EdisonScientific/glyph-datasets huggingface dataset:
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)OCC3=CC=CC=C3)(C(=O)OCC4=CC=CC=C4)O)C(=O)O)CCC(=C)C([C@H](C)CC5=CC=CC=C5)OC(=O)C)O
InChI: InChI=1S/C49H58O14/c1-7-31(2)27-32(3)23-24-39(51)61-42-41(52)47(26-25-33(4)40(60-35(6)50)34(5)28-36-17-11-8-12-18-36)62-43(44(53)54)48(57,45(55)58-29-37-19-13-9-14-20-37)49(42,63-47)46(56)59-30-38-21-15-10-16-22-38/h8-24,31-32,34,40-43,52,57H,4,7,25-30H2,1-3,5-6H3,(H,53,54)/b24-23+/t31-,32+,34+,40?,41+,42+,43+,47+,48+,49+/m0/s1
SMILES: CC(=O)N1[C@@H]2[C@@H](C[C@@H](N2C(=O)OC)C(=O)OC)C3=C1C=C(C=C3)O
InChI: InChI=1S/C16H18N2O6/c1-8(19)17-12-6-9(20)4-5-10(12)11-7-13(15(21)23-2)18(14(11)17)16(22)24-3/h4-6,11,13-14,20H,7H2,1-3H3/t11-,13+,14-/m0/s1
SMILES: C1[C@H]2[C@H](C[C@H]([C@@H]1Br)Br)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-]
InChI: InChI=1S/C15H13Br2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-2-7(4-8)15(21)22/h1-4,9-12H,5-6H2,(H,21,22)/p-1/t9-,10-,11+,12+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](OS(=O)(=O)O1)C2=CC=CC=C2
InChI: InChI=1S/C15H24O5SSi/c1-15(2,3)22(4,5)18-11-13-14(20-21(16,17)19-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14-/m1/s1
SMILES: B1(OCCCO1)[C@H]2C[C@H]2[C@H]3C[C@H]3CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C26H35BO3Si/c1-26(2,3)31(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-19-20-17-23(20)24-18-25(24)27-28-15-10-16-29-27/h4-9,11-14,20,23-25H,10,15-19H2,1-3H3/t20-,23-,24-,25-/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CO4)O
InChI: InChI=1S/C24H32N2O3/c1-3-25(4-2)19-12-10-18(11-13-19)22-20-8-5-6-14-24(20,28)15-16-26(22)23(27)21-9-7-17-29-21/h7,9-13,17,20,22,28H,3-6,8,14-16H2,1-2H3/t20-,22+,24+/m1/s1
SMILES: C[C@@H]1CO[C@H]([C@@H](N1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C20H19F6NO2/c1-12-10-28-18(17(27-12)14-5-3-2-4-6-14)29-11-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9,12,17-18,27H,10-11H2,1H3/t12-,17+,18+/m1/s1
SMILES: CS(=O)(=O)NC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C(/C2=CC=CC=C2)\N3C=NC4=CC=CC=C43)O)O)OC[C@@H]5C[C@@H]5C6=CC=C(C=C6)Cl
InChI: InChI=1S/C34H34ClN3O8S/c1-47(43,44)37-33(42)34(45-19-23-15-25(23)21-11-13-24(35)14-12-21)17-29(39)32(41)30(18-34)46-31(40)16-28(22-7-3-2-4-8-22)38-20-36-26-9-5-6-10-27(26)38/h2-14,16,20,23,25,29-30,32,39,41H,15,17-19H2,1H3,(H,37,42)/b28-16-/t23-,25+,29+,30+,32+,34-/m0/s1
SMILES: C[C@]1(CC[C@@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)C3=CC=CC=C3)OC(=O)C(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C32H35NO7S/c1-31(19-18-26-20-28(31)39-40-32(26,2)23-41(36,37)27-16-10-5-11-17-27)38-30(35)29(34)33(21-24-12-6-3-7-13-24)22-25-14-8-4-9-15-25/h3-17,26,28H,18-23H2,1-2H3/t26-,28-,31-,32-/m1/s1
SMILES: CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-19(24)18(23)17(22)16(15-21)26-20/h16-24H,2-15H2,1H3/t16-,17+,18+,19-,20+/m1/s1
