,7H,(H,17,19,26)(H2,18,20,22,27);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t;6-,7+,8+/m.0/s1
SMILES: CC(C)[Si]1(OC[C@H]2C[C@H]([C@@H]([C@@H]2O[Si](O1)(C(C)C)C(C)C)O)CO)C(C)C
InChI: InChI=1S/C19H40O5Si2/c1-12(2)25(13(3)4)22-11-17-9-16(10-20)18(21)19(17)23-26(24-25,14(5)6)15(7)8/h12-21H,9-11H2,1-8H3/t16-,17+,18-,19+/m0/s1
SMILES: COC(=O)[C@@]1(C[C@H]1/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)[C@]5(C[C@H]5C6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C36H32O4/c1-39-33(37)35(23-31(35)18-13-25-9-5-3-6-10-25)29-19-14-26(15-20-29)27-16-21-30(22-17-27)36(34(38)40-2)24-32(36)28-11-7-4-8-12-28/h3-22,31-32H,23-24H2,1-2H3/b18-13+/t31-,32+,35+,36+/m1/s1
SMILES: C(CCCCO[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)CCCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C18H33NO10/c20-11-12-15(25)16(26)17(18(27)29-12)28-8-6-4-2-1-3-5-7-19(9-13(21)22)10-14(23)24/h12,15-18,20,25-27H,1-11H2,(H,21,22)(H,23,24)/t12-,15-,16+,17-,18?/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7
InChI: InChI=1S/C33H27Cl2FN2O5S/c1-16-12-18(13-17(2)27(16)39)26-22-9-10-23-25(29(41)37(28(23)40)15-21-4-3-11-44-21)24(22)14-32(34)30(42)38(31(43)33(26,32)35)20-7-5-19(36)6-8-20/h3-9,11-13,23-26,39H,10,14-15H2,1-2H3/t23-,24+,25-,26-,32+,33-/m0/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9)O
InChI: InChI=1S/C50H38N2O7/c1-58-43-26-29(17-25-41(43)53)16-24-38-34-22-23-35-45(49(57)52(48(35)56)33-20-18-31(19-21-33)47-51-40-14-8-9-15-42(40)59-47)37(34)27-39-46(55)36(30-10-4-2-5-11-30)28-44(54)50(38,39)32-12-6-3-7-13-32/h2-22,24-26,28,35,37-39,45,53H,23,27H2,1H3/t35-,37+,38-,39-,45-,50-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5=CC=C(C=C5)CO[N+](=O)[O-])O)C
InChI: InChI=1S/C29H33NO9/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-17(4-6-18)15-39-30(36)37/h3-6,13,21-22,25,35H,7-12,14-16H2,1-2H3/t21-,22-,25+,27-,28-,29-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C42H49N3O9S/c1-3-22-52-42-39(55-33-17-12-30(13-18-33)43-27(2)48)25-37(44-53-26-28-10-14-31(15-11-28)45(50)51)35-23-29(8-4-6-20-46)34(9-5-7-21-47)40(41(35)42)36-24-32(49)16-19-38(36)54-42/h3,10-19,23-24,29,34,39-41,46-47,49H,1,4-9,20-22,25-26H2,2H3,(H,43,48)/t29-,34+,39-,40+,41+,42+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-10-4-2-3-5-14(10)19-15(20)9-22-16(21)12-7-6-11(17)8-13(12)18/h6-8,10,14H,2-5,9H2,1H3,(H,19,20)/t10-,14-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@@H](O2)[C@H](O1)OCC3=CC=CC=C3)O[C@H]4CO[C@H]([C@@H]5[C@H]4O5)OCC6=CC=CC=C6
InChI: InChI=1S/C24H26O7/c1-3-7-15(8-4-1)11-25-23-21-19(30-21)17(13-27-23)29-18-14-28-24(22-20(18)31-22)26-12-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19-,20+,21-,22+,23+,24-/m0/s1
SMILES: CCN1CC[C@@H]2[C@H](C1)C3=C([C@H]2C4=CC=C(C=C4)C(=O)O)C=C(C(=C3)[Si](C)(C)C)C.Cl
