EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N(C)C(=O)NCCCN5CCCC5=O
InChI: InChI=1S/C43H64N4O8/c1-7-25-52-31-18-19-36-34(28-31)39-32(16-10-12-24-49)30(15-9-11-23-48)27-33-35(45-55-42(3,4)5)29-37(43(54-36,40(33)39)53-26-8-2)46(6)41(51)44-20-14-22-47-21-13-17-38(47)50/h7-8,18-19,27-28,30,32,37,39-40,48-49H,1-2,9-17,20-26,29H2,3-6H3,(H,44,51)/t30-,32+,37-,39+,40+,43+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)O[C@H]3CCC[C@H](C(=O)N3C2(C)C)C
InChI: InChI=1S/C17H29NO2/c1-11-8-9-13-14(10-11)20-15-7-5-6-12(2)16(19)18(15)17(13,3)4/h11-15H,5-10H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@@]4([C@@H]2C(=O)N(C4)C5=CC(=CC=C5)OC)O3
InChI: InChI=1S/C25H26N2O4/c1-15(2)16-7-9-17(10-8-16)26-23(28)21-20-11-12-25(31-20)14-27(24(29)22(21)25)18-5-4-6-19(13-18)30-3/h4-13,15,20-22H,14H2,1-3H3,(H,26,28)/t20-,21-,22+,25-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)C(=C(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)Cl)Cl)Cl)N5N1C(=O)N(C5=O)C6=CC=CC=C6
InChI: InChI=1S/C26H17Cl4N3O5/c27-19-20(28)22(36)26(30)18(15-8-4-5-9-17(15)34)14-10-11-31-23(37)32(13-6-2-1-3-7-13)24(38)33(31)16(14)12-25(26,29)21(19)35/h1-10,16,18,34H,11-12H2/t16-,18-,25-,26+/m1/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C51H44N4O14/c1-65-46(58)37(47(59)66-2)18-9-11-30-21-24-39-38(27-30)51(49(61)53(39)50(62)68-29-31-19-22-35(23-20-31)55(63)64)40(45(52)57)42-48(60)69-43(33-14-7-4-8-15-33)41(32-12-5-3-6-13-32)54(42)44(51)34-16-10-17-36(28-34)67-26-25-56/h3-8,10,12-17,19-24,27-28,37,40-44,56H,18,25-26,29H2,1-2H3,(H2,52,57)/t40-,41-,42-,43+,44+,51-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)ON2C5=CC=CC=C5
InChI: InChI=1S/C26H24N2O3/c1-16-9-12-19(13-10-16)23-22-24(31-28(23)20-7-5-4-6-8-20)26(30)27(25(22)29)21-14-11-17(2)18(3)15-21/h4-15,22-24H,1-3H3/t22-,23-,24+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@H](NC[C@@H](C[C@]2(C)O)C)C)C3=CC=NN3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O)N(C)C
InChI: InChI=1S/C35H62N4O10/c1-18-15-34(7,43)31(49-33-27(40)25(39(9)10)14-19(2)45-33)20(3)28(47-26-16-35(8,44-11)30(41)23(6)46-26)21(4)32(42)48-29(22(5)36-17-18)24-12-13-37-38-24/h12-13,18-23,25-31,33,36,40-41,43H,14-17H2,1-11H3,(H,37,38)/t18-,19-,20+,21-,22+,23+,25+,26+,27-,28+,29+,30+,31-,33+,34+,35-/m1/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)NC4=CC=CC=N4
InChI: InChI=1S/C23H24N4O2/c1-14-19(22(29)27-18-6-4-5-9-25-18)20(15-7-10-24-11-8-15)21-16(26-14)12-23(2,3)13-17(21)28/h4-11,20-21H,12-13H2,1-3H3,(H,25,27,29)/t20-,21-/m1/s1
SMILES: C1CC(=O)[C@H]([C@@H]([C@H]([C@@H]1N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C43H43NO6/c45-39-27-26-38(44(28-33-16-6-1-7-17-33)43(46)50-32-37-24-14-5-15-25-37)40(47-29-34-18-8-2-9-19-34)42(49-31-36-22-12-4-13-23-36)41(39)48-30-35-20-10-3-11-21-35/h1-25,38,40-42H,26-32H2/t38-,40+,41-,42-/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]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C)O)O)C(C)C