SMILES: C[C@@H]([C@H](/C=C/[C@H]1[C@@H](OC(O1)(C)C)CO[Si](C)(C)C(C)(C)C)O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C33H52O5Si2/c1-25(38-40(32(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27)28(34)22-23-29-30(37-33(8,9)36-29)24-35-39(10,11)31(2,3)4/h12-23,25,28-30,34H,24H2,1-11H3/b23-22+/t25-,28-,29-,30-/m0/s1
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)N=C(C)C)SC1)C(=O)O
InChI: InChI=1S/C13H16N2O3S/c1-4-5-8-6-19-12-9(14-7(2)3)11(16)15(12)10(8)13(17)18/h4-5,9,12H,6H2,1-3H3,(H,17,18)/b5-4-/t9-,12-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@@]4([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N\NC(=O)C5=CC=CC=N5)/CO4)C)O[C@@H]6[C@H]([C@@H](C[C@@H](O6)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C41H62N6O10/c1-11-30-41(8)34-24(4)31(43-16-17-47(34)39(51)57-41)22(2)19-40(7)35(56-38-32(48)29(46(9)10)18-23(3)54-38)25(5)33(26(6)37(50)55-30)52-20-27(21-53-40)44-45-36(49)28-14-12-13-15-42-28/h12-15,22-26,29-30,32-35,38,48H,11,16-21H2,1-10H3,(H,45,49)/b44-27+/t22-,23+,24+,25+,26-,29-,30-,32+,33+,34-,35-,38-,40-,41-/m1/s1
SMILES: C[C@]12C[C@H]3[C@H](C3(C)C)C[C@H]1[C@]([C@H]([P@]2(=O)CC4=CC=CC=C4)C5=CC=CC=C5)(C)O
InChI: InChI=1S/C26H33O2P/c1-24(2)20-15-22-25(3,16-21(20)24)29(28,17-18-11-7-5-8-12-18)23(26(22,4)27)19-13-9-6-10-14-19/h5-14,20-23,27H,15-17H2,1-4H3/t20-,21+,22-,23-,25+,26+,29-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[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)OC7=CC(=C(C=C7)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C61H78FN3O9/c1-5-7-8-9-10-11-12-13-14-21-58(68)64(41-45-23-27-48(62)28-24-45)57-40-55(63-72-42-46-25-29-49(30-26-46)65(69)70)53-38-47(19-15-17-34-66)52(20-16-18-35-67)59-54-39-51(73-50-31-22-43(3)44(4)37-50)32-33-56(54)74-61(57,60(53)59)71-36-6-2/h6,22-33,37-39,47,52,57,59-60,66-67H,2,5,7-21,34-36,40-42H2,1,3-4H3/t47-,52+,57-,59+,60+,61+/m0/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)NC(=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)CC8=CC=CC=C8
InChI: InChI=1S/C46H42N4O6/c1-49(29-31-13-5-2-6-14-31)24-12-15-30-22-23-37-36(27-30)46(45(54)48-37)38(43(47)52)40-44(53)56-41(33-18-9-4-10-19-33)39(32-16-7-3-8-17-32)50(40)42(46)34-20-11-21-35(28-34)55-26-25-51/h2-11,13-14,16-23,27-28,38-42,51H,24-26,29H2,1H3,(H2,47,52)(H,48,54)/t38-,39-,40-,41+,42+,46-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)OC(=O)CP(=O)(O)O
InChI: InChI=1S/C11H14BrN2O9P/c12-5-2-14(11(18)13-10(5)17)8-1-6(7(3-15)22-8)23-9(16)4-24(19,20)21/h2,6-8,15H,1,3-4H2,(H,13,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1
SMILES: CCOC(=O)C(C)NP(=O)(O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C#C)(C)O)O
InChI: InChI=1S/C19H26N5O8P/c1-5-11-7-24(16-13(11)15(20)21-9-22-16)18-19(4,27)14(25)12(32-18)8-31-33(28,29)23-10(3)17(26)30-6-2/h1,7,9-10,12,14,18,25,27H,6,8H2,2-4H3,(H2,20,21,22)(H2,23,28,29)/t10?,12-,14-,18-,19-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C(C(F)(F)F)(F)F)O)CCC4=C(C(=O)CCC34)Cl
InChI: InChI=1S/C20H24ClF5O2/c1-17-8-6-11-10-4-5-15(27)16(21)13(10)3-2-12(11)14(17)7-9-18(17,28)19(22,23)20(24,25)26/h10-12,14,28H,2-9H2,1H3/t10?,11?,12?,14?,17-,18-/m0/s1
