EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@H]([C@@H]([C@](O1)(CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C12H21N3O10/c13-15-14-4-2-24-12(22,10(21)6(4)17)3-23-11-9(20)8(19)7(18)5(1-16)25-11/h4-11,16-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12-/m1/s1
SMILES: C/C(=N/NC(=O)[C@H]1[C@H]2[C@@]1(CCCC2)C)/C3=CC=CS3
InChI: InChI=1S/C15H20N2OS/c1-10(12-7-5-9-19-12)16-17-14(18)13-11-6-3-4-8-15(11,13)2/h5,7,9,11,13H,3-4,6,8H2,1-2H3,(H,17,18)/b16-10-/t11-,13+,15-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@]23[C@H]1CC[C@@]4([C@H]3O4)C)C[NH+]5CCC6=CC=CC=C6C5
InChI: InChI=1S/C24H31NO3/c1-15-7-8-20-18(14-25-12-10-16-5-3-4-6-17(16)13-25)21(26)27-24(20)19(15)9-11-23(2)22(24)28-23/h3-6,15,18-20,22H,7-14H2,1-2H3/p+1/t15-,18+,19+,20+,22-,23-,24-/m1/s1
SMILES: C=CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H38O6/c1-2-3-13-20-34-32-31(37-24-27-18-11-6-12-19-27)30(36-23-26-16-9-5-10-17-26)29(28(21-33)38-32)35-22-25-14-7-4-8-15-25/h2,4-12,14-19,28-33H,1,3,13,20-24H2/t28-,29-,30+,31-,32-/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(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)[O-]
InChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/p-1/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
SMILES: CC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@H]2[C@@H](CCN(C2=O)[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)OC(C)(C)C)C(=O)O
InChI: InChI=1S/C41H55N5O11/c1-27(47)43-31(26-55-24-28-14-7-5-8-15-28)35(48)44-34-30(38(51)52)20-23-46(37(34)50)32(36(49)45-22-13-19-33(45)39(53)57-41(2,3)4)18-11-12-21-42-40(54)56-25-29-16-9-6-10-17-29/h5-10,14-17,30-34H,11-13,18-26H2,1-4H3,(H,42,54)(H,43,47)(H,44,48)(H,51,52)/t30-,31+,32+,33+,34+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5CCCCC5
InChI: InChI=1S/C22H30N6O3/c1-27(2)16-10-8-14(9-11-16)21-24-25-26-28(21)18-13-31-19-17(12-30-20(18)19)23-22(29)15-6-4-3-5-7-15/h8-11,15,17-20H,3-7,12-13H2,1-2H3,(H,23,29)/t17-,18-,19+,20+/m0/s1
SMILES: CCOC(=O)N1C2[C@@H]3[C@H]4C5C3[C@@H]2[C@H]5C4N1C(=O)OCC
InChI: InChI=1S/C14H18N2O4/c1-3-19-13(17)15-11-7-5-6-9(7)12(10(6)8(5)11)16(15)14(18)20-4-2/h5-12H,3-4H2,1-2H3/t5?,6?,7-,8+,9+,10-,11?,12?