InChI: InChI=1S/C29H48O3/c1-7-19(17(2)3)27(32)26(31)18(4)21-11-12-22-20-16-25(30)24-10-8-9-14-28(24,5)23(20)13-15-29(21,22)6/h8-9,17-24,26-27,31-32H,7,10-16H2,1-6H3/t18-,19-,20-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
SMILES: COC1=CC=CC(=C1)C(=O)COC2=CC=CC=C2N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C24H21NO5/c1-29-17-6-4-5-14(12-17)19(26)13-30-20-8-3-2-7-18(20)25-23(27)21-15-9-10-16(11-15)22(21)24(25)28/h2-10,12,15-16,21-22H,11,13H2,1H3/t15-,16+,21-,22-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)Br
InChI: InChI=1S/C18H15BrClN/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(20)18(15)21-17/h1-3,5-10,13-14,17,21H,4H2/t13-,14+,17+/m0/s1
SMILES: CC1[C@H]2[C@@H]1C(=NN=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H14Cl2N2/c1-10-15-16(10)18(12-4-8-14(20)9-5-12)22-21-17(15)11-2-6-13(19)7-3-11/h2-10,15-16H,1H3/t10?,15-,16+
SMILES: C1=CC=C(C=C1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C43H38O10/c44-39(31-20-8-2-9-21-31)49-29-35-36(51-40(45)32-22-10-3-11-23-32)37(52-41(46)33-24-12-4-13-25-33)38(53-42(47)34-26-14-5-15-27-34)43(50-35)48-28-16-19-30-17-6-1-7-18-30/h1-15,17-18,20-27,35-38,43H,16,19,28-29H2/t35-,36-,37+,38-,43-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC(=O)[C@@H]4[C@H]3CC(=C[C@H]4OC)OC
InChI: InChI=1S/C27H34O4Si/c1-27(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)31-24-18-23(28)26-22(24)16-19(29-4)17-25(26)30-5/h6-15,17,22,24-26H,16,18H2,1-5H3/t22-,24-,25+,26-/m0/s1
SMILES: CC1(O[C@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)O)C
InChI: InChI=1S/C23H24O8/c1-23(2)30-18-16(25)15(24)17(28-21(26)13-9-5-3-6-10-13)19(20(18)31-23)29-22(27)14-11-7-4-8-12-14/h3-12,15-20,24-25H,1-2H3/t15-,16-,17+,18-,19-,20-/m0/s1
SMILES: CCOC(=O)CCCC[C@H]1[C@@H]2[C@@H]([15NH]C(=S)N2C3(S1)CCCCC3)C(=O)OCC
InChI: InChI=1S/C20H32N2O4S2/c1-3-25-15(23)11-7-6-10-14-17-16(18(24)26-4-2)21-19(27)22(17)20(28-14)12-8-5-9-13-20/h14,16-17H,3-13H2,1-2H3,(H,21,27)/t14-,16+,17+/m0/s1/i21+1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NCC(=O)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H53N3O10SSi2/c1-23-19-37(31(40)36(8)29(23)39)30-28(46-50(11,12)33(5,6)7)34(26(45-30)21-44-49(9,10)32(2,3)4)25(22-48(41,42)47-34)35-18-27(38)43-20-24-16-14-13-15-17-24/h13-17,19,22,26,28,30,35H,18,20-21H2,1-12H3/t26-,28+,30-,34-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CC2=C(C=CC(=C2)C(=O)C)OC
InChI: InChI=1S/C20H27NO5/c1-13-6-4-5-7-17(13)21-19(23)12-26-20(24)11-16-10-15(14(2)22)8-9-18(16)25-3/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,21,23)/t13-,17-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3C[C@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O