SMILES: CN1C(=O)N2CC=CC(N2C1=O)C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC3)C(=O)OCC9=CC=C(C=C9)OC
InChI: InChI=1S/C47H42N8O8S2/c1-52-45(59)53-25-13-20-36(55(53)46(52)60)34-27-64-42-38(41(57)54(42)39(34)43(58)63-26-29-21-23-33(61-2)24-22-29)49-40(56)37(51-62-3)35-28-65-44(48-35)50-47(30-14-7-4-8-15-30,31-16-9-5-10-17-31)32-18-11-6-12-19-32/h4-24,28,36,38,42H,25-27H2,1-3H3,(H,48,50)(H,49,56)/b51-37-/t36?,38-,42-/m1/s1
SMILES: C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O6/c1-12(13-5-4-6-14(11-13)21(25)26)27-17(22)9-10-20-18(23)15-7-2-3-8-16(15)19(20)24/h4-6,11-12,15-16H,2-3,7-10H2,1H3/t12-,15-,16+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCCOC(=O)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C13H18N2O6S/c1-5-8-7(6(2)16)11(17)15(8)9(12(18)19)10(5)22-4-3-21-13(14)20/h5-8,16H,3-4H2,1-2H3,(H2,14,20)(H,18,19)/t5-,6-,7-,8-/m1/s1
SMILES: CCC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H21BrN2O2/c1-3-19(25)24-21(14-4-8-15(22)9-5-14)17-11-7-13-6-10-16(26-2)12-18(13)20(17)23-24/h4-6,8-10,12,17,21H,3,7,11H2,1-2H3/t17-,21+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C
InChI: InChI=1S/C32H27NO7/c1-15-12-26(36)29-24(30(15)37)14-22-20(27(29)23-13-19(40-3)8-11-25(23)35)9-10-21-28(22)32(39)33(31(21)38)18-6-4-17(5-7-18)16(2)34/h4-9,11-13,21-22,27-28,35H,10,14H2,1-3H3/t21-,22+,27+,28-/m0/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H27N3O4/c1-15-20(16(2)26(24-15)17-8-4-3-5-9-17)14-30-21(27)12-13-25-22(28)18-10-6-7-11-19(18)23(25)29/h3-5,8-9,18-19H,6-7,10-14H2,1-2H3/t18-,19+
SMILES: C[C@@H]1[C@@H](C2=C(C1=O)C[C@H]3C[C@@H]2C3(C)C)NC(C)(C)C
InChI: InChI=1S/C17H27NO/c1-9-14(18-16(2,3)4)13-11(15(9)19)7-10-8-12(13)17(10,5)6/h9-10,12,14,18H,7-8H2,1-6H3/t9-,10+,12+,14+/m1/s1
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@H](CCC3=CC=CC=C3)[C@H]([C@@H]([C@@H](CCC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O)O)O
InChI: InChI=1S/C40H44N2O6/c43-33-23-27-15-7-9-17-29(27)35(33)41-39(47)31(21-19-25-11-3-1-4-12-25)37(45)38(46)32(22-20-26-13-5-2-6-14-26)40(48)42-36-30-18-10-8-16-28(30)24-34(36)44/h1-18,31-38,43-46H,19-24H2,(H,41,47)(H,42,48)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1
SMILES: CCCNC(=O)C[C@@]1([C@H](CCC1C2CCC3=C(C2)C=CC(=C3)OC)OC(=O)C)C
InChI: InChI=1S/C24H35NO4/c1-5-12-25-23(27)15-24(3)21(10-11-22(24)29-16(2)26)19-7-6-18-14-20(28-4)9-8-17(18)13-19/h8-9,14,19,21-22H,5-7,10-13,15H2,1-4H3,(H,25,27)/t19?,21?,22-,24-/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)C)CSC5=C(C=CC=N5)C(=O)O
InChI: InChI=1S/C34H34N2O6S/c1-21-30(20-43-32-29(33(39)40)7-4-16-35-32)41-34(42-31(21)26-10-8-23(19-37)9-11-26)27-14-12-25(13-15-27)28-6-3-5-24(17-28)18-36-22(2)38/h3-17,21,30-31,34,37H,18-20H2,1-2H3,(H,36,38)(H,39,40)/t21-,30+,31+,34+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCC(=O)C2=CC=CS2
