EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC=C5CNC(=O)CCCCC(=O)NC6=CC=CC=C6N)C7=CC=C(C=C7)CO
InChI: InChI=1S/C51H65N5O6/c1-51(2,3)55-49(60)45-29-28-36-12-5-9-17-44(36)56(45)32-40-30-46(37-22-20-34(33-57)21-23-37)62-50(61-40)38-26-24-35(25-27-38)41-14-6-4-13-39(41)31-53-47(58)18-10-11-19-48(59)54-43-16-8-7-15-42(43)52/h4,6-8,13-16,20-27,36,40,44-46,50,57H,5,9-12,17-19,28-33,52H2,1-3H3,(H,53,58)(H,54,59)(H,55,60)/t36-,40-,44-,45-,46+,50+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C26H29N5O4/c1-33-21-5-3-18(4-6-21)23-15-31(29-28-23)13-20-11-19-8-9-30(20)14-22(19)26(32)27-12-17-2-7-24-25(10-17)35-16-34-24/h2-7,10,15,19-20,22H,8-9,11-14,16H2,1H3,(H,27,32)/t19-,20-,22+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C21H23NO3S/c1-4-25-21(24)20-17(14-7-9-16(10-8-14)22(2)3)12-15(13-18(20)23)19-6-5-11-26-19/h5-11,13,17,20H,4,12H2,1-3H3/t17-,20+/m1/s1
SMILES: CC(=O)NCCNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)CCO
InChI: InChI=1S/C17H28N6O3/c1-12(25)18-4-5-19-17(26)16-11-22-6-2-13(16)8-15(22)10-23-9-14(3-7-24)20-21-23/h9,13,15-16,24H,2-8,10-11H2,1H3,(H,18,25)(H,19,26)/p+1/t13-,15-,16+/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1OC(=O)C)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)OC(=O)C)NC(=O)C(F)(F)F)O
InChI: InChI=1S/C32H32F3NO13/c1-5-31(45)10-17(49-18-9-15(36-30(44)32(33,34)35)28(11(2)46-18)47-12(3)37)20-23(29(31)48-13(4)38)27(43)21-22(26(20)42)25(41)19-14(24(21)40)7-6-8-16(19)39/h6-8,11,15,17-18,28-29,39,42-43,45H,5,9-10H2,1-4H3,(H,36,44)/t11-,15-,17-,18-,28-,29+,31+/m0/s1
SMILES: CC(=C1C[C@@H]2[C@](O2)(CC[C@@H]3[C@](O3)(CC1=O)C)C)C
InChI: InChI=1S/C15H22O3/c1-9(2)10-7-13-14(3,18-13)6-5-12-15(4,17-12)8-11(10)16/h12-13H,5-8H2,1-4H3/t12-,13-,14-,15-/m1/s1
SMILES: CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(C4)(OC)OC)C)C
InChI: InChI=1S/C23H38O4/c1-15(24)27-20-9-8-18-17-7-6-16-14-23(25-4,26-5)13-12-21(16,2)19(17)10-11-22(18,20)3/h16-20H,6-14H2,1-5H3/t16-,17?,18?,19?,20-,21-,22-/m0/s1
SMILES: C[C@H]1[C@H](N[C@@H](CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/t13-,17+,18+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](OCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C)O
InChI: InChI=1S/C25H37NO7S/c1-13(9-17-12-34-16(4)26-17)19-10-20-18(32-20)7-8-31-15(3)23(29)14(2)24(30)25(5,6)21(27)11-22(28)33-19/h9,12,14-15,18-21,23,27,29H,7-8,10-11H2,1-6H3/b13-9+/t14-,15-,18-,19+,20+,21+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@H]3[C@@H]2OC(O3)(C)C)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C23H28O8S/c1-14-9-11-16(12-10-14)32(26,27)31-20-18(25)17(24)19(21-22(20)30-23(2,3)29-21)28-13-15-7-5-4-6-8-15/h4-12,17-22,24-25H,13H2,1-3H3/t17-,18-,19+,20+,21-,22+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)O