InChI: InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13-,14+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C20H29NO5/c1-12-7-6-8-16(13(12)2)21-19(22)14(3)26-20(23)15-9-10-17(24-4)18(11-15)25-5/h9-14,16H,6-8H2,1-5H3,(H,21,22)/t12-,13+,14+,16-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C17H16F2N2O4/c18-17(19)25-11-7-5-10(6-8-11)20-14(22)9-21-15(23)12-3-1-2-4-13(12)16(21)24/h1-2,5-8,12-13,17H,3-4,9H2,(H,20,22)/t12-,13+
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC(=C(C=C2Br)O)OC
InChI: InChI=1S/C15H17BrN2O4S/c1-4-22-14(20)12-7(2)17-15(23)18-13(12)8-5-11(21-3)10(19)6-9(8)16/h5-6,12-13,19H,2,4H2,1,3H3,(H2,17,18,23)/t12-,13+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@@H](O3)C5=CC(=CC=C5)Br)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C26H15BrN2O7/c27-14-5-3-4-13(12-14)21-19-20(26(36-21)22(30)17-6-1-2-7-18(17)23(26)31)25(33)28(24(19)32)15-8-10-16(11-9-15)29(34)35/h1-12,19-21H/t19-,20-,21-/m0/s1
SMILES: CCCCCCCCCCCCOCCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)C(=O)O)NCCC(CCCCCCCCCCC)O)OCCC(CCCCCCCCCCC)O)O)NC(=O)C
InChI: InChI=1S/C70H137N2O17P/c1-6-9-12-15-18-21-28-33-38-43-51-83-52-44-39-34-29-24-22-23-25-30-35-40-45-53-84-67-63(72-57(4)73)70(88-61(55-82-5)65(67)89-90(79,80)81)86-56-60-64(76)66(85-54-49-59(75)47-42-37-32-27-20-17-14-11-8-3)62(68(87-60)69(77)78)71-50-48-58(74)46-41-36-31-26-19-16-13-10-7-2/h58-68,70-71,74-76H,6-56H2,1-5H3,(H,72,73)(H,77,78)(H2,79,80,81)/t58?,59?,60-,61-,62-,63-,64-,65-,66-,67-,68+,70-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCCC(=O)O)C5=C(C=CC(=C5)Br)O
InChI: InChI=1S/C27H24BrNO7/c1-12-9-20(31)18-11-16-14(22(24(18)25(12)34)17-10-13(28)4-7-19(17)30)5-6-15-23(16)27(36)29(26(15)35)8-2-3-21(32)33/h4-5,7,9-10,15-16,22-23,30H,2-3,6,8,11H2,1H3,(H,32,33)/t15-,16+,22+,23-/m0/s1
SMILES: C/C=C/COC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)Br)O)OC
InChI: InChI=1S/C17H19BrN2O5/c1-4-5-6-25-16(22)13-9(2)19-17(23)20-14(13)10-7-11(18)15(21)12(8-10)24-3/h4-5,7-8,13-14,21H,2,6H2,1,3H3,(H2,19,20,23)/b5-4+/t13-,14+/m0/s1
SMILES: CC(C)(C)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2OCCC3)C4=CC=CC=C4F
InChI: InChI=1S/C22H26FNO/c1-22(2,3)14-10-11-19-17(13-14)21-16(8-6-12-25-21)20(24-19)15-7-4-5-9-18(15)23/h4-5,7,9-11,13,16,20-21,24H,6,8,12H2,1-3H3/t16-,20-,21-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)COCC3=CC=CC=C3)CO)N
InChI: InChI=1S/C17H21N3O5/c18-13-6-15(25-14(13)8-21)20-7-12(16(22)19-17(20)23)10-24-9-11-4-2-1-3-5-11/h1-5,7,13-15,21H,6,8-10,18H2,(H,19,22,23)/t13-,14+,15-/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H22N2O3/c1-2-15-9-3-7-13-19(15)24-21(26)18-12-6-8-14-20(18)25-22(27)16-10-4-5-11-17(16)23(25)28/h3-9,12-14,16-17H,2,10-11H2,1H3,(H,24,26)/t16-,17+
