EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]1(CC(=O)[C@@H]([C@H]([C@H]1C(=O)OC)C2=CC(=C(C=C2)O)OC)C(=O)OC)O
InChI: InChI=1S/C18H22O8/c1-18(23)8-11(20)14(16(21)25-3)13(15(18)17(22)26-4)9-5-6-10(19)12(7-9)24-2/h5-7,13-15,19,23H,8H2,1-4H3/t13-,14+,15+,18-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C27H28N4O5S2/c1-18-24(16-37-27-28-17-29-30-27)35-26(36-25(18)20-12-10-19(15-32)11-13-20)21-6-5-7-22(14-21)31-38(33,34)23-8-3-2-4-9-23/h2-14,17-18,24-26,31-32H,15-16H2,1H3,(H,28,29,30)/t18-,24+,25+,26?/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)SC4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H21ClN2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)23-15-6-4-14(20)5-7-15/h3-8,11,17,19H,9-10,12H2,1-2H3/p+1/t17-,19+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)CC(COC4=CC=CC=C4)O
InChI: InChI=1S/C24H28N2O5/c1-17-22-21(12-13-25(22)24(29)31-15-18-8-4-2-5-9-18)26(23(17)28)14-19(27)16-30-20-10-6-3-7-11-20/h2-11,17,19,21-22,27H,12-16H2,1H3/t17-,19?,21-,22+/m0/s1
SMILES: CCOC(=O)/C=C/[C@H]1C[C@H]2C=CC(=O)[C@@]1([C@@]2(CSC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C21H34O5SSi/c1-8-25-18(23)12-10-16-13-15-9-11-17(22)21(16,24)20(15,14-27-5)26-28(6,7)19(2,3)4/h9-12,15-16,24H,8,13-14H2,1-7H3/b12-10+/t15-,16+,20+,21+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2C3=CC(=C(C=C3[C@@H]4CCCC[C@H]4O2)OC)OC
InChI: InChI=1S/C24H30O6/c1-25-19-12-16-15-8-6-7-9-18(15)30-23(17(16)13-20(19)26-2)14-10-21(27-3)24(29-5)22(11-14)28-4/h10-13,15,18,23H,6-9H2,1-5H3/t15-,18+,23-/m0/s1
SMILES: CNC[C@@H]1CC[C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H]([C@H](O[C@H]2N)O[C@@H]3C[C@H]([C@@H]([C@H](O3)CO)O)N)NC)O)N
InChI: InChI=1S/C19H39N5O8/c1-23-6-8-3-4-9(20)18(28-8)31-16-15(27)13(24-2)19(32-17(16)22)30-12-5-10(21)14(26)11(7-25)29-12/h8-19,23-27H,3-7,20-22H2,1-2H3/t8-,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19-/m0/s1
SMILES: CN1C2=CC=CC=C2[C@@]3(C1=O)CCN[C@H]3C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H20N2O2/c1-21-16-6-4-3-5-15(16)19(18(21)22)11-12-20-17(19)13-7-9-14(23-2)10-8-13/h3-10,17,20H,11-12H2,1-2H3/t17-,19-/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@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSC7=CC=CC=N7
InChI: InChI=1S/C47H47N3O6S2/c1-32-14-24-41(25-15-32)58(53,54)50-42(28-34-9-4-3-5-10-34)46(52)49-29-36-11-8-12-40(27-36)37-20-22-39(23-21-37)47-55-43(31-57-44-13-6-7-26-48-44)33(2)45(56-47)38-18-16-35(30-51)17-19-38/h3-27,33,42-43,45,47,50-51H,28-31H2,1-2H3,(H,49,52)/t33-,42+,43+,45+,47+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]([C@@H]2O1)C3=NC4=CC=CC=C4N3)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C
InChI: InChI=1S/C31H36N2O4Si/c1-30(2,3)38(21-14-8-6-9-15-21,22-16-10-7-11-17-22)34-20-25-26-27(37-31(4,5)36-26)28(35-25)29-32-23-18-12-13-19-24(23)33-29/h6-19,25-28H,20H2,1-5H3,(H,32,33)/t25-,26-,27-,28+/m1/s1
