EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(=O)CC[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O
InChI: InChI=1S/C20H34O5/c1-4-15(21)11-12-17-16(18(22)13-19(17)23)9-7-5-6-8-10-20(24)25-14(2)3/h5,7,14,16-19,22-23H,4,6,8-13H2,1-3H3/b7-5-/t16-,17-,18?,19-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C24H21ClN2O7/c1-13-2-8-17-18(10-13)23(30)26(22(17)29)16-6-3-14(4-7-16)24(31)34-12-21(28)15-5-9-19(25)20(11-15)27(32)33/h3-7,9,11,13,17-18H,2,8,10,12H2,1H3/t13-,17-,18+/m0/s1
SMILES: C[C@@H]([C@@H]1C[C@@H]2CC[C@H]1C2)[NH2+]CC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N
InChI: InChI=1S/C26H37N5O3/c1-16(2)14-30(22(32)13-28-17(3)21-12-19-9-10-20(21)11-19)23-24(27)31(26(34)29-25(23)33)15-18-7-5-4-6-8-18/h4-8,16-17,19-21,28H,9-15,27H2,1-3H3,(H,29,33,34)/p+1/t17-,19+,20-,21-/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8+/m0/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCN(CCCC[C@H](NC1=O)C(=O)NC)C(=O)OC(C)(C)C)C(=O)NO
InChI: InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@@H]3CCC4=C([C@@H]3C2)C=CC=C4OC
InChI: InChI=1S/C21H25NO/c1-15(16-7-4-3-5-8-16)22-13-17-11-12-19-18(20(17)14-22)9-6-10-21(19)23-2/h3-10,15,17,20H,11-14H2,1-2H3/t15-,17-,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N2[C@H]1[C@H]([C@H](C2)O)O
InChI: InChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-6-10(16)14-7-8(15)12(17)11(9)14/h8-9,11-12,15,17H,6-7H2,1-5H3/t8-,9-,11+,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)C[C@@H](/C(=C/CC(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)C)/C)O
InChI: InChI=1S/C48H73NO12/c1-29-13-9-8-10-14-30(2)40(52)27-37-20-17-34(6)48(58,61-37)45(55)46(56)49-22-12-11-15-38(49)47(57)60-43(33(5)24-35-18-21-39(51)44(25-35)59-7)26-36(50)19-16-31(3)41(53)28-42(54)32(4)23-29/h8-10,13-14,16,29,32-35,37-41,43-44,51-53,58H,11-12,15,17-28H2,1-7H3/b10-8+,13-9+,30-14+,31-16+/t29-,32-,33-,34-,35+,37+,38+,39-,40+,41+,43+,44-,48-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC
InChI: InChI=1S/C29H32O13/c1-10-23(38-4)22(34)25(39-5)28(41-10)42-24-18-14(26(35)29(2,36)27(24)40-6)9-13-17(21(18)33)20(32)16-12(19(13)31)7-11(37-3)8-15(16)30/h7-10,22-25,27-28,30,33-34,36H,1-6H3/t10-,22+,23-,24?,25+,27?,28-,29?/m0/s1
SMILES: CC(C)N1CC[C@]23[C@@H]4C5=C(C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5
InChI: InChI=1S/C25H26N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,13,19,23,26,28-29H,9-12H2,1-2H3/t19-,23+,24+,25-/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCCC2=C)C
InChI: InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m0/s1
SMILES: COC(=O)C1=C2[C@@H]3C=CC[C@H]3[C@@H](NC2=C(C=C1)Cl)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C21H18ClNO4/c1-27-21(26)15-9-10-16(22)19-17(15)13-3-2-4-14(13)18(23-19)11-5-7-12(8-6-11)20(24)25/h2-3,5-10,13-14,18,23H,4H2,1H3,(H,24,25)/t13-,14-,18+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)C2=C(C=C(C=C2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)C4=CC=C(C=C4)O)O)C(=O)O