SMILES: [2H][C@]1(C2=CC(=C[C@@]13CC4=CC(=CC(=C4O3)CC5=CC(=C[C@@]6([C@@]5([2H])O)CC7=CC(=CC(=C7O6)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
InChI: InChI=1S/C44H56O4/c1-39(2,3)31-15-25-13-27-17-33(41(7,8)9)24-44(37(27)45)22-30-20-32(40(4,5)6)16-26(36(30)48-44)14-28-18-34(42(10,11)12)23-43(38(28)46)21-29(19-31)35(25)47-43/h15-20,23-24,37-38,45-46H,13-14,21-22H2,1-12H3/t37-,38+,43-,44+/i37D,38D
SMILES: CC[C@@H]1[C@@H](C[C@H]([C@@H]2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C37H67NO9/c1-14-28-20(2)15-21(3)31-22(4)17-37(10,47-31)33(46-35-30(39)27(38(11)12)16-23(5)43-35)25(7)32(26(8)34(40)44-28)45-29-19-36(9,41-13)18-24(6)42-29/h20-33,35,39H,14-19H2,1-13H3/t20-,21-,22-,23-,24+,25+,26-,27+,28-,29?,30-,31-,32+,33-,35+,36+,37-/m1/s1
SMILES: COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)O)O
InChI: InChI=1S/C30H30O11/c1-38-24-10-6-18(14-23(24)33)2-3-19-12-21(32)15-22(13-19)40-30-29(37)28(36)27(35)25(41-30)16-39-26(34)11-7-17-4-8-20(31)9-5-17/h2-15,25,27-33,35-37H,16H2,1H3/b3-2+,11-7+/t25-,27-,28+,29-,30-/m1/s1
SMILES: CC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
InChI: InChI=1S/C27H44O3/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/h9-11,18,22-25,28-30H,6-8,12-17H2,1-5H3/b11-10-/t18-,22-,23-,24-,25+,27-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1OCCCC3=CC=CC=C3)(C(=O)O)N
InChI: InChI=1S/C17H20FNO5/c18-16(14(20)21)11-9-12(17(19,13(11)16)15(22)23)24-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9,19H2,(H,20,21)(H,22,23)/t11-,12-,13+,16-,17+/m1/s1
SMILES: CC(C)([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O[C@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C5=CC=NC6=CC=CC=C56
InChI: InChI=1S/C38H40N2O3/c1-4-26-25-40-22-20-29(26)23-34(40)36(31-19-21-39-33-18-12-11-17-30(31)33)43-37(42)38(2,3)32(27-13-7-5-8-14-27)24-35(41)28-15-9-6-10-16-28/h4-19,21,26,29,32,34,36H,1,20,22-25H2,2-3H3/t26-,29-,32-,34+,36-/m0/s1
SMILES: CCS[C@@H]1[C@@H]2[C@H]([C@H]([C@H](O1)COC(=O)C)NC(=O)C)OC(O2)(C)C
InChI: InChI=1S/C15H25NO6S/c1-6-23-14-13-12(21-15(4,5)22-13)11(16-8(2)17)10(20-14)7-19-9(3)18/h10-14H,6-7H2,1-5H3,(H,16,17)/t10-,11+,12+,13+,14-/m1/s1
SMILES: C1CCC2(CC1)C(=O)O[C@H]([C@]2(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C21H22O3/c22-19-20(14-8-3-9-15-20)21(23,17-12-6-2-7-13-17)18(24-19)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,23H,3,8-9,14-15H2/t18-,21-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@]23CCN(C[C@@H]2CC(C(C3)O)O)C(=O)OC=C
InChI: InChI=1S/C19H25NO5/c1-3-25-18(23)20-8-7-19(13-5-4-6-15(9-13)24-2)11-17(22)16(21)10-14(19)12-20/h3-6,9,14,16-17,21-22H,1,7-8,10-12H2,2H3/t14-,16?,17?,19+/m0/s1
SMILES: C[C@H]1CC2=C([C@@H](CC(=O)N2)C3=CC=CC=C3)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C18H19NO4/c1-10-8-13-16(17(21)15(10)18(22)23-2)12(9-14(20)19-13)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,20)/t10-,12-,15-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]13[C@@H](CC(C3OC(=O)C)(C)C)C=C2C