SMILES: CC1=CC=C(O1)C2=CC(=CC=C2)NC(=O)[C@@H]3[C@@H]4C[C@H]([C@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C20H19NO4/c1-11-5-8-16(25-11)12-3-2-4-15(10-12)21-19(22)17-13-6-7-14(9-13)18(17)20(23)24/h2-8,10,13-14,17-18H,9H2,1H3,(H,21,22)(H,23,24)/p-1/t13-,14+,17+,18+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OC)OC
InChI: InChI=1S/C14H25NO9/c1-7(17)15-10-9(21-2)5-14(23-4,13(20)22-3)24-12(10)11(19)8(18)6-16/h8-12,16,18-19H,5-6H2,1-4H3,(H,15,17)/t8-,9+,10-,11-,12-,14-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1=C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C
InChI: InChI=1S/C14H15F3N2O3/c1-7-4-3-5-9(6-7)11-10(8(2)20)13(22,14(15,16)17)19-12(21)18-11/h3-6,10-11,22H,1-2H3,(H2,18,19,21)/t10-,11-,13-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)I)O
InChI: InChI=1S/C39H30ClIN2O6/c1-49-26-14-15-28(32(44)19-26)34-27-16-17-29-33(37(47)42(35(29)45)24-12-10-23(41)11-13-24)30(27)20-31-36(46)43(25-9-5-8-22(40)18-25)38(48)39(31,34)21-6-3-2-4-7-21/h2-16,18-19,29-31,33-34,44H,17,20H2,1H3/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: CC(=O)OC[C@@]12CC[C@@H]([C@@]34[C@@H]1[C@@H]([C@](C3N=C2)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC
InChI: InChI=1S/C25H37NO8/c1-12(27)34-11-22-7-6-16(31-3)24-14-8-13-15(30-2)9-23(28,17(14)18(13)32-4)25(29,21(24)26-10-22)20(33-5)19(22)24/h10,13-21,28-29H,6-9,11H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25+/m1/s1
SMILES: CCOC1=CC=CC(=C1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CC(C3)(C)C)C)C(=O)OCCOC
InChI: InChI=1S/C24H31NO5/c1-6-29-17-9-7-8-16(12-17)21-20(23(27)30-11-10-28-5)15(2)25-18-13-24(3,4)14-19(26)22(18)21/h7-9,12,20-21H,6,10-11,13-14H2,1-5H3/t20-,21-/m1/s1
SMILES: CC(=O)OC[C@@]1(CCCC2([C@@H]1C=O)COC(=O)C34[C@H]2[C@@H](C[C@H](C3)C(=C)C4=O)O)C
InChI: InChI=1S/C22H28O7/c1-12-14-7-15(25)17-21(11-29-19(27)22(17,8-14)18(12)26)6-4-5-20(3,16(21)9-23)10-28-13(2)24/h9,14-17,25H,1,4-8,10-11H2,2-3H3/t14-,15-,16-,17+,20+,21?,22?/m1/s1
SMILES: CC1=CC(=O)OC2=C3[C@H]([C@H](C(OC3=C(C=C12)OC)(C)C)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C
InChI: InChI=1S/C36H42O12/c1-17-15-20(37)43-22-18(17)16-19(42-10)23-21(22)24(44-28(40)35-13-11-33(8,26(38)47-35)31(35,4)5)25(30(2,3)46-23)45-29(41)36-14-12-34(9,27(39)48-36)32(36,6)7/h15-16,24-25H,11-14H2,1-10H3/t24-,25-,33?,34?,35?,36?/m1/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)C7=CC(=C(C=C7)OC)O)C(=O)N(C5=O)C(C)(C)C
InChI: InChI=1S/C38H39N3O6/c1-21-11-14-24(15-12-21)39-41-34(44)28-20-27-25(16-17-26-31(27)35(45)40(33(26)43)37(2,3)4)32(22-13-18-30(47-5)29(42)19-22)38(28,36(41)46)23-9-7-6-8-10-23/h6-16,18-19,26-28,31-32,39,42H,17,20H2,1-5H3/t26-,27+,28-,31-,32-,38+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2NCC3=CC=CO3
InChI: InChI=1S/C22H28N2O4/c1-15-8-3-5-11-19(15)24-21(25)16(2)28-22(26)18-10-4-6-12-20(18)23-14-17-9-7-13-27-17/h4,6-7,9-10,12-13,15-16,19,23H,3,5,8,11,14H2,1-2H3,(H,24,25)/t15-,16-,19+/m1/s1