InChI: InChI=1S/C28H32N2O9/c31-17-9-7-15(8-10-17)26(35)30-20-14-29-11-3-6-23(20)39-28(38)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-19(18)27(36)37/h7-10,12-13,18-20,23,29,31-33H,1-6,11,14H2,(H,30,35)(H,36,37)/t18-,19+,20-,23-/m1/s1
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O
InChI: InChI=1S/C33H40O21/c34-7-15-19(39)22(42)25(45)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)30(21(18)41)54-33-27(47)24(44)29(17(9-36)52-33)53-32-26(46)23(43)20(40)16(8-35)51-32/h1-6,15-17,19-20,22-27,29,31-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,22+,23+,24-,25-,26-,27-,29-,31-,32+,33+/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H](C[C@H]6[C@]7([C@]5(C4)OC[C@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)OC(=O)C)O)O
InChI: InChI=1S/C44H63NO13/c1-9-23(3)38(48)58-37-35(47)34-26(20-45-19-22(2)10-13-32(45)41(34,6)50)27-18-43-36(44(27,37)52)30(56-24(4)46)17-31-40(43,5)15-14-33(42(31,51)21-55-43)57-39(49)25-11-12-28(53-7)29(16-25)54-8/h11-12,16,22-23,26-27,30-37,47,50-52H,9-10,13-15,17-21H2,1-8H3/t22-,23?,26-,27-,30+,31-,32-,33-,34+,35+,36+,37-,40-,41+,42-,43+,44-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCOCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C56H82N4O14/c1-3-5-6-7-8-9-10-11-12-16-29-57-54(64)71-44-27-28-49-47(39-44)52-45(21-14-18-32-62)41(20-13-17-31-61)38-46-48(58-74-51-22-15-19-35-69-51)40-50(56(73-49,53(46)52)70-34-4-2)59(30-36-68-37-33-63)55(65)72-43-25-23-42(24-26-43)60(66)67/h4,23-28,38-39,41,45,50-53,61-63H,2-3,5-22,29-37,40H2,1H3,(H,57,64)/t41-,45+,50-,51?,52+,53+,56+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CC(=O)C2=CC=CC3=CC=CC=C32
InChI: InChI=1S/C22H27NO3/c1-22(2,3)26-21(25)23-19-13-7-10-16(19)14-20(24)18-12-6-9-15-8-4-5-11-17(15)18/h4-6,8-9,11-12,16,19H,7,10,13-14H2,1-3H3,(H,23,25)/t16-,19-/m1/s1
SMILES: CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl
InChI: InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14+/m1/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
InChI: InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22-/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C#N
InChI: InChI=1S/C16H12ClN5O4/c1-8-5-25-16(26-8)15(7-19)12(14(15,6-18)13(20)21-16)10-3-2-9(22(23)24)4-11(10)17/h2-4,8,12H,5H2,1H3,(H2,20,21)/p+1/t8-,12+,14+,15+,16+/m0/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/p-1/t15-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=CC=C2Cl
InChI: InChI=1S/C19H24ClNO3/c1-13-7-3-6-10-17(13)21-19(23)14(2)24-18(22)12-11-15-8-4-5-9-16(15)20/h4-5,8-9,11-14,17H,3,6-7,10H2,1-2H3,(H,21,23)/b12-11+/t13-,14-,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC=C(C=C2)OC(F)(F)Cl)O)O)O
InChI: InChI=1S/C13H16ClF2NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9+,10-,11-,12+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](CNC(=O)[C@H]1[C@@H](O1)C(=O)OC)C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C19H23N3O9/c1-10(21-19(28)30-9-11-6-4-3-5-7-11)15(23)22-12(17(25)26)8-20-16(24)13-14(31-13)18(27)29-2/h3-7,10,12-14H,8-9H2,1-2H3,(H,20,24)(H,21,28)(H,22,23)(H,25,26)/t10-,12-,13+,14+/m0/s1