InChI: InChI=1S/C17H26O2/c1-10-8-13-9-16(4,5)15(19-12(3)18)17(13)11(2)6-7-14(10)17/h8,11,13-15H,6-7,9H2,1-5H3/t11-,13-,14+,15?,17+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC3([C@@H]2CCOC4=CC=CC=C4)CO3)(C)C
InChI: InChI=1S/C22H32O2/c1-20(2)12-7-13-21(3)18(20)10-14-22(16-24-22)19(21)11-15-23-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3/t18-,19+,21-,22?/m0/s1
SMILES: CCCCC(=O)N(CCC1=CC=CC=C1OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C31H38N2O8/c1-4-5-10-26(36)33(13-11-20-8-6-7-9-24(20)39-2)23-17-22(31(38)32-12-14-34)27-21-15-19(18-35)16-25(40-3)29(21)41-30(27)28(23)37/h6-9,15-18,23,27-28,30,34,37H,4-5,10-14H2,1-3H3,(H,32,38)/t23-,27+,28+,30+/m1/s1
SMILES: COC1=CC(=CC(=C1OC(=O)OCC2=CC=CC=C2)OC)[C@H]3[C@@H]4[C@H](COC4=O)[C@@H](C5=CC6=C(C=C35)OCO6)OC(=O)NCCCCl
InChI: InChI=1S/C33H32ClNO11/c1-39-25-11-19(12-26(40-2)30(25)46-33(38)42-15-18-7-4-3-5-8-18)27-20-13-23-24(44-17-43-23)14-21(20)29(22-16-41-31(36)28(22)27)45-32(37)35-10-6-9-34/h3-5,7-8,11-14,22,27-29H,6,9-10,15-17H2,1-2H3,(H,35,37)/t22-,27+,28-,29+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(CO)O)O)C)O
InChI: InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17?,18+,19-,20-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F
InChI: InChI=1S/C18H23FN2O4/c1-12-5-2-3-8-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-4-7-14(19)9-13/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,20,24)(H,21,22)/t12-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3(CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CC6)NC2=O.Cl
InChI: InChI=1S/C30H36N4O4.ClH/c1-38-25-11-7-21(8-12-25)17-34-28(36)30(31-29(34)37)13-15-32(16-14-30)18-24-19-33(27(35)23-9-10-23)20-26(24)22-5-3-2-4-6-22;/h2-8,11-12,23-24,26H,9-10,13-20H2,1H3,(H,31,37);1H/t24-,26+;/m0./s1
SMILES: CC(=C[C@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C
InChI: InChI=1S/C36H58O9/c1-19(2)14-20-16-42-36-17-35(18-43-36)21(29(36)34(20,7)41)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-33(24,35)6)45-30-28(40)27(39)26(38)22(15-37)44-30/h14,20-30,37-41H,8-13,15-18H2,1-7H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30-,32-,33+,34-,35-,36+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](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)COP(=O)([O-])OCC[N+](C)(C)C)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O
InChI: InChI=1S/C56H109N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-48(60)57-44(45(59)36-33-30-27-24-22-23-26-29-32-35-43(2)3)40-69-55-53(65)51(63)49(61)46(73-55)41-70-56-54(66)52(64)50(62)47(74-56)42-72-75(67,68)71-39-38-58(4,5)6/h33,36,43-47,49-56,59,61-66H,7-32,34-35,37-42H2,1-6H3,(H-,57,60,67,68)/b36-33+/t44-,45+,46+,47+,49-,50-,51-,52-,53+,54+,55+,56+/m0/s1
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C2C1)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)CO