InChI: InChI=1S/C17H25N3O2S2/c1-11-5-3-6-13(12(11)2)18-17(23)20-19-16(22)9-8-14(21)15-7-4-10-24-15/h4,7,10-13H,3,5-6,8-9H2,1-2H3,(H,19,22)(H2,18,20,23)/t11-,12-,13+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@]23[C@H](CC[C@]4([C@@]2(O3)CC[C@H]([C@]4(C)C5=CC6=C(N5)C=CC(=C6)CC=C(C)C)COS(=O)(=O)C)C)O[C@@H]1C(C)(C)OCC7=CC=CC=C7
InChI: InChI=1S/C46H67NO7SSi/c1-11-56(12-2,13-3)53-38-29-45-40(52-41(38)42(6,7)50-30-34-17-15-14-16-18-34)24-25-43(8)44(9,36(31-51-55(10,48)49)23-26-46(43,45)54-45)39-28-35-27-33(20-19-32(4)5)21-22-37(35)47-39/h14-19,21-22,27-28,36,38,40-41,47H,11-13,20,23-26,29-31H2,1-10H3/t36-,38+,40-,41-,43+,44+,45+,46-/m0/s1
SMILES: C1=CC=C2C3[C@@H]([C@@H](C(C2=C1)C4=CC=CC=C34)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C24H18N2O5/c27-23(25-13-6-5-7-14(12-13)26(30)31)21-19-15-8-1-3-10-17(15)20(22(21)24(28)29)18-11-4-2-9-16(18)19/h1-12,19-22H,(H,25,27)(H,28,29)/p-1/t19?,20?,21-,22+/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H]1C=C2CCCC[C@@H]2[C@H]3[C@@H]1C(=O)OC3=O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C21H29NO7/c1-11(23)27-10-15(22-20(26)29-21(2,3)4)14-9-12-7-5-6-8-13(12)16-17(14)19(25)28-18(16)24/h9,13-17H,5-8,10H2,1-4H3,(H,22,26)/t13-,14-,15+,16-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CCl
InChI: InChI=1S/C41H36ClN5O6S2/c1-51-31-20-18-26(19-21-31)23-53-39(50)35-27(22-42)24-54-38-34(37(49)47(35)38)44-36(48)33(46-52-2)32-25-55-40(43-32)45-41(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,25,34,38H,22-24H2,1-2H3,(H,43,45)(H,44,48)/b46-33-/t34-,38-/m1/s1
SMILES: CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C4=CC(=CC=C4)OC)C)CC(=O)N5CC[C@@]6(CCCC[C@@H]6C5)O
InChI: InChI=1S/C31H33NO6/c1-18-23-14-25-26(20-7-6-9-22(13-20)36-3)17-37-28(25)19(2)29(23)38-30(34)24(18)15-27(33)32-12-11-31(35)10-5-4-8-21(31)16-32/h6-7,9,13-14,17,21,35H,4-5,8,10-12,15-16H2,1-3H3/t21-,31-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=CN=C3Cl)COS(=O)(=O)N
InChI: InChI=1S/C14H16ClN5O8S/c1-6(21)26-10-8(3-25-29(16,23)24)28-14(11(10)27-7(2)22)20-5-19-9-12(15)17-4-18-13(9)20/h4-5,8,10-11,14H,3H2,1-2H3,(H2,16,23,24)/t8-,10-,11-,14-/m1/s1
SMILES: CCC1=CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@H]3CC[C@H]4OC(=O)C)C)C
InChI: InChI=1S/C23H36O2/c1-5-16-10-12-22(3)17(14-16)6-7-18-19-8-9-21(25-15(2)24)23(19,4)13-11-20(18)22/h10,17-21H,5-9,11-14H2,1-4H3/t17-,18-,19-,20+,21+,22-,23-/m0/s1
SMILES: CCCCCCCC(=O)C1(CC1)C(/C=C/[C@@H](C)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O
InChI: InChI=1S/C35H54O4/c1-5-6-7-8-9-12-32(38)35(20-21-35)33(39)18-13-24(2)29-16-17-30-26(11-10-19-34(29,30)4)14-15-27-22-28(36)23-31(37)25(27)3/h13-15,18,24,28-31,33,36-37,39H,3,5-12,16-17,19-23H2,1-2,4H3/b18-13+,26-14+,27-15-/t24-,28-,29-,30?,31+,33?,34-/m1/s1
SMILES: CCCC1C(C2=C([C@H]([C@H]3[C@@H](C2=O)O3)O[Si](C)(C)C(C)(C)C)C(=O)O1)I
InChI: InChI=1S/C18H27IO5Si/c1-7-8-9-12(19)10-11(17(21)22-9)14(16-15(23-16)13(10)20)24-25(5,6)18(2,3)4/h9,12,14-16H,7-8H2,1-6H3/t9?,12?,14-,15-,16+/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H]2[C@H]3[C@@H]2/C=C\CCCC3