SMILES: CC1=CC(=C(C=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C
InChI: InChI=1S/C18H24N2O5/c1-11-7-8-15(12(2)9-11)25-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(23)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t13-,14+/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)C2=CC=C(C=C2)C)C(=O)[O-])C
InChI: InChI=1S/C17H20O3/c1-10-4-6-13(7-5-10)16(18)14-8-11(2)12(3)9-15(14)17(19)20/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)/p-1/t14-,15-/m1/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2[C@]4(CCC=C5[C@@H]4N(C(=O)CC5)CC6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C33H32N2O6S/c1-40-26-15-17-27(18-16-26)42(38,39)35-28-13-7-6-11-25(28)21-29(35)33(32(37)41-2)20-8-12-24-14-19-30(36)34(31(24)33)22-23-9-4-3-5-10-23/h3-7,9-13,15-18,21,31H,8,14,19-20,22H2,1-2H3/t31-,33-/m0/s1
SMILES: C1[C@H]2[C@H](O2)[C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C13H14O4/c1-2-4-8(5-3-1)13-15-6-9-11(17-13)12-10(16-12)7-14-9/h1-5,9-13H,6-7H2/t9-,10+,11-,12+,13-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC(=C(C=C9)C)Cl
InChI: InChI=1S/C43H38Cl2N4O6S/c1-6-55-32-9-7-8-26(37(32)50)36-24-13-14-25-35(41(53)48(39(25)51)23-12-10-20(2)30(45)17-23)28(24)18-29-40(52)49(42(54)43(29,36)4)34-19-31(46-47(34)5)38-21(3)27-16-22(44)11-15-33(27)56-38/h7-13,15-17,19,25,28-29,35-36,50H,6,14,18H2,1-5H3/t25-,28+,29-,35-,36+,43+/m0/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO)C(=O)OCCCl
InChI: InChI=1S/C39H50ClFN2O8/c1-4-20-50-39-35(43(2)38(46)48-21-17-40)24-33(42-47-3)30-22-26(11-7-9-18-44)29(13-8-10-19-45)36(37(30)39)31-23-28(15-16-34(31)51-39)49-25-27-12-5-6-14-32(27)41/h4-6,12,14-16,22-23,26,29,35-37,44-45H,1,7-11,13,17-21,24-25H2,2-3H3/t26-,29+,35-,36+,37+,39+/m0/s1
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC#C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
InChI: InChI=1S/C29H41NO6S/c1-8-10-21-26(33)17(2)11-9-12-29(7)24(36-29)14-22(18(3)13-20-16-37-19(4)30-20)35-25(32)15-23(31)28(5,6)27(21)34/h1,13,16-17,21-24,26,31,33H,9-12,14-15H2,2-7H3/b18-13+/t17-,21+,22-,23-,24-,26-,29+/m0/s1
SMILES: CCCCC/C=C\C[C@@H]([C@H](/C=C/[C@H]1C[C@@H]1[C@H]2CCCC(=O)O2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H36O6/c1-4-5-6-7-8-9-11-22(28-17(2)25)23(29-18(3)26)15-14-19-16-20(19)21-12-10-13-24(27)30-21/h8-9,14-15,19-23H,4-7,10-13,16H2,1-3H3/b9-8-,15-14+/t19-,20-,21+,22-,23-/m0/s1
SMILES: C[C@@H]1CC(=NC1)C(=O)[C@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C27H41NO3/c1-15-11-23(28-14-15)25(31)16(2)19-5-6-20-18-13-24(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h15-22,29H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,26-,27-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)C3=CN=C(N=C3)OC)/C)[C@H](C)O