InChI: InChI=1S/C42H66O16/c1-37(19-45)12-14-42(36(54)58-34-32(51)30(49)28(47)23(18-44)56-34)15-13-39(3)20(21(42)16-37)6-7-24-38(2)10-9-26(41(5,35(52)53)25(38)8-11-40(24,39)4)57-33-31(50)29(48)27(46)22(17-43)55-33/h6,21-34,43-51H,7-19H2,1-5H3,(H,52,53)/t21?,22-,23-,24?,25?,26?,27-,28-,29+,30+,31-,32-,33+,34+,37?,38?,39?,40?,41?,42?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)OCC5=CC=CC=C5
InChI: InChI=1S/C35H43NO11/c1-22(38)36-28-33(43-19-24-13-7-3-8-14-24)32(47-35-31(41)30(40)29(39)26(17-37)45-35)27(21-42-18-23-11-5-2-6-12-23)46-34(28)44-20-25-15-9-4-10-16-25/h2-16,26-35,37,39-41H,17-21H2,1H3,(H,36,38)/t26-,27+,28+,29+,30-,31+,32+,33+,34-,35-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C([C@H]3COC4CCCCO4)OS(=O)(=O)C(F)(F)F)C)(C)C
InChI: InChI=1S/C25H39F3O5S/c1-22(2)12-7-13-24(4)19(22)11-14-23(3)17(16-32-21-8-5-6-15-31-21)18(9-10-20(23)24)33-34(29,30)25(26,27)28/h9,17,19-21H,5-8,10-16H2,1-4H3/t17-,19+,20+,21?,23+,24+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C6H15O14P3/c1-2-3(18-21(8,9)10)4(19-22(11,12)13)5(6(7)17-2)20-23(14,15)16/h2-7H,1H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/t2-,3-,4+,5+,6-/m1/s1
SMILES: C1=CNC(=C1)C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC=CN3)CO)O)O
InChI: InChI=1S/C16H18N2O8/c19-7-10-11(20)12(21)13(25-14(22)8-3-1-5-17-8)16(24-10)26-15(23)9-4-2-6-18-9/h1-6,10-13,16-21H,7H2/t10-,11-,12+,13-,16+/m1/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)NC5CC6C(C5)C6NC(=O)C
InChI: InChI=1S/C39H48N4O6/c1-3-19-43-33(22-40-39(46)42-30-20-31-32(21-30)34(31)41-26(2)44)35(47-23-27-13-7-4-8-14-27)36(48-24-28-15-9-5-10-16-28)37(38(43)45)49-25-29-17-11-6-12-18-29/h4-18,30-37H,3,19-25H2,1-2H3,(H,41,44)(H2,40,42,46)/t30?,31?,32?,33-,34?,35-,36-,37-/m1/s1
SMILES: CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=C(C(=CC=C3)OC)OC)C
InChI: InChI=1S/C21H25NO5/c1-5-27-21(24)17-12(2)22-14-9-7-10-15(23)19(14)18(17)13-8-6-11-16(25-3)20(13)26-4/h6,8,11,18-19H,5,7,9-10H2,1-4H3/t18-,19+/m0/s1
SMILES: C[C@H]1C[C@@]([C@@H](C[NH+]1C)C)(CC[NH+](CC#N)CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI: InChI=1S/C26H35N3O/c1-21-19-28(3)22(2)18-26(21,24-8-6-5-7-9-24)14-16-29(17-15-27)20-23-10-12-25(30-4)13-11-23/h5-13,21-22H,14,16-20H2,1-4H3/p+2/t21-,22+,26-/m1/s1
SMILES: C1[C@H]([C@@H](C2C1C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)Br)O
InChI: InChI=1S/C19H17BrO2/c20-17-15(21)11-14-16(17)19(18(14)22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,21H,11H2/t14?,15-,16?,17+/m1/s1
SMILES: C1[C@@H]([C@@H]1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C16H14N2O3/c19-16(12-6-8-13(9-7-12)18(20)21)17-15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,17,19)/t14-,15-/m1/s1
SMILES: CC(=O)C([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C32H35NO9/c1-22(34)27(32(35)38-2)30-28(33(36)37)31(41-20-25-16-10-5-11-17-25)29(40-19-24-14-8-4-9-15-24)26(42-30)21-39-18-23-12-6-3-7-13-23/h3-17,26-31H,18-21H2,1-2H3/t26-,27?,28+,29+,30+,31-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)CC3=CC(=CC(=C3)C)C
InChI: InChI=1S/C21H20F3NO3/c1-12-8-13(2)10-15(9-12)11-18-14(3)19(26)25(20(18)27)16-4-6-17(7-5-16)28-21(22,23)24/h4-10,14,18H,11H2,1-3H3/t14-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([P@@](=O)([C@H]([C@H]1OC(=O)C)OC(=O)C)OC)COCC2=CC=CC=C2