SMILES: CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI: InChI=1S/C19H27FN2O4/c1-2-3-4-5-6-7-8-14-9-13-11-22(19(24)21-18(13)25-14)17-10-15(20)16(12-23)26-17/h9,11,15-17,23H,2-8,10,12H2,1H3/t15-,16+,17+/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)(CC1OC(=O)[C@@H]([C@H](C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C43H53NO16/c1-21-26(57-37(51)31(48)30(25-16-13-17-54-25)44-38(52)60-39(4,5)6)19-43(53)35(58-36(50)24-14-11-10-12-15-24)33-41(9,27(47)18-28-42(33,20-55-28)59-23(3)46)34(49)32(56-22(2)45)29(21)40(43,7)8/h10-17,26-28,30-33,35,47-48,53H,18-20H2,1-9H3,(H,44,52)/t26?,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
SMILES: CCC\1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/[C@H]([C@@H](/C(=C/5\[C@H](C(=O)C6=C5NC(=C6C)/C=C1\N2)C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
InChI: InChI=1S/C55H76N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-59H,1,14-25,27H2,2-12H3/b34-26+,43-29-,44-28-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C17H22N2O2/c1-11(20)18-15-3-2-4-16(10-15)19-17(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9H2,1H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)[C@@H](C)O)C(=O)N(C4=O)CCOC)Cl
InChI: InChI=1S/C19H22ClN3O5/c1-8-6-10(20)7-11-14(8)21-18(27)19(11)13-12(15(22-19)9(2)24)16(25)23(17(13)26)4-5-28-3/h6-7,9,12-13,15,22,24H,4-5H2,1-3H3,(H,21,27)/p+1/t9-,12+,13+,15+,19-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)C3=CSC(=N3)C4=CC=CC=C4
InChI: InChI=1S/C22H23N3O5S/c1-22(2,3)30-21(29)24-16-15-10-9-13(17(20(27)28)25(15)19(16)26)14-11-31-18(23-14)12-7-5-4-6-8-12/h4-8,11,15-16H,9-10H2,1-3H3,(H,24,29)(H,27,28)/t15-,16+/m1/s1
SMILES: C/C(=C\[C@H]1[C@H](C(=O)N1CCC#C)OC)/C(=C)OS(=O)(=O)C
InChI: InChI=1S/C14H19NO5S/c1-6-7-8-15-12(13(19-4)14(15)16)9-10(2)11(3)20-21(5,17)18/h1,9,12-13H,3,7-8H2,2,4-5H3/b10-9+/t12-,13+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H16ClNO2/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(16)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3/t9-,12+,13+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C/3\C(=O)OC(=N3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H17NO4/c1-11-9-15(11)17-8-7-14(23-17)10-16-19(21)24-18(20-16)12-3-5-13(22-2)6-4-12/h3-8,10-11,15H,9H2,1-2H3/b16-10+/t11-,15+/m1/s1
SMILES: C[C@@H]1[C@@H](CO[C@@H](O1)C[C@@H]2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H29N3O4/c1-15-22(28-25(29)16-6-4-3-5-7-16)14-31-23(32-15)13-21-24-18(10-11-26-21)19-12-17(30-2)8-9-20(19)27-24/h3-9,12,15,21-23,26-27H,10-11,13-14H2,1-2H3,(H,28,29)/t15-,21-,22-,23+/m1/s1
SMILES: CC1(O[C@@H]2CO[C@]3(CN(C(=O)O3)C(=O)C(C)(C)C)C(=O)[C@@H]2O1)C
InChI: InChI=1S/C15H21NO7/c1-13(2,3)11(18)16-7-15(23-12(16)19)10(17)9-8(6-20-15)21-14(4,5)22-9/h8-9H,6-7H2,1-5H3/t8-,9-,15+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)[C@H]4[C@@H](C3=O)[C@H](N5[C@@H]4C6=CC=CC=C6C=C5)C(=O)C7=CC=CS7
InChI: InChI=1S/C27H20N2O5S/c30-25(20-6-3-13-35-20)24-22-21(23-17-5-2-1-4-15(17)9-10-28(23)24)26(31)29(27(22)32)16-7-8-18-19(14-16)34-12-11-33-18/h1-10,13-14,21-24H,11-12H2/t21-,22+,23+,24-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C18H22N2O4/c1-12-5-3-4-10-18(12)16(22)20(17(23)19-18)11-13-6-8-14(9-7-13)15(21)24-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,23)/t12-,18+/m0/s1