InChI: InChI=1S/C22H32N2O7/c1-11(5-16(26)15-8-23-22(29-4)24-9-15)6-17-20(28)19(27)14(10-30-17)7-18-21(31-18)12(2)13(3)25/h5,8-9,12-14,17-21,25,27-28H,6-7,10H2,1-4H3/b11-5+/t12-,13-,14-,17-,18-,19+,20-,21-/m0/s1
SMILES: C=CC1=CC[C@H]2C(=O)C(=CC(=O)[C@]2([C@H]1C3=C(C=CC(=C3)Br)O)Br)Br
InChI: InChI=1S/C18H13Br3O3/c1-2-9-3-5-12-17(24)13(20)8-15(23)18(12,21)16(9)11-7-10(19)4-6-14(11)22/h2-4,6-8,12,16,22H,1,5H2/t12-,16+,18+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@@H]([C@@]2([13CH2]O2)C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)OCC8=CC=CC=C8)C
InChI: InChI=1S/C51H58O10/c1-50(2)58-35-44(61-50)47(56-32-40-24-14-6-15-25-40)49(52)51(36-59-51)28-42-45(54-30-38-20-10-4-11-21-38)48(57-33-41-26-16-7-17-27-41)46(55-31-39-22-12-5-13-23-39)43(60-42)34-53-29-37-18-8-3-9-19-37/h3-27,42-49,52H,28-36H2,1-2H3/t42-,43-,44-,45+,46-,47-,48-,49+,51+/m1/s1/i36+1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]([C@]34C[C@H]3CCC4=C)O)C
InChI: InChI=1S/C27H44O/c1-18(2)8-6-9-19(3)23-13-14-24-21(10-7-15-26(23,24)5)16-25(28)27-17-22(27)12-11-20(27)4/h16,18-19,22-25,28H,4,6-15,17H2,1-3,5H3/b21-16+/t19-,22-,23-,24+,25-,26-,27+/m1/s1
SMILES: C[C@H]1[C@H]2C(C[C@@H]3C2(CCC4C3CCC5C4(CCC(C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)C)C)OC18CCC(CO8)C
InChI: InChI=1S/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18?,19-,20?,21?,22?,23?,24-,25+,26?,27+,28-,29-,30+,31+,32+,33+,34-,35+,36?,37?,38?/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C(C)(C)C)NC(=O)C5CCCCC5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C43H59NO13/c1-22-26(55-38(52)31(48)33(39(3,4)5)44-36(50)24-15-11-9-12-16-24)20-43(53)35(56-37(51)25-17-13-10-14-18-25)32-41(8,34(49)30(47)29(22)40(43,6)7)27(46)19-28-42(32,21-54-28)57-23(2)45/h10,13-14,17-18,24,26-28,30-33,35,46-48,53H,9,11-12,15-16,19-21H2,1-8H3,(H,44,50)/t26-,27-,28+,30+,31+,32-,33+,35-,41+,42-,43+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C37H37N3O4S/c1-25-33(24-45-37-38-18-19-40(37)2)43-36(44-34(25)28-16-14-26(23-41)15-17-28)32-13-7-12-31(21-32)30-11-6-8-27(20-30)22-39-35(42)29-9-4-3-5-10-29/h3-21,25,33-34,36,41H,22-24H2,1-2H3,(H,39,42)/t25-,33+,34+,36+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C[C@]([C@H]2C(=O)OC(C)C)(C)O)C(=O)OC(C)C
InChI: InChI=1S/C24H34O6/c1-13(2)16-8-10-17(11-9-16)19-20(22(26)29-14(3)4)18(25)12-24(7,28)21(19)23(27)30-15(5)6/h8-11,13-15,19-21,28H,12H2,1-7H3/t19-,20+,21-,24+/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)Br
InChI: InChI=1S/C35H18BrCl2F11N2O6/c1-57-18-8-12(36)7-16(27(18)52)20-14-2-3-15-19(29(54)50(28(15)53)13-5-10(34(44,45)46)4-11(6-13)35(47,48)49)17(14)9-32(37)30(55)51(31(56)33(20,32)38)26-24(42)22(40)21(39)23(41)25(26)43/h2,4-8,15,17,19-20,52H,3,9H2,1H3/t15-,17+,19-,20+,32+,33-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-])O