InChI: InChI=1S/C19H25O9P/c1-12(20)26-17-16(11-25-10-15-8-6-5-7-9-15)29(23,24-4)19(28-14(3)22)18(17)27-13(2)21/h5-9,16-19H,10-11H2,1-4H3/t16-,17-,18+,19-,29+/m1/s1
SMILES: C1=C(C=C(C2=C1[C@@H]3[C@@H]([C@@H](SC4=C3SC(=O)N4)C(=O)O)C(=O)O2)Cl)Cl
InChI: InChI=1S/C14H7Cl2NO5S2/c15-3-1-4-6-7(13(20)22-8(4)5(16)2-3)10(12(18)19)23-11-9(6)24-14(21)17-11/h1-2,6-7,10H,(H,17,21)(H,18,19)/t6-,7+,10-/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C#N)O3
InChI: InChI=1S/C13H11NO3S/c14-8-10-11-6-7-12(17-11)13(10)18(15,16)9-4-2-1-3-5-9/h1-7,10-13H/t10-,11-,12+,13+/m1/s1
SMILES: CC(C)(C)OC(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2OC)COC
InChI: InChI=1S/C14H21NO7S/c1-14(2,3)22-13(17)9-8(6-20-4)7-23(18,19)12-10(21-5)11(16)15(9)12/h10,12H,6-7H2,1-5H3/t10-,12+/m0/s1
SMILES: C[C@@]12[C@@H]3C=C[C@H]([C@@H]1C(=O)[C@@]4([C@@H]5C=C[C@H]([C@@H]4C2=O)C5(OC)OC)C)C3(OC)OC
InChI: InChI=1S/C22H28O6/c1-19-13-9-7-11(21(13,25-3)26-4)15(19)18(24)20(2)14-10-8-12(16(20)17(19)23)22(14,27-5)28-6/h7-16H,1-6H3/t11-,12-,13+,14+,15-,16-,19-,20-/m1/s1
SMILES: C1COCCN1C2=CC(=CC=C2)OC3=NN=NN3[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5NC(=O)NC6=CC=C(C=C6)OC7=CC=CC=C7
InChI: InChI=1S/C30H31N7O6/c38-29(31-20-9-11-23(12-10-20)42-22-6-2-1-3-7-22)32-25-18-40-28-26(19-41-27(25)28)37-30(33-34-35-37)43-24-8-4-5-21(17-24)36-13-15-39-16-14-36/h1-12,17,25-28H,13-16,18-19H2,(H2,31,32,38)/t25-,26-,27+,28+/m0/s1
SMILES: CC1(CCCC2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)C
InChI: InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19?,20-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=CS4
InChI: InChI=1S/C19H17N5S/c1-24-11-4-5-14(24)16-12(7-11)13(8-20)18(23)19(9-21,10-22)17(16)15-3-2-6-25-15/h2-3,6-7,11,14,16-17H,4-5,23H2,1H3/t11-,14+,16-,17-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCC(=O)N(C)CC(=O)O
InChI: InChI=1S/C41H68N2O5/c1-27(2)28-17-22-41(36(48)42-25-13-11-9-10-12-14-33(45)43(8)26-34(46)47)24-23-39(6)29(35(28)41)15-16-31-38(5)20-19-32(44)37(3,4)30(38)18-21-40(31,39)7/h28-32,35,44H,1,9-26H2,2-8H3,(H,42,48)(H,46,47)/t28-,29+,30-,31+,32-,35+,38-,39+,40+,41-/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C42H33N3O6/c1-50-31-21-14-25(15-22-31)12-13-26-16-23-33-32(24-26)42(41(49)44-33)34(39(43)47)36-40(48)51-37(28-10-6-3-7-11-28)35(27-8-4-2-5-9-27)45(36)38(42)29-17-19-30(46)20-18-29/h2-11,14-24,34-38,46H,1H3,(H2,43,47)(H,44,49)/t34-,35-,36-,37+,38+,42-/m1/s1
SMILES: CC[C@H]1C[C@](OO[C@H]1CC(=O)OC)(CC)/C=C/C[C@@H](CC)CO
InChI: InChI=1S/C18H32O5/c1-5-14(13-19)9-8-10-18(7-3)12-15(6-2)16(22-23-18)11-17(20)21-4/h8,10,14-16,19H,5-7,9,11-13H2,1-4H3/b10-8+/t14-,15+,16+,18+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)O)O)O
InChI: InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(24)29-17-18-20(25)21(26)22(27)23(28-2)30-18/h18,20-23,25-27H,3-17H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O