SMILES: C1=CC=C(C=C1)COC(=O)N[C@H]2[C@H](NC2=O)CSC(CC(=O)O)C(=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C24H23N3O10S/c28-19(29)10-18(21(30)23(32)36-11-15-6-8-16(9-7-15)27(34)35)38-13-17-20(22(31)25-17)26-24(33)37-12-14-4-2-1-3-5-14/h1-9,17-18,20H,10-13H2,(H,25,31)(H,26,33)(H,28,29)/t17-,18?,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]2[C@@H](CCCC3)I
InChI: InChI=1S/C14H18INO2S/c1-10-6-8-11(9-7-10)19(17,18)16-13-5-3-2-4-12(15)14(13)16/h6-9,12-14H,2-5H2,1H3/t12-,13-,14+,16?/m1/s1
SMILES: CC1[C@@H]2[C@H](C[C@]3([C@@H](O3)[C@@H]([C@H](C4=C[C@H]2OC4=O)N(C)C)OC(=O)C5=CC6=CC=CC=C6S5)C)OC1=O
InChI: InChI=1S/C26H27NO7S/c1-12-19-15-10-14(24(29)31-15)20(27(3)4)21(22-26(2,34-22)11-16(19)32-23(12)28)33-25(30)18-9-13-7-5-6-8-17(13)35-18/h5-10,12,15-16,19-22H,11H2,1-4H3/t12?,15-,16+,19+,20+,21-,22+,26+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]3CCN4[C@@H]3[C@H](CCCC4=O)[C@H]([C@@H]2OC1=O)CC=C
InChI: InChI=1S/C18H25NO3/c1-3-5-12-11-6-4-7-14(20)19-9-8-13(16(11)19)15-10(2)18(21)22-17(12)15/h3,10-13,15-17H,1,4-9H2,2H3/t10-,11+,12+,13+,15+,16+,17-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3C2[C@H](C[C@]4([C@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
InChI: InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19+,21?,22+,23-,24-/m1/s1
SMILES: C[C@@]1(CC[C@H]1O[Si](C)(C)C(C)(C)C)[C@]2(CCC(C=C2)(C)O)CCOCOC
InChI: InChI=1S/C22H42O4Si/c1-19(2,3)27(7,8)26-18-9-10-21(18,5)22(15-16-25-17-24-6)13-11-20(4,23)12-14-22/h11,13,18,23H,9-10,12,14-17H2,1-8H3/t18-,20?,21+,22-/m1/s1
SMILES: CC1(O[C@@H](C[C@@H](O1)CCO)CC[C@H]([C@H]2C[C@H](OC(O2)(C)C)C[C@@]3(C[C@@H]([C@H]([C@@H](O3)CC(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C41H78O13Si2/c1-37(2,3)55(14,15)53-30(19-18-27-22-28(20-21-42)49-39(7,8)48-27)31-23-29(50-40(9,10)51-31)25-41(47-13)26-33(54-56(16,17)38(4,5)6)35(36(44)46-12)32(52-41)24-34(43)45-11/h27-33,35,42H,18-26H2,1-17H3/t27-,28+,29+,30-,31-,32+,33+,35+,41-/m1/s1
SMILES: CCCN1C(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2CCCC4)C(=O)NC1=O
InChI: InChI=1S/C19H22N4O5/c1-2-8-22-17(25)19(16(24)20-18(22)26)11-12-10-13(23(27)28)6-7-14(12)21-9-4-3-5-15(19)21/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,20,24,26)/t15-,19+/m1/s1
SMILES: CC(C)CCC[C@@]1([C@H](CC23C[C@@H](OC2=C(C(=O)C1(C3=O)C(=O)C(C)C)CCC(C)C)C(C)(C)O)CCC(C)C)C
InChI: InChI=1S/C35H58O5/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h21-25,27,39H,12-20H2,1-11H3/t25-,27+,33+,34?,35?/m0/s1
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(=CC=C4)NC(=O)CCCCCCC(=O)O)C5=CC=C(C=C5)CO
InChI: InChI=1S/C40H57N3O7/c1-40(2,3)42-38(48)34-22-21-28-11-8-9-14-33(28)43(34)25-32-24-35(29-19-17-27(26-44)18-20-29)50-39(49-32)30-12-10-13-31(23-30)41-36(45)15-6-4-5-7-16-37(46)47/h10,12-13,17-20,23,28,32-35,39,44H,4-9,11,14-16,21-22,24-26H2,1-3H3,(H,41,45)(H,42,48)(H,46,47)/t28-,32+,33-,34-,35-,39-/m1/s1