InChI: InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5+,6-,9+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCOCCN=[N+]=[N-])OCC3=CC=CC=C3)O)O
InChI: InChI=1S/C24H31N3O7/c25-27-26-11-12-30-13-14-32-24-23(33-16-19-9-5-2-6-10-19)22(29)21(28)20(34-24)17-31-15-18-7-3-1-4-8-18/h1-10,20-24,28-29H,11-17H2/t20-,21-,22+,23-,24-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C23H21N3O4/c1-30-14-10-8-13(9-11-14)26-20(27)18-17-7-4-12-25(17)23(19(18)21(26)28)15-5-2-3-6-16(15)24-22(23)29/h2-3,5-6,8-11,17-19H,4,7,12H2,1H3,(H,24,29)/t17-,18-,19-,23+/m0/s1
SMILES: CC1(C2=C(C3=CC=CC=C3C=C2)N([C@@]14C=C(C=C([C@@H]4C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C)C
InChI: InChI=1S/C39H33NO/c1-38(2)34-24-23-29-19-13-14-22-32(29)36(34)40(3)39(38)26-31(27-15-7-4-8-16-27)25-33(28-17-9-5-10-18-28)35(39)37(41)30-20-11-6-12-21-30/h4-26,35H,1-3H3/t35-,39-/m1/s1
SMILES: C1CCN2CC(=O)N3CCC4=C([C@H]3[C@@H]2C1)NC5=CC=CC=C45
InChI: InChI=1S/C18H21N3O/c22-16-11-20-9-4-3-7-15(20)18-17-13(8-10-21(16)18)12-5-1-2-6-14(12)19-17/h1-2,5-6,15,18-19H,3-4,7-11H2/t15-,18+/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)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C39H36N2O6S/c1-25-35(24-48-34-17-15-30(16-18-34)38(44)45)46-39(47-36(25)29-9-7-26(23-42)8-10-29)31-13-11-28(12-14-31)32-5-2-4-27(20-32)21-41-37(43)33-6-3-19-40-22-33/h2-20,22,25,35-36,39,42H,21,23-24H2,1H3,(H,41,43)(H,44,45)/t25-,35+,36+,39+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(COC(=O)NC6=CC=CC=C6)O)N)O
InChI: InChI=1S/C32H32N2O10/c1-15-26(35)20(33)11-22(43-15)44-21-13-32(41,14-42-31(40)34-16-7-3-2-4-8-16)12-19-23(21)30(39)25-24(29(19)38)27(36)17-9-5-6-10-18(17)28(25)37/h2-10,15,20-22,26,35,38-39,41H,11-14,33H2,1H3,(H,34,40)/t15-,20-,21-,22?,26-,32-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl
InChI: InChI=1S/C17H17Cl2NO3/c1-9-4-2-3-5-14(9)20-16(21)12-7-10-6-11(18)8-13(19)15(10)23-17(12)22/h6-9,14H,2-5H2,1H3,(H,20,21)/t9-,14+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C2=C(C(=C(S2)NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)C#N)Cl
InChI: InChI=1S/C21H21ClN2OS/c1-11-3-4-12(2)15(7-11)19-18(22)17(10-23)21(26-19)24-20(25)16-9-13-5-6-14(16)8-13/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3,(H,24,25)/t13-,14-,16-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O[C@@H]3CCC[C@H]4[C@H]3[C@H](CCC4)C5=CC=CC=C5
InChI: InChI=1S/C32H35NO3/c1-22(23-12-4-2-5-13-23)33-31(34)27-18-8-9-19-28(27)32(35)36-29-21-11-17-25-16-10-20-26(30(25)29)24-14-6-3-7-15-24/h2-9,12-15,18-19,22,25-26,29-30H,10-11,16-17,20-21H2,1H3,(H,33,34)/t22-,25-,26+,29+,30-/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