InChI: InChI=1S/C41H34Cl2N4O9/c1-3-56-34-18-21(4-17-33(34)48)36-27-14-15-28-35(39(51)45(37(28)49)24-8-10-25(11-9-24)47(53)54)29(27)20-30-38(50)46(44-32-16-7-23(42)19-31(32)43)40(52)41(30,36)22-5-12-26(55-2)13-6-22/h4-14,16-19,28-30,35-36,44,48H,3,15,20H2,1-2H3/t28-,29+,30-,35-,36-,41+/m0/s1
SMILES: C[N+]1=CC=CN=C1SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=C\P(=O)(OC)OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OCC8=CC=C(C=C8)OC.[I-]
InChI: InChI=1S/C48H45N6O8PS3.HI/c1-53-26-14-25-49-47(53)66-30-33-29-64-44-40(43(56)54(44)41(33)45(57)62-27-32-21-23-37(59-2)24-22-32)51-42(55)38(28-63(58,60-3)61-4)39-31-65-46(50-39)52-48(34-15-8-5-9-16-34,35-17-10-6-11-18-35)36-19-12-7-13-20-36;/h5-26,28,31,40,44H,27,29-30H2,1-4H3,(H-,50,51,52,55);1H/b38-28-;/t40-,44-;/m1./s1
SMILES: CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N[C@H]3CCC[C@H]([C@@H]3C)C
InChI: InChI=1S/C22H29NO5/c1-5-26-16-9-10-19-17(11-16)15(4)21(28-19)22(25)27-12-20(24)23-18-8-6-7-13(2)14(18)3/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,23,24)/t13-,14+,18+/m1/s1
SMILES: CCCCO[C@H]1[C@]([C@]([C@]([C@H](O1)CO)(C2=CC(=C(C(=C2)OC)O)O)O)(COC)O)(CC3=CC(=C(C(=C3)OC)O)OC)O
InChI: InChI=1S/C28H40O13/c1-6-7-8-40-25-26(33,13-16-9-19(37-3)24(32)20(10-16)38-4)27(34,15-36-2)28(35,22(14-29)41-25)17-11-18(30)23(31)21(12-17)39-5/h9-12,22,25,29-35H,6-8,13-15H2,1-5H3/t22-,25-,26+,27+,28-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2[C@@H](CCC2=C(C1=O)C3=CC=CC=C3)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C26H38O4Si/c1-8-29-26(28)24-23-20(22(25(24)27)19-12-10-9-11-13-19)14-15-21(23)30-31(16(2)3,17(4)5)18(6)7/h9-13,16-18,21,23-24H,8,14-15H2,1-7H3/t21-,23-,24-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)NC
InChI: InChI=1S/C23H31N3O5/c1-14-6-4-9-19(15(14)2)26-12-17(11-21(26)28)23(30)31-13-20(27)25-18-8-5-7-16(10-18)22(29)24-3/h5,7-8,10,14-15,17,19H,4,6,9,11-13H2,1-3H3,(H,24,29)(H,25,27)/t14-,15+,17+,19+/m0/s1
SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O)O.[Cl-]
InChI: InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9;/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C63H79FN4O10/c1-3-5-6-7-8-9-10-11-12-18-37-65-62(72)77-52-34-35-57-55(42-52)60-53(24-17-20-39-70)49(23-16-19-38-69)41-54-56(66-76-45-48-21-14-13-15-22-48)43-58(63(78-57,61(54)60)75-40-4-2)67(44-47-25-30-50(64)31-26-47)59(71)36-29-46-27-32-51(33-28-46)68(73)74/h4,13-15,21-22,25-36,41-42,49,53,58,60-61,69-70H,2-3,5-12,16-20,23-24,37-40,43-45H2,1H3,(H,65,72)/t49-,53+,58-,60+,61+,63+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC
InChI: InChI=1S/C20H29N3O6/c1-13-5-4-6-17(14(13)2)22-19(24)12-29-20(25)16-11-15(23(26)27)7-8-18(16)21-9-10-28-3/h7-8,11,13-14,17,21H,4-6,9-10,12H2,1-3H3,(H,22,24)/t13-,14-,17+/m1/s1