SMILES: CCCCCCCCCCOC(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O
InChI: InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23?,26?,27-,28-,29-,34-,35-,36-/m1/s1
SMILES: C[C@@H]1C[C@]([C@@H](C[NH+]1C)C)(C2=CC=CC=C2)NC(=O)C
InChI: InChI=1S/C16H24N2O/c1-12-11-18(4)13(2)10-16(12,17-14(3)19)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,17,19)/p+1/t12-,13-,16+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C41H43N3O6/c1-41-34(38(47)44(40(41)49)28-10-6-3-7-11-28)24-33-31(36(41)27-12-14-30(15-13-27)50-23-22-45)16-17-32-35(33)39(48)43(37(32)46)29-18-20-42(21-19-29)25-26-8-4-2-5-9-26/h2-16,29,32-36,45H,17-25H2,1H3/t32-,33+,34-,35-,36-,41+/m0/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N3[C@H]4CCN([C@@H]4[C@@H](C3=O)C)C(=O)[C@@H]5CCCN5C(=O)NC6=CC=C(C=C6)C(C)C
InChI: InChI=1S/C32H37N5O5S/c1-5-42-30(40)21-10-13-23-26(17-21)43-32(34-23)37-24-14-16-36(27(24)19(4)28(37)38)29(39)25-7-6-15-35(25)31(41)33-22-11-8-20(9-12-22)18(2)3/h8-13,17-19,24-25,27H,5-7,14-16H2,1-4H3,(H,33,41)/t19-,24-,25-,27+/m0/s1
SMILES: C/C/1=C/[C@H](C(=O)C(=C)[C@H]2CC([C@H]2[C@@H]([C@@H]1O)O)(C)C)OC(=O)C
InChI: InChI=1S/C17H24O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-14,16,19,21H,2,7H2,1,3-5H3/b8-6-/t11-,12-,13-,14-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=[14CH]4)C(=O)OC)C
InChI: InChI=1S/C26H39NO3/c1-24(2,3)27-22(28)21-10-9-19-18-8-7-17-15-16(23(29)30-6)11-13-25(17,4)20(18)12-14-26(19,21)5/h7,15,18-21H,8-14H2,1-6H3,(H,27,28)/t18-,19-,20-,21+,25-,26-/m0/s1/i15+2
SMILES: C=CC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C30H28O8/c1-2-12-23-25(31)27(38-30(34)22-17-10-5-11-18-22)26(37-29(33)21-15-8-4-9-16-21)24(36-23)19-35-28(32)20-13-6-3-7-14-20/h2-11,13-18,23-27,31H,1,12,19H2/t23-,24-,25+,26-,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C
InChI: InChI=1S/C23H36N4O2/c1-17-8-6-10-21(19(17)3)25-23(29)16-27-13-11-26(12-14-27)15-22(28)24-20-9-5-4-7-18(20)2/h6,8,10,18,20H,4-5,7,9,11-16H2,1-3H3,(H,24,28)(H,25,29)/p+2/t18-,20-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1C#C/C=C/[C@@H]([C@H](C#CC#C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O
InChI: InChI=1S/C39H70O4Si3/c1-27(2)44(28(3)4,29(5)6)41-37-24-21-22-26-39(43-46(33(13)14,34(15)16)35(17)18)38(25-20-19-23-36(37)40)42-45(30(7)8,31(9)10)32(11)12/h19,23,27-40H,1-18H3/b23-19+/t36-,37-,38-,39-/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)C
InChI: InChI=1S/C21H31N3O4S/c1-15-7-8-19(11-16(15)2)29(27,28)23-12-20(25)22-13-21(26)24-10-9-17-5-3-4-6-18(17)14-24/h7-8,11,17-18,23H,3-6,9-10,12-14H2,1-2H3,(H,22,25)/t17-,18-/m0/s1
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23-,25+,26-/m1/s1
SMILES: C[C@@H]1C([C@H](C2(C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7+,8?,9?,10+,11-,12+,13+,15-,16-,17?/m0/s1