InChI: InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1
SMILES: C[C@@]12CC([C@@H](CC1=O)[C@@H]3[C@H]2C(=O)OC3=O)(C)C
InChI: InChI=1S/C13H16O4/c1-12(2)5-13(3)7(14)4-6(12)8-9(13)11(16)17-10(8)15/h6,8-9H,4-5H2,1-3H3/t6-,8+,9-,13+/m0/s1
SMILES: C[C@H](CCC(=O)NCCCNCCCN=C(N)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C31H57N5O3/c1-20(6-9-27(39)35-16-4-14-34-15-5-17-36-29(32)33)23-7-8-24-28-25(11-13-31(23,24)3)30(2)12-10-22(37)18-21(30)19-26(28)38/h20-26,28,34,37-38H,4-19H2,1-3H3,(H,35,39)(H4,32,33,36)/t20-,21+,22-,23-,24+,25+,26-,28+,30+,31-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H34O9S/c1-40-28-20-18-24(19-21-28)22-42-31-30(44-34(38)26-14-8-4-9-15-26)29(23-43-33(37)25-12-6-3-7-13-25)46-36(41-2)32(31)45-35(39)27-16-10-5-11-17-27/h3-21,29-32,36H,22-23H2,1-2H3/t29-,30-,31+,32+,36+/m1/s1
SMILES: C1CN2[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O)O)O)COCC3=CC=CC=C3
InChI: InChI=1S/C15H21NO4/c17-12-6-7-16-11(14(18)15(19)13(12)16)9-20-8-10-4-2-1-3-5-10/h1-5,11-15,17-19H,6-9H2/t11-,12-,13-,14-,15-/m1/s1
SMILES: C[C@H]1[C@@H](C=CCCC(=O)O[C@@H]2[C@H]([C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@@H]2OC)OC1=O)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C32H48O9Si/c1-19(2)42(20(3)4,21(5)6)41-24-16-12-13-17-26(33)38-29-28(39-30(34)22(24)7)27-25(37-32(29)35-8)18-36-31(40-27)23-14-10-9-11-15-23/h9-12,14-16,19-22,24-25,27-29,31-32H,13,17-18H2,1-8H3/t22-,24+,25+,27+,28-,29+,31?,32-/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2CC2)C3=CC4=C(C=C3)OCO4)CCOCCOCCO
InChI: InChI=1S/C25H35NO8/c1-2-31-25-19(7-9-29-11-12-30-10-8-27)20(18-5-6-21-22(13-18)33-16-32-21)14-23(34-25)24(28)26-15-17-3-4-17/h5-6,13-14,17,19-20,25,27H,2-4,7-12,15-16H2,1H3,(H,26,28)/t19-,20+,25+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H19FN2O4/c1-30-19-13-11-17(12-14-19)26-23(28)20-21(15-7-9-16(25)10-8-15)27(31-22(20)24(26)29)18-5-3-2-4-6-18/h2-14,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CC(=O)[O-].CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C=CC=[O+]3)O
InChI: InChI=1S/C22H27O3Si.C2H4O2/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)25-17-21-20(23)15-10-16-24-21;1-2(3)4/h4-16,20-21,23H,17H2,1-3H3;1H3,(H,3,4)/q+1;/p-1/t20-,21+;/m0./s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3/t15-,18+,20-/m1/s1
SMILES: CC1=CC(=C2[C@H]3[C@H]4[C@](CC[C@@H]5C4(CCCC5(C)C)CO3)(OC2=C1)C)O
InChI: InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22?/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3)C