SMILES: COC1C=C(C[C@@H]([C@H]1C(=O)C2=CC=CO2)C(F)(F)Cl)O[Si](C)(C)C
InChI: InChI=1S/C16H21ClF2O4Si/c1-21-13-9-10(23-24(2,3)4)8-11(16(17,18)19)14(13)15(20)12-6-5-7-22-12/h5-7,9,11,13-14H,8H2,1-4H3/t11-,13?,14+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C4N=CN(C5=O)CCC#N)N=[N+]=[N-]
InChI: InChI=1S/C23H27N10O9P/c1-13-8-32(23(36)28-21(13)34)18-7-15(29-30-25)16(42-18)10-40-43(37,38)39-9-14-3-4-17(41-14)33-12-26-19-20(33)27-11-31(22(19)35)6-2-5-24/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H,37,38)(H,28,34,36)/t14-,15-,16+,17+,18+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O
InChI: InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2/t18-,21+/m0/s1
SMILES: CC(=CCCC(C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C
InChI: InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)24-12-11-22-28(6)17-13-21-26(3,4)25(31)15-19-27(21,5)23(28)14-18-29(22,24)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22-,23+,24-,27-,28-,29-,30?/m0/s1
SMILES: CCCC1=C(C(=CC=C1)CCC)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C33H38N2O6/c1-4-7-21-9-6-10-22(8-5-2)31(21)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6,9-17,26,30,32H,4-5,7-8,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
SMILES: C1[C@@H](N2[C@@H]([C@H](O[C@H]2C3=CC=CO3)C4=CC=CO4)C(=O)O1)C5=CC=CC=C5
InChI: InChI=1S/C20H17NO5/c22-20-17-18(15-8-4-10-23-15)26-19(16-9-5-11-24-16)21(17)14(12-25-20)13-6-2-1-3-7-13/h1-11,14,17-19H,12H2/t14-,17+,18-,19+/m1/s1
SMILES: CCN(CC)CCC(=O)O[C@H]1CCCC[C@@H]1[S@](=O)CC2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C24H39NO3S/c1-6-25(7-2)17-16-23(26)28-21-10-8-9-11-22(21)29(27)18-19-12-14-20(15-13-19)24(3,4)5/h12-15,21-22H,6-11,16-18H2,1-5H3/t21-,22-,29+/m0/s1
SMILES: C[C@@H]1[C@H]([Si](O[C@](C1=O)(C(F)(F)F)O)(C(C)(C)C)C(C)(C)C)C
InChI: InChI=1S/C15H27F3O3Si/c1-9-10(2)22(12(3,4)5,13(6,7)8)21-14(20,11(9)19)15(16,17)18/h9-10,20H,1-8H3/t9-,10-,14-/m1/s1
SMILES: C1OC2=C(O1)C=C3C(=C2)C4=CC([C@H]([C@H]([C@@H]4NC3=O)O)O)O
InChI: InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8?,11-,12-,13+/m1/s1
SMILES: C[C@@]1(C(=O)N(C(=O)N1)[C@H]2CS(=O)(=O)C[C@@H]2O)C3=CC4=C(C=C3)C=C(C=C4)OC
InChI: InChI=1S/C19H20N2O6S/c1-19(13-5-3-12-8-14(27-2)6-4-11(12)7-13)17(23)21(18(24)20-19)15-9-28(25,26)10-16(15)22/h3-8,15-16,22H,9-10H2,1-2H3,(H,20,24)/t15-,16-,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H](C#CC1=CC=CC=C1)[C@@]23CCCC[C@@H]2COC3=O
InChI: InChI=1S/C23H32O3Si/c1-22(2,3)27(4,5)26-20(15-14-18-11-7-6-8-12-18)23-16-10-9-13-19(23)17-25-21(23)24/h6-8,11-12,19-20H,9-10,13,16-17H2,1-5H3/t19-,20-,23-/m1/s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C16H20N2O2/c1-10(19)17-13-3-2-4-14(9-13)18-16(20)15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8H2,1H3,(H,17,19)(H,18,20)/t11-,12+,15-/m0/s1