InChI: InChI=1S/C18H27N3O5/c1-12-6-2-3-7-13(12)19-14(22)11-26-15(23)10-21-16(24)18(20-17(21)25)8-4-5-9-18/h12-13H,2-11H2,1H3,(H,19,22)(H,20,25)/t12-,13+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(NC(=O)C[C@@H](CC3CCCC(O3)CC4CCOC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)[C@@H](C)O
InChI: InChI=1S/C45H75NO12/c1-6-7-8-9-10-11-12-13-14-15-16-20-40(50)57-43-32(26-41(51)53-5)25-37-30-38(31(2)47)46-39(49)28-33(48)27-34-18-17-19-35(55-34)29-36-22-24-54-42(56-36)21-23-44(3,4)45(43,52)58-37/h21,23,26,31,33-38,42-43,47-48,52H,6-20,22,24-25,27-30H2,1-5H3,(H,46,49)/b23-21+,32-26+/t31-,33-,34?,35?,36?,37+,38?,42?,43+,45-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)OCOC(=O)C(C)(C)C)C
InChI: InChI=1S/C14H22N2O5S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(15)9(17)16(8)10/h7-8,10H,6,15H2,1-5H3/t7-,8+,10-/m1/s1
SMILES: C1=CC=C(C(=C1)CC2=CC=C(C=C2)C(F)(F)F)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)CO)O)O)O
InChI: InChI=1S/C20H21F3O5S/c21-20(22,23)13-7-5-11(6-8-13)9-12-3-1-2-4-14(12)28-19-18(27)17(26)16(25)15(10-24)29-19/h1-8,15-19,24-27H,9-10H2/t15-,16-,17+,18-,19-/m1/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CCCO)NC4=O)C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C46H47N3O7/c50-27-15-12-16-31-23-24-36-35(30-31)46(45(54)47-36)38(43(52)48-25-13-2-1-3-14-26-48)40-44(53)56-41(33-19-8-5-9-20-33)39(32-17-6-4-7-18-32)49(40)42(46)34-21-10-11-22-37(34)55-29-28-51/h4-11,17-24,30,38-42,50-51H,1-3,13-15,25-29H2,(H,47,54)/t38-,39-,40-,41+,42+,46-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C(=O)N2CCCC(=O)[O-])S(=O)(=O)C
InChI: InChI=1S/C16H19NO7S/c1-24-11-7-5-10(6-8-11)13-15(25(2,22)23)14(20)16(21)17(13)9-3-4-12(18)19/h5-8,13,15H,3-4,9H2,1-2H3,(H,18,19)/p-1/t13-,15-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)N(C)C)C(=O)N4CCC[C@@H]4C(=O)NCCO)CCCCC
InChI: InChI=1S/C37H53N3O8/c1-5-7-9-19-37(20-10-8-6-2)47-31-25-28(35(44)40-22-11-12-29(40)34(43)38-21-23-41)24-30(33(31)48-37)46-36(45)27-16-13-26(14-17-27)15-18-32(42)39(3)4/h13-18,25,29-31,33,41H,5-12,19-24H2,1-4H3,(H,38,43)/t29-,30-,31-,33+/m1/s1
SMILES: C1C[C@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N
InChI: InChI=1S/C28H29N3O6S/c29-38(36,37)25-7-2-1-4-22(25)20-12-8-18(9-13-20)16-30-26(32)23-5-3-6-24(23)27(33)31-17-19-10-14-21(15-11-19)28(34)35/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,30,32)(H,31,33)(H,34,35)(H2,29,36,37)/t23-,24-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H]([C@H]([C@@H](O6)OCC)CCOCCOCCO)C7=CC=C(C=C7)C(=O)OC)OC)OC)OC)OC
InChI: InChI=1S/C51H68N2O12/c1-8-32-31-52-17-14-35-26-44(57-3)46(59-5)29-40(35)42(52)24-37(32)25-43-41-30-47(60-6)45(58-4)27-36(41)15-18-53(43)49(55)48-28-39(33-10-12-34(13-11-33)50(56)61-7)38(51(65-48)64-9-2)16-20-62-22-23-63-21-19-54/h10-13,26-30,32,37-39,42-43,51,54H,8-9,14-25,31H2,1-7H3/t32-,37+,38+,39+,42-,43+,51+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=C(C=C6)OC(F)(F)F)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C48H51F6NO7/c1-42-17-14-33(56)25-44(42)20-21-46(35(26-44)41(58)31-6-5-7-32(24-31)47(49,50)51)38(42)15-18-43(2)39(46)16-19-45(43,59)28-55(27-29-8-11-34(12-9-29)62-48(52,53)54)40(57)23-30-10-13-36(60-3)37(22-30)61-4/h5-13,20-22,24,26,33,38-39,56,59H,14-19,23,25,27-28H2,1-4H3/t33?,38-,39-,42-,43+,44+,45-,46-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC)C)O