InChI: InChI=1S/C16H17NO4/c1-8-5-9(2)7-10(6-8)17-15(18)13-11-3-4-12(21-11)14(13)16(19)20/h3-7,11-14H,1-2H3,(H,17,18)(H,19,20)/p-1/t11-,12+,13+,14+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC3=CC=CC=C32)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C26H28N2O4S/c1-17(29)32-23-24(19-9-12-20(31-4)13-10-19)33-25-21-8-6-5-7-18(21)11-14-22(25)28(26(23)30)16-15-27(2)3/h5-14,23-24H,15-16H2,1-4H3/t23-,24+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](CN1CC2=CC=CC=C2)O)OC(=O)C(C)(C)C)O
InChI: InChI=1S/C23H35NO6/c1-22(2,3)20(27)29-14-16-18(26)19(30-21(28)23(4,5)6)17(25)13-24(16)12-15-10-8-7-9-11-15/h7-11,16-19,25-26H,12-14H2,1-6H3/t16-,17-,18-,19-/m1/s1
SMILES: CCC1/C=C(/C[C@@H](CC([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H](C(C(C1=O)C)C)C)C(=C[C@@H]4CC[C@@H]([C@@H](C4)OC)N5CCCCC5)C)O)C)OC)OC)C)\C
InChI: InChI=1S/C50H82N2O10/c1-12-38-25-30(2)24-31(3)26-42(59-10)46-43(60-11)28-33(5)50(57,62-46)47(54)48(55)52-23-17-14-18-40(52)49(56)61-45(36(8)34(6)35(7)44(38)53)32(4)27-37-19-20-39(41(29-37)58-9)51-21-15-13-16-22-51/h25,27,31,33-43,45-46,57H,12-24,26,28-29H2,1-11H3/b30-25+,32-27?/t31-,33+,34?,35?,36+,37-,38?,39-,40-,41+,42?,43-,45+,46+,50+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)O)O
InChI: InChI=1S/C19H22O4S/c1-13-16(20)17(21)18(22-12-14-8-4-2-5-9-14)19(23-13)24-15-10-6-3-7-11-15/h2-11,13,16-21H,12H2,1H3/t13-,16-,17+,18+,19-/m0/s1
SMILES: C#CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H12N2O6/c1-2-5-3-7(15)12-11(18)13(5)10-9(17)8(16)6(4-14)19-10/h1,3,6,8-10,14,16-17H,4H2,(H,12,15,18)/t6-,8-,9-,10-/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)C(C#N)NCC2=CC=C(C=C2)OC)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C22H36N2O4Si/c1-21(2,3)29(7,8)26-15-19-20(28-22(4,5)27-19)18(13-23)24-14-16-9-11-17(25-6)12-10-16/h9-12,18-20,24H,14-15H2,1-8H3/t18?,19-,20-/m1/s1
SMILES: CC[C@]1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)C3=CC=CC=C3
InChI: InChI=1S/C22H29N3O5/c1-3-22(16-10-5-4-6-11-16)20(28)25(21(29)24-22)13-19(27)30-14-18(26)23-17-12-8-7-9-15(17)2/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3,(H,23,26)(H,24,29)/t15-,17+,22+/m0/s1
SMILES: COC1=C(C2=CC=CC=C2C=C1)[S@](=O)C3=CC(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C22H18O4S/c1-26-17-9-8-12-4-2-3-5-15(12)22(17)27(25)18-11-16(23)19-13-6-7-14(10-13)20(19)21(18)24/h2-9,11,13-14,19-20H,10H2,1H3/t13-,14+,19+,20+,27+/m0/s1
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC[C@H]3CCCN4[C@@H]3CCCC4
InChI: InChI=1S/C21H25ClN2O3/c1-14-19(20(23-27-14)16-8-2-3-9-17(16)22)21(25)26-13-15-7-6-12-24-11-5-4-10-18(15)24/h2-3,8-9,15,18H,4-7,10-13H2,1H3/t15-,18-/m1/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3F
InChI: InChI=1S/C14H15FN2O4S2/c1-21-6-13(18)16-14-17(10-5-3-2-4-9(10)15)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCC5=CC6=C(C=C5)OCO6)CO3