InChI: InChI=1S/C25H33NO2Si.ClH/c1-6-26-12-11-19-22(15-26)20-14-23(29(3,4)5)16(2)13-21(20)24(19)17-7-9-18(10-8-17)25(27)28;/h7-10,13-14,19,22,24H,6,11-12,15H2,1-5H3,(H,27,28);1H/t19-,22+,24+;/m1./s1
SMILES: [B-]1([C@@H]([C@H](N1[C@@H](C)C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[C@H]6C[C@H]7C[C@@H]([C@@H]6C)C7(C)C
InChI: InChI=1S/C39H46BNP/c1-28-36-26-32(39(36,4)5)27-37(28)40-38(30(3)41(40)29(2)31-18-10-6-11-19-31)42(33-20-12-7-13-21-33,34-22-14-8-15-23-34)35-24-16-9-17-25-35/h6-25,28-30,32,36-38H,26-27H2,1-5H3/t28-,29-,30+,32+,36-,37-,38+/m0/s1
SMILES: CC(C)[C@@]12C(=O)N3[C@@H]4[C@]([C@@H](C3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C67[C@@H](C89C(=O)N([C@](C(=O)N8[C@@H]6NC1=CC=CC=C71)(SS9)C(C)C)C)O
InChI: InChI=1S/C34H36N6O6S4/c1-15(2)31-27(45)39-23-29(17-11-7-9-13-19(17)35-23,21(41)33(39,49-47-31)25(43)37(31)5)30-18-12-8-10-14-20(18)36-24(30)40-28(46)32(16(3)4)38(6)26(44)34(40,22(30)42)50-48-32/h7-16,21-24,35-36,41-42H,1-6H3/t21-,22-,23-,24+,29?,30+,31-,32+,33?,34?/m0/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5)C
InChI: InChI=1S/C26H34N2O3/c1-16-5-4-8-26(2)11-23-19(10-21(16)26)20(25(30)31-23)15-27-12-17-9-18(14-27)22-6-3-7-24(29)28(22)13-17/h3,6-7,10,16-20,23H,4-5,8-9,11-15H2,1-2H3/p+1/t16-,17+,18-,19+,20+,23+,26+/m0/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@H]([C@@H]3C(=O)N1C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H12N2O6/c18-13-12-11(14(19)20)10-4-5-15(12,23-10)7-16(13)8-2-1-3-9(6-8)17(21)22/h1-6,10-12H,7H2,(H,19,20)/p-1/t10-,11+,12+,15-/m0/s1
SMILES: C[C@@H]([C@@]12C[C@H]([C@H]3[C@]([C@@H]1C=CC(=O)OC2)(CC[C@@]4([C@@]3(CC[C@@]5([C@]4(CC(=C)CC5)O)C)C)C(=O)OC)C)O)O
InChI: InChI=1S/C30H44O7/c1-18-9-10-25(3)11-13-27(5)23-20(32)16-28(19(2)31)17-37-22(33)8-7-21(28)26(23,4)12-14-29(27,24(34)36-6)30(25,35)15-18/h7-8,19-21,23,31-32,35H,1,9-17H2,2-6H3/t19-,20+,21-,23-,25+,26-,27+,28-,29-,30-/m0/s1
SMILES: CC(=O)O[C@]1(C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(CCC[C@@]4(C)O)C)CO
InChI: InChI=1S/C21H34O4/c1-14(23)25-21(13-22)12-20-10-7-16-18(2,8-4-9-19(16,3)24)17(20)6-5-15(21)11-20/h15-17,22,24H,4-13H2,1-3H3/t15-,16+,17+,18-,19-,20+,21-/m1/s1
SMILES: CC(C)CN1C(=O)N(C(=O)C12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CCC6)CC(F)F
InChI: InChI=1S/C31H42F2N4O3/c1-20(2)15-37-30(40)36(19-27(32)33)29(39)31(37)13-24-11-12-25(14-31)35(24)17-23-16-34(28(38)22-9-6-10-22)18-26(23)21-7-4-3-5-8-21/h3-5,7-8,20,22-27H,6,9-19H2,1-2H3/t23-,24?,25?,26-,31?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C18H22Cl2N2O4/c1-11-4-2-3-5-15(11)21-18(25)22-16(23)10-26-17(24)9-12-6-7-13(19)14(20)8-12/h6-8,11,15H,2-5,9-10H2,1H3,(H2,21,22,23,25)/t11-,15-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC5=C(C4)N(C6=CC=CC=C56)C)C