InChI: InChI=1S/C17H21NO2/c1-20-13-8-6-7-12(11-13)18-17(19)16-14-9-4-2-3-5-10-15(14)16/h4,6-9,11,14-16H,2-3,5,10H2,1H3,(H,18,19)/b9-4-/t14-,15+,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H18O5/c1-11(19)22-10-16-15-9-13(20)5-8-17(15)23-18(16)12-3-6-14(21-2)7-4-12/h3-9,16,18,20H,10H2,1-2H3/t16-,18+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O
InChI: InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19+,20+,21-,22+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI: InChI=1S/C20H28N2O7/c1-12-7-5-6-8-14(12)21-20(25)22-16(23)11-29-19(24)13-9-10-15(26-2)18(28-4)17(13)27-3/h9-10,12,14H,5-8,11H2,1-4H3,(H2,21,22,23,25)/t12-,14-/m1/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-2-13-3-7-16(8-4-13)23-17(25)12-29-18(26)9-10-24-21(27)19-14-5-6-15(11-14)20(19)22(24)28/h3-4,7-8,14-15,19-20H,2,5-6,9-12H2,1H3,(H,23,25)/t14-,15+,19-,20-/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@H]([C@@H]1N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H19N/c1-3-7-13(8-4-1)17-15-11-12-16(19-15)18(17)14-9-5-2-6-10-14/h1-10,15-19H,11-12H2/t15-,16+,17-,18-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)C(=O)N4CCOCC4)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H37N3O8Si/c1-22(2,3)35(6,7)31-13-15-16-17(34-23(4,5)33-16)20(32-15)26-12-14(18(27)24-21(26)29)19(28)25-8-10-30-11-9-25/h12,15-17,20H,8-11,13H2,1-7H3,(H,24,27,29)/t15-,16-,17-,20-/m1/s1
SMILES: CC[C@](C)(C#C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F
InChI: InChI=1S/C16H22F3NO3/c1-4-15(3,5-2)20-13(21)11-8-6-7-9-12(11)14(22)23-10-16(17,18)19/h1,11-12H,5-10H2,2-3H3,(H,20,21)/t11-,12-,15+/m1/s1
SMILES: C1C[C@@H](O[C@@H]([C@H]1O)CO)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C13H15F3O3/c14-13(15,16)9-3-1-8(2-4-9)11-6-5-10(18)12(7-17)19-11/h1-4,10-12,17-18H,5-7H2/t10-,11+,12+/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)NCC5=CC=CC=C5)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C47H51N5O5/c1-33-42(30-51-25-23-47(24-26-51)45(54)50-32-52(47)41-13-6-3-7-14-41)56-44(57-43(33)38-17-15-35(31-53)16-18-38)39-21-19-37(20-22-39)40-12-8-11-36(27-40)29-49-46(55)48-28-34-9-4-2-5-10-34/h2-22,27,33,42-44,53H,23-26,28-32H2,1H3,(H,50,54)(H2,48,49,55)/t33-,42+,43+,44+/m0/s1
SMILES: CC[C@H](C)[C@H]1[C@@](OC(O1)(C)C)(C(OCC)OCC)C(=O)OC
InChI: InChI=1S/C16H30O6/c1-8-11(4)12-16(13(17)18-7,22-15(5,6)21-12)14(19-9-2)20-10-3/h11-12,14H,8-10H2,1-7H3/t11-,12-,16-/m0/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@@H](C2(C5=CC=CC=C35)C(=O)O)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C25H15Cl2NO4/c26-12-9-10-18(17(27)11-12)28-22(29)20-19-13-5-1-3-7-15(13)25(24(31)32,21(20)23(28)30)16-8-4-2-6-14(16)19/h1-11,19-21H,(H,31,32)/t19?,20-,21-,25?/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=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(=C(C(=C6)OC)O)OC)Cl)C)Cl