SMILES: C1CCN2CCC[C@H]([C@@H]2C1)CN=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]
InChI: InChI=1S/C19H25N3O4/c23-22(24)17-8-15(19-16(9-17)12-25-13-26-19)11-20-10-14-4-3-7-21-6-2-1-5-18(14)21/h8-9,11,14,18H,1-7,10,12-13H2/t14-,18-/m0/s1
SMILES: CC[C@H]1[C@H](C/C=C\C[C@H]([C@@H](O1)C/C=C\C#C[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C)Br
InChI: InChI=1S/C27H49BrO2Si2/c1-10-24-23(28)19-16-17-21-26(30-31(8,9)27(5,6)7)25(29-24)20-15-14-18-22-32(11-2,12-3)13-4/h14-17,23-26H,10-13,19-21H2,1-9H3/b15-14-,17-16-/t23-,24-,25-,26+/m0/s1
SMILES: CC[C@@H](C(=O)N1CC[C@]2(CCCC[C@@H]2C1)O)NS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H30N2O4S/c1-3-18(21-27(25,26)17-9-7-15(2)8-10-17)19(23)22-13-12-20(24)11-5-4-6-16(20)14-22/h7-10,16,18,21,24H,3-6,11-14H2,1-2H3/t16-,18+,20+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C18H28N4O3S2/c1-12-7-5-10-16(13(12)2)19-18(26)21-20-17(23)14-8-6-9-15(11-14)27(24,25)22(3)4/h6,8-9,11-13,16H,5,7,10H2,1-4H3,(H,20,23)(H2,19,21,26)/t12-,13+,16-/m0/s1
SMILES: C[C@H]1[C@@H](CC[C@@H]2N1[C@H](CCC2)C#C[Si](C)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C31H45NOSi2/c1-25-30(22-21-26-15-14-16-27(32(25)26)23-24-34(5,6)7)33-35(31(2,3)4,28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-13,17-20,25-27,30H,14-16,21-22H2,1-7H3/t25-,26+,27+,30+/m0/s1
SMILES: C[C@@H]1CCC2CC(/C(=C/C=C/C=C/C(C[C@H](C(=O)C([C@@H](/C(=C/C(C(=O)CC(OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)CC4CC[C@H](C(C4)OC)OC(=O)NCCC5=CC6=CC=CC=C6C=C5)C)/C)O)OC)C)C)/C)OC
InChI: InChI=1S/C64H90N2O14/c1-39-18-12-11-13-19-40(2)54(75-8)37-50-27-23-45(7)64(74,80-50)60(70)61(71)66-31-17-16-22-51(66)62(72)78-55(38-52(67)41(3)33-44(6)58(69)59(77-10)57(68)43(5)32-39)42(4)34-47-25-28-53(56(36-47)76-9)79-63(73)65-30-29-46-24-26-48-20-14-15-21-49(48)35-46/h11-15,18-21,24,26,33,35,39,41-43,45,47,50-51,53-56,58-59,69,74H,16-17,22-23,25,27-32,34,36-38H2,1-10H3,(H,65,73)/b13-11+,18-12+,40-19+,44-33+/t39?,41?,42?,43-,45-,47?,50?,51+,53-,54?,55?,56?,58-,59?,64-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OC2=CC=C(C=C2)OC)CO)O)O
InChI: InChI=1S/C15H21NO7/c1-8(18)16-12-14(20)13(19)11(7-17)23-15(12)22-10-5-3-9(21-2)4-6-10/h3-6,11-15,17,19-20H,7H2,1-2H3,(H,16,18)/t11-,12-,13+,14+,15-/m0/s1
SMILES: C1C[C@@]2(CN(C1)C(=O)OCC3=CC=CC=C3)[C@@H](CCC(=O)O2)O
InChI: InChI=1S/C17H21NO5/c19-14-7-8-15(20)23-17(14)9-4-10-18(12-17)16(21)22-11-13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-12H2/t14-,17-/m1/s1
SMILES: CCC[NH+]1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C21H19F2N5/c1-2-6-28-7-5-14-16(9-24)20(27)21(11-25,12-26)19(17(14)10-28)15-4-3-13(22)8-18(15)23/h3-5,8,16-17,19,27H,2,6-7,10H2,1H3/p+1/t16?,17-,19+/m1/s1
SMILES: C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)CO
InChI: InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22+,23+,24-,26+,27-,28+,29-,30-/m1/s1