InChI: InChI=1S/C26H33NO/c1-25-13-12-21-18(20(25)10-11-24(25)28)9-8-16-14-23-19(15-26(16,21)2)17-6-4-5-7-22(17)27(23)3/h4-7,16,18,20-21H,8-15H2,1-3H3/t16-,18+,20-,21+,25-,26-/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)[C@@H]4O)O)(C)C(=O)OC
InChI: InChI=1S/C21H32O4/c1-12-13-6-7-14-19(2)8-5-9-20(3,18(24)25-4)15(19)10-16(22)21(14,11-13)17(12)23/h13-17,22-23H,1,5-11H2,2-4H3/t13-,14+,15+,16+,17+,19+,20-,21-/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16+,17+,18+,19+,20-,21-,23+,24-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@]23CCC(=O)C[C@]2([C@H](C(=O)N3CCS(=O)(=O)C4=CC=CC=C4)OS(=O)(=O)C)C(=O)OC)OC
InChI: InChI=1S/C27H31NO11S2/c1-36-21-11-10-18(16-22(21)37-2)27-13-12-19(29)17-26(27,25(31)38-3)23(39-40(4,32)33)24(30)28(27)14-15-41(34,35)20-8-6-5-7-9-20/h5-11,16,23H,12-15,17H2,1-4H3/t23-,26-,27+/m0/s1
SMILES: C1[C@@H]([C@]12[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)N
InChI: InChI=1S/C8H15NO5/c9-4-1-8(4)7(13)6(12)5(11)3(2-10)14-8/h3-7,10-13H,1-2,9H2/t3-,4+,5+,6+,7-,8+/m1/s1
SMILES: C(CN(CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1O)CO)O)O)CS)NC(CS)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O
InChI: InChI=1S/C20H38N4O12S2/c25-4-9-14(28)16(30)12(19(33)35-9)22-11(27)3-24(7-38)2-1-21-8(6-37)18(32)23-13-17(31)15(29)10(5-26)36-20(13)34/h8-10,12-17,19-21,25-26,28-31,33-34,37-38H,1-7H2,(H,22,27)(H,23,32)/t8?,9-,10+,12-,13+,14-,15+,16-,17+,19-,20+/m0/s1
SMILES: CCCCCC[C@H]1[C@H]2[C@@H](C(=O)O1)[C@]3(CC4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)O2
InChI: InChI=1S/C27H28O4/c1-2-3-4-5-14-21-24-23(25(28)30-21)27(26(29)31-24)15-20-16-10-6-8-12-18(16)22(27)19-13-9-7-11-17(19)20/h6-13,20-24H,2-5,14-15H2,1H3/t20?,21-,22?,23-,24-,27+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H17F3N2O3/c1-10(23-16(25)13-4-2-3-5-14(13)17(23)26)15(24)22-12-8-6-11(7-9-12)18(19,20)21/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,24)/t10-,13-,14+/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)CN=[N+]=[N-])CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C49H77N3O12Si/c1-18-31(2)28-32(3)24-25-38(54)59-41-40(63-65(16,17)46(13,14)15)47(27-26-33(4)39(58-35(6)53)34(5)29-36-22-20-19-21-23-36)60-37(30-51-52-50)48(57,42(55)61-44(7,8)9)49(41,64-47)43(56)62-45(10,11)12/h19-25,31-32,34,37,39-41,57H,4,18,26-30H2,1-3,5-17H3/b25-24+/t31-,32+,34+,37+,39+,40+,41+,47-,48+,49-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CCN
InChI: InChI=1S/C38H42N4O6/c39-9-12-41-10-7-35-27-19-3-5-23(43)31(27)47-33(35)29-21(15-37(35,45)25(41)13-19)22-16-38(46)26-14-20-4-6-24(44)32-28(20)36(38,34(48-32)30(22)40-29)8-11-42(26)17-18-1-2-18/h3-6,18,25-26,33-34,40,43-46H,1-2,7-17,39H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)CNCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H45N3O13/c1-14(2)10-19(27(38)44-28(7,8)9)30-21(36)11-29-12-22(37)31-26-25(42-18(6)35)24(41-17(5)34)23(40-16(4)33)20(43-26)13-39-15(3)32/h14,19-20,23-26,29H,10-13H2,1-9H3,(H,30,36)(H,31,37)/t19-,20+,23-,24-,25+,26+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C