SMILES: CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-3-16-12-21(26)29-22-15(2)19(8-7-18(16)22)28-14-20(25)24-11-10-23(27)9-5-4-6-17(23)13-24/h7-8,12,17,27H,3-6,9-11,13-14H2,1-2H3/t17-,23-/m1/s1
SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4[C@H]([C@H]([C@@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C17H23N6O13P3/c18-17-21-14(19-6-9-4-2-1-3-5-9)11-15(22-17)23(8-20-11)16-13(25)12(24)10(34-16)7-33-38(29,30)36-39(31,32)35-37(26,27)28/h1-5,8,10,12-13,16,24-25H,6-7H2,(H,29,30)(H,31,32)(H2,26,27,28)(H3,18,19,21,22)/t10-,12-,13-,16-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)CC9=CC=CC=C9
InChI: InChI=1S/C43H31Cl2F3N4O5/c44-26-13-11-24(12-14-26)42-32(39(55)52(41(42)57)50-37-33(45)18-25(20-49-37)43(46,47)48)19-31-28(35(42)30-15-10-23-8-4-5-9-27(23)36(30)53)16-17-29-34(31)40(56)51(38(29)54)21-22-6-2-1-3-7-22/h1-16,18,20,29,31-32,34-35,53H,17,19,21H2,(H,49,50)/t29-,31+,32-,34-,35+,42+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[Si](C)(OCCC2=CC=CC=C2)O[C@H]3[C@H]4[C@@H](CO[C@]35COC(O5)(C)C)OC(O4)(C)C)C(C)C
InChI: InChI=1S/C31H50O8Si/c1-21(2)24-15-14-22(3)18-25(24)37-40(8,34-17-16-23-12-10-9-11-13-23)38-28-27-26(35-30(6,7)36-27)19-32-31(28)20-33-29(4,5)39-31/h9-13,21-22,24-28H,14-20H2,1-8H3/t22-,24+,25-,26-,27-,28+,31+,40?/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC(=CC4)C=O)C)C
InChI: InChI=1S/C22H32O2/c1-14(24)18-8-9-19-17-7-6-16-5-4-15(13-23)12-22(16,3)20(17)10-11-21(18,19)2/h4,13,16-20H,5-12H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]2C[C@@](C(=O)O2)(O[C@H]1[C@@H]([C@@H](CO)O)O)O
InChI: InChI=1S/C11H17NO8/c1-4(14)12-7-6-2-11(18,10(17)19-6)20-9(7)8(16)5(15)3-13/h5-9,13,15-16,18H,2-3H2,1H3,(H,12,14)/t5-,6+,7-,8-,9-,11+/m1/s1
SMILES: C[NH+]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H17N5/c1-24-8-7-14-15(9-20)18(23)19(11-21,12-22)17(16(14)10-24)13-5-3-2-4-6-13/h2-7,15-17,23H,8,10H2,1H3/p+1/t15?,16-,17+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](O[C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC(=O)O
InChI: InChI=1S/C27H28O6/c28-24(29)16-23-25(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)27(33-23)32-19-22-14-8-3-9-15-22/h1-15,23,25-27H,16-19H2,(H,28,29)/t23-,25-,26+,27-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](C=C[C@@H]([C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H23NO2/c29-26-24-22(20-12-6-2-7-13-20)16-17-23(21-14-8-3-9-15-21)25(24)27(30)28(26)18-19-10-4-1-5-11-19/h1-17,22-25H,18H2/t22-,23+,24-,25-/m1/s1
SMILES: CO[C@@H]1C/C(=N/O)/[C@@H]2[C@@H](O1)CO[C@@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C14H17NO5/c1-17-12-7-10(15-16)13-11(19-12)8-18-14(20-13)9-5-3-2-4-6-9/h2-6,11-14,16H,7-8H2,1H3/b15-10-/t11-,12-,13+,14-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4