SMILES: CC1(CCC(=O)[C@@H]2[C@@]13[C@@H]4[C@H]2CC[C@@H]4CO3)C
InChI: InChI=1S/C14H20O2/c1-13(2)6-5-10(15)12-9-4-3-8-7-16-14(12,13)11(8)9/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12-,14+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CC3)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C13H17NO4S/c1-5-9-8(6(2)15)12(16)14(9)10(13(17)18)11(5)19-7-3-4-7/h5-9,15H,3-4H2,1-2H3,(H,17,18)/t5-,6-,8-,9-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O)C[S@@](=O)[C@]34[C@@H]5C[C@H]([C@H]3C(=O)N(C4=O)CCC6=CC(=C(C=C6)OC)OC)C=C5)C
InChI: InChI=1S/C29H37NO6S/c1-27(2)19-9-11-28(27,23(31)15-19)16-37(34)29-20-7-6-18(14-20)24(29)25(32)30(26(29)33)12-10-17-5-8-21(35-3)22(13-17)36-4/h5-8,13,18-20,23-24,31H,9-12,14-16H2,1-4H3/t18-,19-,20+,23-,24+,28-,29-,37-/m1/s1
SMILES: C/C=C/1\C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]2[C@H](C=C1C(=O)OC)OC(O2)(C)C)O
InChI: InChI=1S/C13H18O7/c1-6(14)18-10-7(12(16)17-4)5-8-11(9(10)15)20-13(2,3)19-8/h5,8-11,15H,1-4H3/t8-,9+,10-,11-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2
InChI: InChI=1S/C18H25NO4S/c1-12-5-3-6-14(13(12)2)19-17(21)11-23-18(22)9-8-15(20)16-7-4-10-24-16/h4,7,10,12-14H,3,5-6,8-9,11H2,1-2H3,(H,19,21)/t12-,13+,14+/m1/s1
SMILES: C[C@H]1CCC[C@]([C@]1(C)CC=C)(CCCOCC2=CC=C(C=C2)OC)O
InChI: InChI=1S/C22H34O3/c1-5-13-21(3)18(2)8-6-14-22(21,23)15-7-16-25-17-19-9-11-20(24-4)12-10-19/h5,9-12,18,23H,1,6-8,13-17H2,2-4H3/t18-,21+,22+/m0/s1
SMILES: CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O)O)O)CO)O
InChI: InChI=1S/C14H23NO11/c1-4(17)15-5-2-6(18)7(3-16)24-14(5)26-10-8(19)9(20)13(23)25-11(10)12(21)22/h5-11,13-14,16,18-20,23H,2-3H2,1H3,(H,15,17)(H,21,22)/t5-,6+,7-,8-,9-,10+,11+,13-,14+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C(=O)[O-]
InChI: InChI=1S/C18H19N3O4S/c22-15(21-18-19-9-10-26-18)11-5-7-12(8-6-11)20-16(23)13-3-1-2-4-14(13)17(24)25/h5-10,13-14H,1-4H2,(H,20,23)(H,24,25)(H,19,21,22)/p-1/t13-,14+/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)[C@@]34C[C@H]5CC[C@]3([C@]5(CO4)C)C)C6=CC=CC=C61
InChI: InChI=1S/C25H28N2O2/c1-4-27-20-8-6-5-7-18(20)19-13-17(9-10-21(19)27)26-22(28)25-14-16-11-12-24(25,3)23(16,2)15-29-25/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,26,28)/t16-,23+,24+,25+/m1/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)CN5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F
InChI: InChI=1S/C26H33F3N2O3/c1-16-6-7-21-19(22(32)33-25(21)20(16)8-9-24(2)23(25)34-24)15-30-10-12-31(13-11-30)18-5-3-4-17(14-18)26(27,28)29/h3-5,14,16,19-21,23H,6-13,15H2,1-2H3/t16-,19-,20+,21+,23-,24-,25-/m1/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O17/c28-6-15-19(34)22(37)23(38)26(42-15)44-25-20(35)16(7-29)43-27(24(25)39)41-14-5-13-17(21(36)18(14)33)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23-,24-,25+,26+,27-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@]2(CO[C@H](O[C@H]2C(C)C)C3=CC=CC=C3)NC1=O)O