InChI: InChI=1S/C31H28Cl2N2O8/c1-14(36)15-5-7-17(8-6-15)35-26(38)19-10-9-18-20(23(19)27(35)39)13-30(32)28(40)34(2)29(41)31(30,33)24(18)16-11-21(42-3)25(37)22(12-16)43-4/h5-9,11-12,19-20,23-24,37H,10,13H2,1-4H3/t19-,20+,23-,24-,30+,31-/m0/s1
SMILES: C[C@@]1([C@H](CCCCCC1=O)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)COC(=O)C(C)(C)C
InChI: InChI=1S/C25H33F3O6/c1-22(2,3)20(30)33-16-23(4)18(29)14-10-7-11-15-19(23)34-21(31)24(32-5,25(26,27)28)17-12-8-6-9-13-17/h6,8-9,12-13,19H,7,10-11,14-16H2,1-5H3/t19-,23+,24+/m0/s1
SMILES: COCO[C@H]1[C@@H](C=CO[C@@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C22H26O5/c1-23-17-27-22-20(26-15-19-10-6-3-7-11-19)12-13-25-21(22)16-24-14-18-8-4-2-5-9-18/h2-13,20-22H,14-17H2,1H3/t20-,21-,22+/m1/s1
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)Cl
InChI: InChI=1S/C13H9ClN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)19-13(18)9(11)6-16/h1-4,8,11,17H,18H2/t8-,11+/m0/s1
SMILES: CCCCCCCCCC[C@H]1[C@@H](CC[C@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O
InChI: InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-33-32(40)22-23-35(43-33)36-25-24-34(44-36)31(39)20-17-14-11-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33-,34+,35-,36+/m0/s1
SMILES: C1C[C@H](OC1)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C16H19NO3/c18-14-12-10-3-4-11(16(10)5-6-16)13(12)15(19)17(14)8-9-2-1-7-20-9/h3-4,9-13H,1-2,5-8H2/t9-,10-,11+,12-,13-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C4=C(C(=NC(=N4)/N=C/N(C)C)Cl)SC3=O)C=C)C
InChI: InChI=1S/C18H22ClN5O3S/c1-6-9-7-10(12-11(9)26-18(2,3)27-12)24-15-13(28-17(24)25)14(19)21-16(22-15)20-8-23(4)5/h6,8-12H,1,7H2,2-5H3/b20-8+/t9-,10+,11+,12-/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H17ClN4OS/c1-2-24-17-20-16-19-12-4-3-5-13(23)14(12)15(22(16)21-17)10-6-8-11(18)9-7-10/h4,6-9,14-15H,2-3,5H2,1H3,(H,19,20,21)/t14-,15-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C21H38O4Si/c1-7-8-9-10-15(22)11-12-16-17-13-20(23)24-18(17)14-19(16)25-26(5,6)21(2,3)4/h11-12,15-19,22H,7-10,13-14H2,1-6H3/b12-11+/t15-,16-,17+,18-,19+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H](O[C@@H]2[C@H]1O[C@H]3CC[C@@H](O[C@@H]3[C@@H]2O[Si](CC)(CC)CC)CC(=O)OC)C=O
InChI: InChI=1S/C26H48O8Si2/c1-8-35(9-2,10-3)33-23-20(17-27)32-25-24(23)31-19-15-14-18(16-21(28)29-7)30-22(19)26(25)34-36(11-4,12-5)13-6/h17-20,22-26H,8-16H2,1-7H3/t18-,19+,20-,22+,23+,24+,25-,26+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CC=CC=C6)C)O4)C
InChI: InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-26-20-30-34(37-30)21-25(36-31(35)24-12-7-6-8-13-24)16-19-33(34,5)29(26)17-18-32(27,28)4/h6-8,12-13,22-23,25-30H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30-,32-,33-,34-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)COC
InChI: InChI=1S/C22H28N4O5/c1-12-4-5-13(2)15(8-12)21(29)25-7-6-16-19(25)22(30)26-10-14(23-18(27)11-31-3)9-17(26)20(28)24-16/h4-5,8,14,16-17,19H,6-7,9-11H2,1-3H3,(H,23,27)(H,24,28)/t14-,16-,17+,19-/m0/s1
SMILES: CCC[C@@H]1[C@@H]2[C@H]([C@](CO1)([C@H](C=C2C)C)CO)C