InChI: InChI=1S/C19H27N5O2/c1-15-6-2-4-8-19(15)17(25)24(18(26)21-19)14-22-10-12-23(13-11-22)16-7-3-5-9-20-16/h3,5,7,9,15H,2,4,6,8,10-14H2,1H3,(H,21,26)/p+2/t15-,19+/m1/s1
SMILES: CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC6=C(C=C5)NC=C6
InChI: InChI=1S/C27H27N7O4/c1-15-3-2-4-16(9-15)11-29-24-22-25(31-13-30-24)34(14-32-22)27-21(23(36)20(12-35)38-27)33-26(37)18-5-6-19-17(10-18)7-8-28-19/h2-10,13-14,20-21,23,27-28,35-36H,11-12H2,1H3,(H,33,37)(H,29,30,31)/t20-,21-,23-,27-/m1/s1
SMILES: CC(=C1[C@@H]2CC[C@H]1[C@@H]([C@@H]2C(=O)[O-])C(=O)[O-])C
InChI: InChI=1S/C12H16O4/c1-5(2)8-6-3-4-7(8)10(12(15)16)9(6)11(13)14/h6-7,9-10H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-2/t6-,7+,9+,10-
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)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C46H56N2O9/c1-4-22-48(45(52)53-3)42-29-40(47-55-31-32-14-7-6-8-15-32)38-27-34(17-9-11-23-49)37(19-10-12-24-50)43-39-28-36(56-35-18-13-16-33(26-35)30-51)20-21-41(39)57-46(42,44(38)43)54-25-5-2/h5-8,13-16,18,20-21,26-28,30,34,37,42-44,49-50H,2,4,9-12,17,19,22-25,29,31H2,1,3H3/t34-,37+,42-,43+,44+,46+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C(=O)C4=C(S3(=O)=O)C=C(C(=C4)CI)C5=CC=CC=C5)C(=O)OCC=C)[C@@H](C)OC(=O)OCC=C
InChI: InChI=1S/C32H31IN2O9S/c1-5-12-42-31(38)28-24(18(3)27-26(30(37)35(27)28)19(4)44-32(39)43-13-6-2)17-34-29(36)23-14-21(16-33)22(15-25(23)45(34,40)41)20-10-8-7-9-11-20/h5-11,14-15,18-19,26-27H,1-2,12-13,16-17H2,3-4H3/t18-,19+,26+,27+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=O)CO2)C)C)C)C)(C)O
InChI: InChI=1S/C33H58N2O10/c1-12-25-33(8,40)28-18(2)15-35(11)19(3)14-32(7,42-17-23(36)16-41-28)29(21(5)26(37)22(6)30(39)44-25)45-31-27(38)24(34(9)10)13-20(4)43-31/h18-22,24-25,27-29,31,38,40H,12-17H2,1-11H3/t18-,19+,20+,21-,22+,24-,25+,27+,28+,29+,31-,32+,33+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)C)C
InChI: InChI=1S/C38H66N6O4/c1-24(2)9-6-10-25(3)29-15-16-30-28-14-13-26-23-27(17-19-37(26,4)31(28)18-20-38(29,30)5)48-36(47)43-22-8-12-33(45)44-32(34(39)46)11-7-21-42-35(40)41/h13,24-25,27-32H,6-12,14-23H2,1-5H3,(H2,39,46)(H,43,47)(H,44,45)(H4,40,41,42)/t25-,27+,28+,29-,30+,31+,32+,37+,38-/m1/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C20H24ClN3O4/c1-10(2)15-13-14(18(26)24(17(13)25)8-5-9-28-3)20(23-15)11-6-4-7-12(21)16(11)22-19(20)27/h4,6-7,10,13-15,23H,5,8-9H2,1-3H3,(H,22,27)/t13-,14-,15-,20+/m0/s1
SMILES: C[C@H](CCC=C(C)C)[C@@H]1CCC(=C)C2C=C[C@@](C2[C@@H]1O)(C)O
InChI: InChI=1S/C20H32O2/c1-13(2)7-6-8-14(3)17-10-9-15(4)16-11-12-20(5,22)18(16)19(17)21/h7,11-12,14,16-19,21-22H,4,6,8-10H2,1-3,5H3/t14-,16?,17+,18?,19-,20-/m1/s1
SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(=O)C)C)[C@@H]5[C@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
InChI: InChI=1S/C33H34N2O11.BrH/c1-15-25-13-35(11-10-23(25)16(2)29-28(15)24-12-22(42-18(4)37)8-9-26(24)34-29)33-32(45-21(7)40)31(44-20(6)39)30(43-19(5)38)27(46-33)14-41-17(3)36;/h8-13,27,30-33H,14H2,1-7H3;1H/t27-,30+,31+,32+,33+;/m1./s1