InChI: InChI=1S/C22H28N2O5/c1-14-7-4-5-10-20(14)23-21(25)13-28-22(26)17-8-6-9-18(11-17)27-12-19-15(2)24-29-16(19)3/h6,8-9,11,14,20H,4-5,7,10,12-13H2,1-3H3,(H,23,25)/t14-,20+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](NC(=S)N[C@@]2(C(F)(F)F)O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]
InChI: InChI=1S/C18H14F3N3O5S/c19-18(20,21)17(27)13(15(26)9-4-2-1-3-5-9)14(22-16(30)23-17)10-6-7-12(25)11(8-10)24(28)29/h1-8,13-14,25,27H,(H2,22,23,30)/p-1/t13-,14-,17+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]2[C@@H]1C(=O)C(=C(C2=O)C)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C19H22O5/c1-9-14(11-6-7-12(22-3)13(8-11)23-4)16-15(9)18(21)19(24-5)10(2)17(16)20/h6-9,14-16H,1-5H3/t9-,14+,15-,16+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@H]([C@H](C2)C(=C)C3=CC=CC=C3)C
InChI: InChI=1S/C23H35NO/c1-16-11-12-21(22(25)13-16)23(4,5)24-14-17(2)20(15-24)18(3)19-9-7-6-8-10-19/h6-10,16-17,20-22,25H,3,11-15H2,1-2,4-5H3/t16-,17-,20+,21-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=NC(=N2)[N+](=O)[O-])OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H18N4O10/c1-6(19)25-5-9-10(26-7(2)20)11(27-8(3)21)12(28-9)17-14(24-4)15-13(16-17)18(22)23/h9-12H,5H2,1-4H3/t9-,10-,11-,12-/m1/s1
SMILES: CCCCC1=C(C(=O)C2=C(C1=O)CO[C@H]3[C@@H]2C[C@H](O[C@@H]3CO[Si](C(C)C)(C(C)C)C(C)C)OC)OC(C)C
InChI: InChI=1S/C30H50O7Si/c1-11-12-13-21-27(31)23-15-34-29-22(26(23)28(32)30(21)36-17(2)3)14-25(33-10)37-24(29)16-35-38(18(4)5,19(6)7)20(8)9/h17-20,22,24-25,29H,11-16H2,1-10H3/t22-,24-,25+,29+/m1/s1
SMILES: C1CCN(CC1)C(=O)/C=C/[C@@H]2[C@@H](C=C[C@@H]([C@H]2C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C34H38N2O6/c37-32(35-15-3-1-4-16-35)14-11-26-25(23-7-12-28-30(19-23)41-21-39-28)9-10-27(34(38)36-17-5-2-6-18-36)33(26)24-8-13-29-31(20-24)42-22-40-29/h7-14,19-20,25-27,33H,1-6,15-18,21-22H2/b14-11+/t25-,26+,27-,33-/m0/s1
SMILES: C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3C[C@@H]1O)C(C)(C)OCOC)C)(COC)O
InChI: InChI=1S/C23H38O5/c1-15-16-7-10-23(25,13-26-5)19(16)12-22(4)9-8-17(18(22)11-20(15)24)21(2,3)28-14-27-6/h12,15-16,20,24-25H,7-11,13-14H2,1-6H3/b19-12+/t15-,16+,20+,22-,23+/m1/s1
SMILES: CC(=O)C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6Br
InChI: InChI=1S/C26H18BrNO3/c1-14(29)26-17-10-4-2-8-15(17)21(16-9-3-5-11-18(16)26)22-23(26)25(31)28(24(22)30)20-13-7-6-12-19(20)27/h2-13,21-23H,1H3/t21?,22-,23-,26?/m1/s1
SMILES: C1CN2CCC1C3=C2[C@@H]([C@H](C(=O)N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C22H22N2O/c25-22-19(16-9-5-2-6-10-16)18(15-7-3-1-4-8-15)21-20(23-22)17-11-13-24(21)14-12-17/h1-10,17-19H,11-14H2,(H,23,25)/t18-,19-/m1/s1