InChI: InChI=1S/C15H26O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h7,11-14,16H,5-6,8-9H2,1-4H3/t11-,12+,13+,14-,15+/m0/s1
SMILES: C1C[C@@H]([C@H]2CC(=O)N(C(=O)N2C1)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)OC6C7CC8CC(C7)CC6C8
InChI: InChI=1S/C37H43N5O5/c43-33-19-32-30(11-6-12-41(32)37(46)42(33)21-22-7-2-1-3-8-22)39-35(44)31(18-27-20-38-29-10-5-4-9-28(27)29)40-36(45)47-34-25-14-23-13-24(16-25)17-26(34)15-23/h1-5,7-10,20,23-26,30-32,34,38H,6,11-19,21H2,(H,39,44)(H,40,45)/t23?,24?,25?,26?,30-,31-,32+,34?/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@@H]([C@]2(C(=O)O)N)C3=CC=CC=C3
InChI: InChI=1S/C14H17NO2/c15-14(13(16)17)11-7-6-10(8-11)12(14)9-4-2-1-3-5-9/h1-5,10-12H,6-8,15H2,(H,16,17)/t10-,11+,12-,14+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](C=CO2)[C@@H](C=C3COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H34O15/c1-12(28)35-10-18-9-20(37-14(3)30)19-7-8-34-26(22(18)19)42-27-25(40-17(6)33)24(39-16(5)32)23(38-15(4)31)21(41-27)11-36-13(2)29/h7-9,19-27H,10-11H2,1-6H3/t19-,20+,21+,22+,23+,24-,25+,26-,27-/m0/s1
SMILES: CC1=CC(=C(C=C1Cl)N2CCN(CC2)C(=O)[C@@H]3CCN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)[C@@H](C)N(C(C)C)C(=O)C
InChI: InChI=1S/C34H47ClF2N4O2/c1-21(2)41(24(5)42)23(4)28-17-22(3)30(35)19-32(28)38-13-15-39(16-14-38)33(43)27-11-12-40(34(6,7)8)20-29(27)26-10-9-25(36)18-31(26)37/h9-10,17-19,21,23,27,29H,11-16,20H2,1-8H3/t23-,27-,29+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OCC[N+](C)(C)C
InChI: InChI=1S/C15H25N3O5/c1-10-8-17(15(21)16-14(10)20)13-7-11(12(9-19)23-13)22-6-5-18(2,3)4/h8,11-13,19H,5-7,9H2,1-4H3/p+1/t11-,12+,13+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)C3=CC=C(S3)C
InChI: InChI=1S/C20H27NO4S/c1-12-5-4-6-16(14(12)3)21-10-15(9-19(21)23)20(24)25-11-17(22)18-8-7-13(2)26-18/h7-8,12,14-16H,4-6,9-11H2,1-3H3/t12-,14-,15+,16-/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)CN6CCCCCCC6
InChI: InChI=1S/C38H45N3O7/c1-26-33(23-40-20-8-3-2-4-9-21-40)47-37(48-35(26)29-14-12-27(24-42)13-15-29)30-16-18-31(19-17-30)41-34(43)22-32(36(41)44)39-38(45)46-25-28-10-6-5-7-11-28/h5-7,10-19,26,32-33,35,37,42H,2-4,8-9,20-25H2,1H3,(H,39,45)/t26-,32?,33+,35+,37+/m0/s1
SMILES: CC#CCC1(CCC1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC4(C3)OCCO4)OC(=O)C5=CC=CC=C5)O
InChI: InChI=1S/C28H34O5/c1-2-3-12-27(13-7-14-27)25(29)11-10-22-23-19-28(31-15-16-32-28)18-21(23)17-24(22)33-26(30)20-8-5-4-6-9-20/h4-6,8-11,21-25,29H,7,12-19H2,1H3/b11-10+/t21-,22-,23+,24-,25-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3)[N+](=O)[O-]
InChI: InChI=1S/C15H14N2O6/c1-7-2-3-8(6-9(7)17(21)22)16-14(18)12-10-4-5-11(23-10)13(12)15(19)20/h2-6,10-13H,1H3,(H,16,18)(H,19,20)/p-1/t10-,11+,12-,13+/m1/s1
SMILES: C[C@H]1COC(O[C@H]1[C@H](C)[C@H]([C@H](C)C=C)O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C19H28O4/c1-6-12(2)17(20)14(4)18-13(3)11-22-19(23-18)15-7-9-16(21-5)10-8-15/h6-10,12-14,17-20H,1,11H2,2-5H3/t12-,13+,14-,17+,18-,19?/m1/s1
SMILES: C[C@]1(C(C[C@@H]2[C@@H](O1)CO[C@@H](O2)C3=CC=CC=C3)O)CO