InChI: InChI=1S/C17H23NO4/c1-10(2)14-17(13(19)11(3)15(20)18-17)9-21-16(22-14)12-7-5-4-6-8-12/h4-8,10-11,13-14,16,19H,9H2,1-3H3,(H,18,20)/t11-,13+,14+,16-,17+/m1/s1
SMILES: CC([C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)OC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI: InChI=1S/C45H51N5O6Si/c1-30(55-45(32-17-13-10-14-18-32,33-19-23-35(52-5)24-20-33)34-21-25-36(53-6)26-22-34)40-37(56-57(7,8)44(2,3)4)27-38(54-40)50-29-48-39-41(46-28-47-42(39)50)49-43(51)31-15-11-9-12-16-31/h9-26,28-30,37-38,40H,27H2,1-8H3,(H,46,47,49,51)/t30?,37-,38+,40+/m0/s1
SMILES: CN1CC[C@@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3[C@]6(C4)C(=O)C7=C8N6CCC9=C8C(=C(C=C9)OC)OC1=C7C=CC(=C1O)OC
InChI: InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21-,34+,35-,36+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@@H]([C@H](C(=O)O2)CC3=CC=CC=C3)[C@@H](O1)N4C=NC5=C(N=CN=C54)N
InChI: InChI=1S/C25H33N5O4Si/c1-25(2,3)35(4,5)32-12-17-20-18(16(24(31)34-20)11-15-9-7-6-8-10-15)23(33-17)30-14-29-19-21(26)27-13-28-22(19)30/h6-10,13-14,16-18,20,23H,11-12H2,1-5H3,(H2,26,27,28)/t16-,17-,18-,20-,23-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(NC(=O)[C@@H]3C[C@@H](CN3C1=O)N4N=C(N=N4)C5=CC=C(C=C5)OCC6CC6)C(=O)O
InChI: InChI=1S/C34H45N7O7/c1-33(2,3)48-32(46)35-26-10-8-6-4-5-7-9-23-18-34(23,31(44)45)36-29(42)27-17-24(19-40(27)30(26)43)41-38-28(37-39-41)22-13-15-25(16-14-22)47-20-21-11-12-21/h7,9,13-16,21,23-24,26-27H,4-6,8,10-12,17-20H2,1-3H3,(H,35,46)(H,36,42)(H,44,45)/b9-7-/t23-,24+,26+,27+,34+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H](COCC3=CC=CC=C3)[C@H]([C@@H]([C@@H](COCC4=CC=CC=C4)N=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)O
InChI: InChI=1S/C54H58N6O9/c55-59-57-46(37-62-31-40-19-7-1-8-20-40)51(65-34-43-25-13-4-14-26-43)52(66-35-44-27-15-5-16-28-44)48(39-64-33-42-23-11-3-12-24-42)69-54-49(58-60-56)53(67-36-45-29-17-6-18-30-45)50(61)47(68-54)38-63-32-41-21-9-2-10-22-41/h1-30,46-54,61H,31-39H2/t46-,47-,48-,49-,50-,51-,52-,53-,54+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C15H16FNO3/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(19)20/h3-6,8-9,12-13H,1-2,7H2,(H,17,18)(H,19,20)/p-1/t8-,9+,12+,13+/m1/s1
SMILES: CC(C)[NH+]1CC=C2[C@@H](C1)[C@@H](C(=N)C(C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C21H20ClN5/c1-13(2)27-8-7-16-15(10-27)19(14-5-3-4-6-18(14)22)20(26)17(9-23)21(16,11-24)12-25/h3-7,13,15,17,19,26H,8,10H2,1-2H3/p+1/t15-,17?,19+/m1/s1
SMILES: C[C@H]1[C@@H](N(N=C1C(C)C)C2=CC=C(C=C2)Br)C(=O)N3CCOC3=O
InChI: InChI=1S/C17H20BrN3O3/c1-10(2)14-11(3)15(16(22)20-8-9-24-17(20)23)21(19-14)13-6-4-12(18)5-7-13/h4-7,10-11,15H,8-9H2,1-3H3/t11-,15-/m1/s1