InChI: InChI=1S/C20H34O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1
SMILES: CCOC(=O)[C@]1(C(=O)N2[C@]1(SCCC2)C3=CC=CC=C3)SC4=CC=CC=C4
InChI: InChI=1S/C21H21NO3S2/c1-2-25-19(24)20(27-17-12-7-4-8-13-17)18(23)22-14-9-15-26-21(20,22)16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3/t20-,21-/m0/s1
SMILES: C1C[C@H]([C@@H](C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=C(O4)C=C(C=C5)F)F
InChI: InChI=1S/C26H20F2N2O4/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H28N2O/c27-24(21-10-8-20(9-11-21)19-4-2-1-3-5-19)26-14-12-25(13-15-26)23-17-18-6-7-22(23)16-18/h1-5,8-11,18,22-23H,6-7,12-17H2/t18-,22-,23-/m0/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)S(=O)C8=CC=CC=C8)C
InChI: InChI=1S/C34H35N3O6S/c1-30(2)15-16-42-26-22(43-30)12-11-21-25(26)35-28(39)34(21)18-33-19-37-27(38)23(44(41)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+,44?/m0/s1
SMILES: C[C@@H]1CC[C@H]2C(=C)C(O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)(C(F)(F)F)NC5=CC=CC=C5
InChI: InChI=1S/C22H26F3NO4/c1-13-9-10-17-14(2)21(22(23,24)25,26-15-7-5-4-6-8-15)28-18-20(17)16(13)11-12-19(3,27-18)29-30-20/h4-8,13,16-18,26H,2,9-12H2,1,3H3/t13-,16?,17+,18+,19+,20-,21?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=C(C(=O)C[C@H]2CC(C)C)[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C35H57NO3Si/c1-23(2)19-29-21-31(37)33(40(24(3)4,25(5)6)26(7)8)22-36(29)34(38)39-32-20-27(9)17-18-30(32)35(10,11)28-15-13-12-14-16-28/h12-16,22-27,29-30,32H,17-21H2,1-11H3/t27-,29-,30-,32-/m1/s1
SMILES: CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)[C@@H](C)C4=CC=CC=C4)O2
InChI: InChI=1S/C21H25NO4/c1-3-4-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)14(2)15-8-6-5-7-9-15/h5-11,14,16-18H,3-4,12-13H2,1-2H3/t14-,16+,17-,18-,21+/m0/s1
SMILES: CC1=C2C(=O)C(=O)[C@]3(C/C(=C\[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/C(=O)[C@@H]4[C@H]3O4)C
InChI: InChI=1S/C24H28O8/c1-10-15(30-11(2)25)8-14-16(31-12(3)26)7-13-9-24(6,22-20(32-22)18(13)27)21(29)19(28)17(10)23(14,4)5/h7,14-16,20,22H,8-9H2,1-6H3/b13-7+/t14-,15-,16-,20+,22+,24+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C26H32N2O5Si/c1-18-16-28(25(31)27-24(18)30)23-15-21(29)22(33-23)17-32-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16,21-23,29H,15,17H2,1-4H3,(H,27,30,31)/t21-,22+,23+/m0/s1
SMILES: CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)/C=C/C5=CC=C(C=C5)O)C(=O)OC
InChI: InChI=1S/C23H20N2O5/c1-12-19(22(29)30-2)20-21(24-12)16(27)9-17-23(20)10-14(23)11-25(17)18(28)8-5-13-3-6-15(26)7-4-13/h3-9,14,24,26H,10-11H2,1-2H3/b8-5+/t14-,23+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4