InChI: InChI=1S/C15H20O5/c1-15(9-16)13(17)7-11-12(20-15)8-18-14(19-11)10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12+,13?,14+,15-/m1/s1
SMILES: CC1=C2C(=C(C=C1)Cl)[C@H]3C=CC[C@@H]3[C@H](N2)C4=CC(=C(C=C4)OC)[N+](=O)[O-]
InChI: InChI=1S/C20H19ClN2O3/c1-11-6-8-15(21)18-13-4-3-5-14(13)20(22-19(11)18)12-7-9-17(26-2)16(10-12)23(24)25/h3-4,6-10,13-14,20,22H,5H2,1-2H3/t13-,14-,20+/m0/s1
SMILES: C[C@@]12CCC(=O)C=C1C=C[C@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(C)O)C
InChI: InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16-,17+,18+,19+,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)CNC(=O)CCC(=O)O)CSC4=NC5=CC=CC=C5S4
InChI: InChI=1S/C31H32N2O6S2/c1-19-25(18-40-31-33-24-4-2-3-5-26(24)41-31)38-30(39-29(19)22-10-8-21(17-34)9-11-22)23-12-6-20(7-13-23)16-32-27(35)14-15-28(36)37/h2-13,19,25,29-30,34H,14-18H2,1H3,(H,32,35)(H,36,37)/t19-,25+,29+,30+/m0/s1
SMILES: CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC(=C2)C(=O)C3[C@@H]([C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H31NO4/c1-2-39-34(38)28(21-23-13-6-3-7-14-23)35-33(37)27-20-12-19-26(22-27)32(36)31-29(24-15-8-4-9-16-24)30(31)25-17-10-5-11-18-25/h3-20,22,28-31H,2,21H2,1H3,(H,35,37)/t28-,29-,30+,31?/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]2[C@H](CN1CC3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C17H23NO4/c1-12(19)20-11-14-16-15(21-17(2,3)22-16)10-18(14)9-13-7-5-4-6-8-13/h4-8,14-16H,9-11H2,1-3H3/t14-,15-,16+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C[C@@H](O3)OC)O
InChI: InChI=1S/C22H30O4Si/c1-22(2,3)27(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-20-19(23)15-21(24-4)26-20/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20+,21+/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)C5=C(C(=C(C=C5)OC)OC)OC)C)C
InChI: InChI=1S/C36H56O3/c1-23(2)10-9-11-24(3)29-15-16-30-28-13-12-26-22-25(18-20-35(26,4)31(28)19-21-36(29,30)5)27-14-17-32(37-6)34(39-8)33(27)38-7/h12,14,17,23-25,28-31H,9-11,13,15-16,18-22H2,1-8H3/t24-,25+,28+,29-,30+,31+,35+,36-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OP(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C29H27N2O9P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)37-17-20-13-15-21(16-14-20)31(35)36)27(18)40-41(38-22-9-5-3-6-10-22)39-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19-,24-,25-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@]1(CO[C@@H]2C3=CC=C(C=C3)O)CO)C)C
InChI: InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13+,16+,17-,18-/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)C4=CC=CC(=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C49H57N5O5/c1-31-44(29-54-42-15-8-5-11-35(42)24-25-43(54)47(57)53-49(2,3)4)58-48(59-45(31)36-18-16-32(30-55)17-19-36)37-22-20-34(21-23-37)38-12-9-10-33(26-38)27-51-46(56)41-28-50-39-13-6-7-14-40(39)52-41/h6-7,9-10,12-14,16-23,26,28,31,35,42-45,48,55H,5,8,11,15,24-25,27,29-30H2,1-4H3,(H,51,56)(H,53,57)/t31-,35+,42+,43+,44+,45+,48+/m0/s1