InChI: InChI=1S/C23H29NO5/c1-22-5-2-6-23(12-28-23)20(22)8-15-16(21(25)29-19(15)9-22)11-24-10-14-3-4-17-18(7-14)27-13-26-17/h3-4,7,15-16,19-20,24H,2,5-6,8-13H2,1H3/t15-,16+,19-,20-,22-,23+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15-,16+,17+,19+,20-,21+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H33N3O8SSi/c1-12-9-23(18(25)22(5)16(12)24)17-15(30-33(7,8)19(2,3)4)20(14(29-17)10-28-6)13(21)11-32(26,27)31-20/h9,11,14-15,17H,10,21H2,1-8H3/t14-,15+,17-,20?/m1/s1
SMILES: CCCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(CC([C@H](C4C1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C
InChI: InChI=1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)/b12-9+,18-11+/t19-,23?,24-,25+,29?,31?,32+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@]1(C(=O)CO)O)C)O)F)C
InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22-/m1/s1
SMILES: CC(C)(C)C1=NC(=NC=C1)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C25H29N5O3/c1-25(2,3)20-11-12-26-23(30-20)27-18-13-32-22-19(14-33-21(18)22)29-24(31)28-17-10-6-8-15-7-4-5-9-16(15)17/h4-12,18-19,21-22H,13-14H2,1-3H3,(H,26,27,30)(H2,28,29,31)/t18-,19-,21+,22+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)SC5=CC=CC=C5CCl
InChI: InChI=1S/C30H27ClN2O5S2/c1-37-22-13-11-20(12-14-22)17-38-30(36)27-24(40-23-10-6-5-9-21(23)16-31)18-39-29-26(28(35)33(27)29)32-25(34)15-19-7-3-2-4-8-19/h2-14,26,29H,15-18H2,1H3,(H,32,34)/t26-,29-/m1/s1
SMILES: CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)N(C)CCCN(CC2=CC=CC=C2C(=O)NC(C3=CC=CC=C3)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O)C(=O)C6=C(C(=CC=C6)OC(=O)C)OC(=O)C
InChI: InChI=1S/C50H51N5O15S/c1-27(56)67-36-22-13-20-34(40(36)69-29(3)58)45(62)53(7)24-15-25-54(46(63)35-21-14-23-37(68-28(2)57)41(35)70-30(4)59)26-32-18-11-12-19-33(32)43(60)51-38(31-16-9-8-10-17-31)44(61)52-39-47(64)55-42(49(65)66)50(5,6)71-48(39)55/h8-14,16-23,38-39,42,48H,15,24-26H2,1-7H3,(H,51,60)(H,52,61)(H,65,66)/t38?,39-,42+,48-/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4)N=N1
InChI: InChI=1S/C20H26N4O3/c1-2-24-18-10-9-15(12-16(18)21-22-24)20(26)27-13-19(25)23-11-5-7-14-6-3-4-8-17(14)23/h9-10,12,14,17H,2-8,11,13H2,1H3/t14-,17+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)Cl)O
InChI: InChI=1S/C29H20BrCl2NO6/c1-39-22-9-12(8-20(32)27(22)36)23-15-6-7-16-24(17(15)10-18-25(23)21(34)11-19(30)26(18)35)29(38)33(28(16)37)14-4-2-13(31)3-5-14/h2-6,8-9,11,16-17,23-24,36H,7,10H2,1H3/t16-,17+,23-,24-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO[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)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI: InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37?,38-,39-,42+,43+,44+,45+,46-,47-,48-,49-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=S)N[C@H]3[C@@H]([C@@]2(OC4=CC=CC=C34)C)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C25H23N3O2S/c1-16-12-14-18(15-13-16)28-24(31)27-22-19-10-6-7-11-20(19)30-25(28,2)21(22)23(29)26-17-8-4-3-5-9-17/h3-15,21-22H,1-2H3,(H,26,29)(H,27,31)/t21-,22-,25+/m1/s1