SMILES: C1CN2[C@@H](COC2=O)[C@]3([C@]1(CC(=O)C=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C17H17NO4/c19-13-6-7-17(21)14-11-22-15(20)18(14)9-8-16(17,10-13)12-4-2-1-3-5-12/h1-7,14,21H,8-11H2/t14-,16+,17+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(C)O)C
InChI: InChI=1S/C20H32O2/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/h13,15-17,22H,4-12H2,1-3H3/t13-,15-,16+,17-,18+,19-,20+/m1/s1
SMILES: CCCCCN1C2=CC=CC=C2C3=C(C4=C(C=C31)OC([C@H]5[C@H]4C=C(CC5)C)(C)C)O
InChI: InChI=1S/C27H33NO2/c1-5-6-9-14-28-21-11-8-7-10-18(21)24-22(28)16-23-25(26(24)29)19-15-17(2)12-13-20(19)27(3,4)30-23/h7-8,10-11,15-16,19-20,29H,5-6,9,12-14H2,1-4H3/t19-,20-/m1/s1
SMILES: C=C[C@H]1C[N+]2(CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O)[O-]
InChI: InChI=1S/C19H22N2O2/c1-2-13-12-21(23)10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-,21?/m0/s1
SMILES: CCC/C=C(\C)/C1=CC[C@H]2[C@@H]1C=C[C@@H](C2)OC(=O)C
InChI: InChI=1S/C17H24O2/c1-4-5-6-12(2)16-9-7-14-11-15(19-13(3)18)8-10-17(14)16/h6,8-10,14-15,17H,4-5,7,11H2,1-3H3/b12-6+/t14-,15+,17+/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=C(C=C3)F)(C)C(=O)OC
InChI: InChI=1S/C17H19FN2O4/c1-4-20-14(21)11-12(15(20)22)17(2,16(23)24-3)19-13(11)9-5-7-10(18)8-6-9/h5-8,11-13,19H,4H2,1-3H3/t11-,12-,13-,17+/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)[C@@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4
InChI: InChI=1S/C19H20N2O/c1-11-6-7-14-15(10-11)18-17-13(8-9-21(18)19(14)22)12-4-2-3-5-16(12)20-17/h2-6,14-15,18,20H,7-10H2,1H3/t14-,15+,18+/m0/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)OC)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C18H22N2O5/c1-5-18(17(23)25-4)13-12(15(21)20(2)16(13)22)14(19-18)10-6-8-11(24-3)9-7-10/h6-9,12-14,19H,5H2,1-4H3/t12-,13-,14-,18-/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)NC4=C(C=C(C=C4)C)C)C=C3)C
InChI: InChI=1S/C25H28N2O2/c1-14-5-9-20(16(3)11-14)26-24(28)22-18-7-8-19(13-18)23(22)25(29)27-21-10-6-15(2)12-17(21)4/h5-12,18-19,22-23H,13H2,1-4H3,(H,26,28)(H,27,29)/t18-,19+,22-,23-/m0/s1
SMILES: C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C23H30N2O3/c1-15(2)14-17-8-10-18(11-9-17)16(3)24-21(26)12-13-25-22(27)19-6-4-5-7-20(19)23(25)28/h4-5,8-11,15-16,19-20H,6-7,12-14H2,1-3H3,(H,24,26)/t16-,19-,20+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)C[C@@H]4[C@@]3(CCC5C4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1
InChI: InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,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+,39-/m1/s1
SMILES: C[C@@H]1/C=C/[C@@H]([C@@H]([C@@H]2C[C@H]([C@@H](O2)[C@H](C[C@@H](C)/C=C(\C)/[C@@H]([C@@H](C)[C@H]([C@H](C)C[C@@H]([C@H](CO)O)Cl)O)O)O)OC(=O)[C@H]([C@@H](C(=O)[C@H]1C)O)C)O)O
InChI: InChI=1S/C34H57ClO12/c1-15(10-17(3)28(40)20(6)29(41)18(4)12-22(35)25(39)14-36)11-24(38)33-27-13-26(46-33)32(44)23(37)9-8-16(2)19(5)30(42)31(43)21(7)34(45)47-27/h8-10,15-16,18-29,31-33,36-41,43-44H,11-14H2,1-7H3/b9-8+,17-10+/t15-,16+,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,31-,32-,33-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=CC=C5C=CC(=O)O[C@H]6C(=O)OCC6(C)C)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C41H57N3O12/c1-5-7-11-18-40(19-12-8-6-2)54-31-28-23-41(38(50)43-20-17-29(46)42-21-22-45)33(36(48)52-28)44(56-34(41)32(31)55-40)24-27-14-10-9-13-26(27)15-16-30(47)53-35-37(49)51-25-39(35,3)4/h9-10,13-16,28,31-35,45H,5-8,11-12,17-25H2,1-4H3,(H,42,46)(H,43,50)/t28-,31+,32+,33+,34-,35+,41+/m1/s1