InChI: InChI=1S/C19H20ClNO6/c20-14-7-11(8-15-17(14)27-10-26-15)9-25-16(22)5-6-21-18(23)12-3-1-2-4-13(12)19(21)24/h7-8,12-13H,1-6,9-10H2/t12-,13-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@H]([C@H]1OCC2=CC=CC=C2)N=[N+]=[N-])O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)SC)COCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C50H55N3O10S/c1-35(54)60-44-41(33-55-28-36-18-8-3-9-19-36)61-49(43(52-53-51)46(44)57-30-38-22-12-5-13-23-38)63-45-42(34-56-29-37-20-10-4-11-21-37)62-50(64-2)48(59-32-40-26-16-7-17-27-40)47(45)58-31-39-24-14-6-15-25-39/h3-27,41-50H,28-34H2,1-2H3/t41-,42-,43+,44-,45-,46-,47+,48-,49+,50+/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=C4CNC(=O)C5=CN=CC=C5)CSC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C39H36N2O6S/c1-25-34(24-48-35-11-5-4-10-33(35)38(44)45)46-39(47-36(25)28-14-12-26(23-42)13-15-28)29-18-16-27(17-19-29)32-9-3-2-7-30(32)22-41-37(43)31-8-6-20-40-21-31/h2-21,25,34,36,39,42H,22-24H2,1H3,(H,41,43)(H,44,45)/t25-,34+,36+,39+/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)NC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=NN=NN7C8=CC=CC=C8
InChI: InChI=1S/C37H42N6O4S/c1-23-32(22-48-36-40-41-42-43(36)31-8-3-2-4-9-31)46-34(47-33(23)28-12-10-24(21-44)11-13-28)29-6-5-7-30(17-29)38-35(45)39-37-18-25-14-26(19-37)16-27(15-25)20-37/h2-13,17,23,25-27,32-34,44H,14-16,18-22H2,1H3,(H2,38,39,45)/t23-,25?,26?,27?,32+,33+,34+,37?/m1/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=CC=CC=[N+]4C)C(=O)O
InChI: InChI=1S/C23H24N6O7S3/c1-23(2,21(34)35)36-27-14(12-10-39-22(24)25-12)17(30)26-15-18(31)29-16(20(32)33)11(9-38-19(15)29)8-37-13-6-4-5-7-28(13)3/h4-7,10,15,19H,8-9H2,1-3H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b27-14-/t15-,19-/m1/s1
SMILES: C([C@@H]([C@H]1[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N)O)O
InChI: InChI=1S/C7H15NO5/c8-4-3(2(10)1-9)5(11)7(13)6(4)12/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7-/m0/s1
SMILES: CCCCCCCC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)C4=C1C=C(C=C4)O
InChI: InChI=1S/C25H36O2/c1-3-4-5-6-7-8-17-15-22-20(19-10-9-18(26)16-21(17)19)13-14-25(2)23(22)11-12-24(25)27/h9-10,15-16,20,22-24,26-27H,3-8,11-14H2,1-2H3/t20-,22-,23+,24+,25+/m1/s1
SMILES: C[C@]12C[C@@H](C3C(C1CC[C@@]2(CCCOC(=O)C[C@@H](C[C@@H](CC(=O)O)O)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C29H42O9/c1-27-9-6-18(30)12-17(27)4-5-21-22-7-10-29(37,28(22,2)16-23(33)26(21)27)8-3-11-38-25(36)15-20(32)13-19(31)14-24(34)35/h6,9,12,19-23,26,31-33,37H,3-5,7-8,10-11,13-16H2,1-2H3,(H,34,35)/t19-,20+,21?,22?,23-,26?,27-,28-,29+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C[C@@H]2[C@H](O2)CC(C)C)C(C)C
InChI: InChI=1S/C20H31NO2/c1-13(2)11-18-19(23-18)12-17(14(3)4)20(22)21-15(5)16-9-7-6-8-10-16/h6-10,13-15,17-19H,11-12H2,1-5H3,(H,21,22)/t15-,17-,18+,19+/m0/s1
SMILES: C1[C@@H]([C@H]2[C@H]([C@H](O1)CO2)O[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C11H18O8/c12-1-5-7(14)8(15)11(18-5)19-10-6-3-17-9(10)4(13)2-16-6/h4-15H,1-3H2/t4-,5+,6+,7+,8-,9-,10-,11+/m0/s1