SMILES: CCCCNC(=O)C1=C(N(C=N1)[C@H]2C[C@@H]([C@H](S2)CO)O)C(=O)NCCCC
InChI: InChI=1S/C18H30N4O4S/c1-3-5-7-19-17(25)15-16(18(26)20-8-6-4-2)22(11-21-15)14-9-12(24)13(10-23)27-14/h11-14,23-24H,3-10H2,1-2H3,(H,19,25)(H,20,26)/t12-,13+,14+/m0/s1
SMILES: CCOC1=CC=CC2=C1O[C@]3([C@H]([C@H]2NC(=S)N3)C(=O)OCC)C4=CC=CC=C4
InChI: InChI=1S/C21H22N2O4S/c1-3-25-15-12-8-11-14-17-16(19(24)26-4-2)21(27-18(14)15,23-20(28)22-17)13-9-6-5-7-10-13/h5-12,16-17H,3-4H2,1-2H3,(H2,22,23,28)/t16-,17+,21+/m1/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)OCC(C(F)F)(F)F
InChI: InChI=1S/C18H16F4N2O3S/c19-16(20)18(21,22)9-27-15(26)11-6-2-1-5-10(11)14(25)24-17-23-12-7-3-4-8-13(12)28-17/h1-4,7-8,10-11,16H,5-6,9H2,(H,23,24,25)/t10-,11+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C
InChI: InChI=1S/C19H25N3O4/c1-10-7-5-6-8-19(10)17(25)22(18(26)21-19)9-14(24)16-11(2)15(13(4)23)12(3)20-16/h10,20H,5-9H2,1-4H3,(H,21,26)/t10-,19+/m1/s1
SMILES: CCC1[C@@H](CC(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@@H]1O)O
InChI: InChI=1S/C28H48O3/c1-6-22-25(29)17-20(18-26(22)30)11-12-21-10-8-16-28(5)23(13-14-24(21)28)19(2)9-7-15-27(3,4)31/h11-12,19,22-26,29-31H,6-10,13-18H2,1-5H3/b20-11?,21-12+/t19-,22?,23-,24+,25-,26+,28-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2OC(=O)C3=CC=CC=C3)C)OC)OC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C27H32O9/c1-16-24(28)20(35-26(29)18-10-6-4-7-11-18)14-23(32-16)34-21-15-22(31-3)33-17(2)25(21)36-27(30)19-12-8-5-9-13-19/h4-13,16-17,20-25,28H,14-15H2,1-3H3/t16-,17-,20+,21-,22-,23+,24-,25-/m1/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)CNC(=O)CCC(=O)O)CSC4=NN=NN4C
InChI: InChI=1S/C26H31N5O6S/c1-16-21(15-38-26-28-29-30-31(26)2)36-25(37-24(16)19-7-5-18(14-32)6-8-19)20-9-3-17(4-10-20)13-27-22(33)11-12-23(34)35/h3-10,16,21,24-25,32H,11-15H2,1-2H3,(H,27,33)(H,34,35)/t16-,21+,24+,25+/m1/s1
SMILES: COC(=O)CCC/C=C\C[C@@H]1[C@@H](C[C@H]([C@@H]1C=O)OC2CCCCO2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C26H34O7/c1-30-24(28)14-8-3-2-7-13-20-21(18-27)23(32-25-15-9-10-16-31-25)17-22(20)33-26(29)19-11-5-4-6-12-19/h2,4-7,11-12,18,20-23,25H,3,8-10,13-17H2,1H3/b7-2-/t20-,21+,22+,23+,25?/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C36H26BrNO7/c1-45-21-11-14-28(39)25(15-21)30-22-12-13-23-31(24(22)16-26-32(30)29(40)17-27(37)34(26)42)36(44)38(35(23)43)20-9-7-19(8-10-20)33(41)18-5-3-2-4-6-18/h2-12,14-15,17,23-24,30-31,39H,13,16H2,1H3/t23-,24+,30+,31-/m0/s1