SMILES: CCC1=CC=CC=C1N2C[C@]34C=C[C@H](O3)[C@H]([C@@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H17NO4/c1-2-10-5-3-4-6-11(10)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h3-8,12-14H,2,9H2,1H3,(H,20,21)/p-1/t12-,13+,14+,17-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)C[N+]3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C21H26NO2/c1-20(2)16-10-11-21(20,3)18(13-16)24-19(23)14-22-12-6-8-15-7-4-5-9-17(15)22/h4-9,12,16,18H,10-11,13-14H2,1-3H3/q+1/t16-,18+,21+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=COCCO)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO)CCCCC
InChI: InChI=1S/C41H56N2O9/c1-4-6-11-20-41(21-12-7-5-2)51-36-29-33(39(47)43(3)34(38(46)42-22-23-44)27-31-13-9-8-10-14-31)28-35(37(36)52-41)50-40(48)32-17-15-30(16-18-32)19-25-49-26-24-45/h8-10,13-19,25,29,34-37,44-45H,4-7,11-12,20-24,26-28H2,1-3H3,(H,42,46)/t34-,35-,36-,37+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@@](C)(C(=O)O)O)(C)O)(C)C
InChI: InChI=1S/C19H34O4/c1-16(2)9-6-10-17(3)13(16)7-11-18(4,22)14(17)8-12-19(5,23)15(20)21/h13-14,22-23H,6-12H2,1-5H3,(H,20,21)/t13-,14+,17-,18+,19-/m0/s1
SMILES: CC(C)NC(=O)N(CC1=CC=CC=C1)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CO7)C)O
InChI: InChI=1S/C38H48N2O5/c1-25(2)39-33(43)40(23-26-9-6-5-7-10-26)24-37(44)17-14-31-35(37,4)16-13-30-34(3)15-12-27(41)21-36(34)18-19-38(30,31)28(22-36)32(42)29-11-8-20-45-29/h5-11,18-20,22,25,27,30-31,41,44H,12-17,21,23-24H2,1-4H3,(H,39,43)/t27?,30-,31-,34-,35+,36+,37-,38-/m1/s1
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6=CC=CO6
InChI: InChI=1S/C28H32O8/c1-15(29)34-14-22(32)28-23(35-25(36-28)21-5-4-10-33-21)12-19-18-7-6-16-11-17(30)8-9-26(16,2)24(18)20(31)13-27(19,28)3/h4-5,8-11,18-20,23-25,31H,6-7,12-14H2,1-3H3/t18-,19-,20-,23+,24+,25+,26-,27-,28+/m0/s1
SMILES: CC(C)N(C(C)C)C(=O)[C@@H]1[C@@H](CN1C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC
InChI: InChI=1S/C24H32N2O4/c1-16(2)26(17(3)4)24(27)23-22(30-21-13-11-20(29-6)12-14-21)15-25(23)18-7-9-19(28-5)10-8-18/h7-14,16-17,22-23H,15H2,1-6H3/t22-,23+/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CCC=C3NC4=NC=NN24
InChI: InChI=1S/C17H18N4O2/c1-2-23-12-8-6-11(7-9-12)16-15-13(4-3-5-14(15)22)20-17-18-10-19-21(16)17/h4,6-10,15-16H,2-3,5H2,1H3,(H,18,19,20)/t15-,16-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C)O)F)CC[C@@H]4[C@@]3(C=CC(=O)N4C)C
InChI: InChI=1S/C20H30FNO2/c1-18-9-8-17(23)22(4)16(18)6-5-12-13(18)7-10-19(2)14(12)11-15(21)20(19,3)24/h8-9,12-16,24H,5-7,10-11H2,1-4H3/t12-,13+,14+,15-,16-,18-,19+,20+/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)C[C@@H](CC/C(=C/CC1)/C)C(=C)C)C
InChI: InChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3/b16-10+,17-9+/t18-,19-,20-/m1/s1