SMILES: C[C@H](CCC(C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C
InChI: InChI=1S/C32H52O3/c1-20(2)24(34)10-9-21(3)23-13-15-30(8)26-12-11-25-28(5,6)27(35-22(4)33)14-16-31(25)19-32(26,31)18-17-29(23,30)7/h21,23-27,34H,1,9-19H2,2-8H3/t21-,23-,24?,25+,26+,27+,29-,30+,31-,32+/m1/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@@H]3C[C@@H]2C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O4S/c22-21(23)17-3-5-18(6-4-17)26(24,25)20-9-7-19(8-10-20)13-16-12-14-1-2-15(16)11-14/h1-6,14-16H,7-13H2/t14-,15-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C=CC7=CC(=C(C(=C7)OC)O)OC)C(=O)N(C5=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C49H50N4O7/c1-30-14-17-34(18-15-30)50-53-46(56)40-28-38-36(19-20-37-43(38)47(57)52(45(37)55)35-22-24-51(25-23-35)29-31-10-6-4-7-11-31)39(49(40,48(53)58)33-12-8-5-9-13-33)21-16-32-26-41(59-2)44(54)42(27-32)60-3/h4-19,21,26-27,35,37-40,43,50,54H,20,22-25,28-29H2,1-3H3/t37-,38+,39-,40-,43-,49-/m0/s1
SMILES: CC1=C(C(=O)[C@@H]2[C@H]([C@@]3([C@@H]4[C@H]5N4[C@@]2(C1=O)N3C5)OC)COC(=O)N)OC
InChI: InChI=1S/C16H19N3O6/c1-6-11(23-2)10(20)9-7(5-25-14(17)22)16(24-3)12-8-4-18(16)15(9,13(6)21)19(8)12/h7-9,12H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,9+,12+,15+,16+,19?/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3CN(C[C@@H]3CC2)CCN4C(=O)C5=C(C6=CC=CC=C6S5)[NH2+]C4=O.[Cl-]
InChI: InChI=1S/C25H25N3O3S.ClH/c1-31-17-8-9-18-15(12-17)6-7-16-13-27(14-20(16)18)10-11-28-24(29)23-22(26-25(28)30)19-4-2-3-5-21(19)32-23;/h2-5,8-9,12,16,20H,6-7,10-11,13-14H2,1H3,(H,26,30);1H/t16-,20+;/m0./s1
SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)O)C
InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
SMILES: CCCO[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3C(=O)C[C@@H]2C1)CC[C@@H]4OCCC)C)C
InChI: InChI=1S/C25H42O3/c1-5-13-27-18-9-11-24(3)17(15-18)16-21(26)23-19-7-8-22(28-14-6-2)25(19,4)12-10-20(23)24/h17-20,22-23H,5-16H2,1-4H3/t17-,18+,19+,20+,22-,23-,24-,25+/m0/s1
SMILES: C[C@H](/C=C/CC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h6,8,10-11,18,22-25,28-30H,2,7,9,12-17H2,1,3-5H3/b8-6+,20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O
InChI: InChI=1S/C24H22N2O5/c1-13(26-23(28)15-8-3-4-9-16(15)24(26)29)22(27)25-18-12-20-17(11-21(18)30-2)14-7-5-6-10-19(14)31-20/h3-7,10-13,15-16H,8-9H2,1-2H3,(H,25,27)/t13-,15+,16+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H24N2O4/c1-15-12-19(15)23(27)29-14-22(26)25-21(17-8-10-18(28-2)11-9-17)13-20(24-25)16-6-4-3-5-7-16/h3-11,15,19,21H,12-14H2,1-2H3/t15-,19+,21-/m0/s1
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@H]4CCCC(=O)O4)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C27H43NO10/c1-14-12-27(33-7,38-16(3)15(14)2)22(30)24(31)28-25-21-20(34-13-35-25)23(32-6)26(4,5)18(37-21)11-17-9-8-10-19(29)36-17/h15-18,20-23,25,30H,1,8-13H2,2-7H3,(H,28,31)/t15-,16-,17-,18-,20+,21+,22-,23-,25+,27-/m1/s1
SMILES: CCOC(=O)C1=C(N2[C@@H]3[C@H](C4=CC=CC=C4[C@H]1N3)C5=CC=CC=C52)C6=CC=CC=C6
InChI: InChI=1S/C26H22N2O2/c1-2-30-26(29)22-23-18-13-7-6-12-17(18)21-19-14-8-9-15-20(19)28(25(21)27-23)24(22)16-10-4-3-5-11-16/h3-15,21,23,25,27H,2H2,1H3/t21-,23-,25-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@H]1/C=C/[C@H](COC2=CC=CC=C2)O)CC=C=CCCC(=O)OC
InChI: InChI=1S/C24H30O5/c1-18-16-23(26)22(12-8-3-4-9-13-24(27)28-2)21(18)15-14-19(25)17-29-20-10-6-5-7-11-20/h4-8,10-11,14-15,18-19,21-22,25H,9,12-13,16-17H2,1-2H3/b15-14+/t3?,18-,19-,21+,22-/m1/s1
SMILES: CC1(OC[C@@]2(O1)[C@H]3[C@@H]([C@@H](C2(OC)OC)CO)OC(O3)(C)C)C
InChI: InChI=1S/C15H26O7/c1-12(2)19-8-14(22-12)11-10(20-13(3,4)21-11)9(7-16)15(14,17-5)18-6/h9-11,16H,7-8H2,1-6H3/t9-,10+,11+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@]23[C@@H]4C=CC[C@@H]4[C@]2(C3(C)C)C5=CC=C(C=C5)C(=O)OC
InChI: InChI=1S/C25H26O2/c1-16-8-12-18(13-9-16)24-20-6-5-7-21(20)25(24,23(24,2)3)19-14-10-17(11-15-19)22(26)27-4/h5-6,8-15,20-21H,7H2,1-4H3/t20-,21+,24-,25+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO
InChI: InChI=1S/C25H28N2O4/c1-14-6-5-9-20(15(14)2)27-25(31)19-11-10-18-21(22(19)26-12-13-28)24(30)17-8-4-3-7-16(17)23(18)29/h3-4,7-8,10-11,14-15,20,26,28H,5-6,9,12-13H2,1-2H3,(H,27,31)/t14-,15-,20-/m0/s1
SMILES: C[C@]12CCC34CC35CC[C@@H](C(C5[C@H](CC4[C@@]1(CC(C2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
InChI: InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19?,20-,21+,22-,23?,24+,25+,26+,27-,28+,29-,30-,31?,32?,33+,34-,37-,38+,39-,40?,41?/m1/s1
SMILES: CC[C@H]([C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CO[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C
InChI: InChI=1S/C28H50O5/c1-7-17(15(2)3)26(32)25(31)16(4)19-8-9-20-18-14-33-24-12-22(29)23(30)13-28(24,6)21(18)10-11-27(19,20)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
SMILES: CO/C=C/[C@H]([C@@H](C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C47H49NO8/c1-49-28-27-41(51-31-37-19-9-3-10-20-37)42(29-48)55-47-46(54-34-40-25-15-6-16-26-40)45(53-33-39-23-13-5-14-24-39)44(52-32-38-21-11-4-12-22-38)43(56-47)35-50-30-36-17-7-2-8-18-36/h2-28,41-47H,30-35H2,1H3/b28-27+/t41-,42-,43-,44-,45+,46-,47-/m1/s1
SMILES: CN1CC[C@]([C@@H](C1)C(C2=C(C=C(C=C2)Cl)Cl)O)(C3=C(C=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C19H19Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,18,25-26H,6-7,10H2,1H3/t15-,18?,19+/m0/s1