SMILES: C[C@H](C1CCCCC1)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=C(C=C4)OC)Br
InChI: InChI=1S/C26H30BrNO6/c1-15(16-7-5-4-6-8-16)28-26(30)34-25-23(29)19-14-18(31-2)10-12-21(19)33-24(25)17-9-11-22(32-3)20(27)13-17/h9-16,24-25H,4-8H2,1-3H3,(H,28,30)/t15-,24+,25-/m1/s1
SMILES: CC[C@]1([C@@H](CCN(C1=O)CCC2=CNC3=CC=CC=C32)O)C[C@H](C(=O)OC)OC(=O)C
InChI: InChI=1S/C23H30N2O6/c1-4-23(13-19(21(28)30-3)31-15(2)26)20(27)10-12-25(22(23)29)11-9-16-14-24-18-8-6-5-7-17(16)18/h5-8,14,19-20,24,27H,4,9-13H2,1-3H3/t19-,20-,23-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=CC=C4)I
InChI: InChI=1S/C22H16IN3O/c1-14(27)20-19(16-6-4-7-17(23)11-16)22(12-24,13-25)21-18-8-3-2-5-15(18)9-10-26(20)21/h2-11,19-21H,1H3/t19-,20-,21-/m0/s1
SMILES: C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)O)C)O)C)C
InChI: InChI=1S/C39H65NO10/c1-22(11-14-28(42)35(4,5)47)23-15-16-38(8)24-12-13-27-34(2,3)33(26(41)18-37(27,7)25(24)17-29(43)39(23,38)9)50-31(45)20-36(6,48)19-30(44)40-21-32(46)49-10/h22-23,26-29,33,41-43,47-48H,11-21H2,1-10H3,(H,40,44)/t22-,23-,26-,27?,28?,29+,33+,36?,37-,38+,39+/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O)[N+](=O)[O-].Cl
InChI: InChI=1S/C25H28N2O5.ClH/c1-32-24-8-6-17(13-22(24)27(30)31)23(29)15-26-11-10-25-9-3-2-4-19(25)21(26)12-16-5-7-18(28)14-20(16)25;/h5-8,13-14,19,21,28H,2-4,9-12,15H2,1H3;1H/t19-,21-,25+;/m0./s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C(=CC(=C4)C)Cl)NC3=O)[NH2+][C@@H]2[C@@H](C)O
InChI: InChI=1S/C20H24ClN3O4/c1-5-9(3)24-17(26)13-14(18(24)27)20(23-15(13)10(4)25)11-6-8(2)7-12(21)16(11)22-19(20)28/h6-7,9-10,13-15,23,25H,5H2,1-4H3,(H,22,28)/p+1/t9-,10-,13+,14+,15-,20+/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H]2CCN3[C@H]1[C@]4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC)O
InChI: InChI=1S/C20H24N2O3/c1-11(23)15-12-7-9-22-10-8-20(18(15)22)13-5-3-4-6-14(13)21-17(20)16(12)19(24)25-2/h3-6,11-12,15,18,21,23H,7-10H2,1-2H3/t11-,12-,15-,18+,20+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)NC)O)C)C)C)O)(C)O
InChI: InChI=1S/C36H65NO11/c1-13-25-36(10,41)30(39)21(5)28-18(2)15-35(9,48-28)31(47-33-27(38)24(37-11)14-19(3)44-33)22(6)29(23(7)32(40)45-25)46-26-17-34(8,42-12)16-20(4)43-26/h18-31,33,37-39,41H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30-,31-,33+,34+,35-,36-/m1/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CC(C)(C)NC(=O)C)C(=O)C3=CC(=C(C=C3)OC)OCCCOC
InChI: InChI=1S/C31H50N4O6/c1-21(2)34(30(38)23-9-12-27(40-7)28(15-23)41-14-8-13-39-6)19-24-17-32-18-25(24)20-35(26-10-11-26)29(37)16-31(4,5)33-22(3)36/h9,12,15,21,24-26,32H,8,10-11,13-14,16-20H2,1-7H3,(H,33,36)/t24-,25-/m0/s1
SMILES: CCOC(=O)[C@@H]1CC(=C[C@@H](O1)OC)[S@](=O)C[C@@]23CC[C@@H](C2(C)C)C[C@H]3O
InChI: InChI=1S/C19H30O6S/c1-5-24-17(21)14-9-13(10-16(23-4)25-14)26(22)11-19-7-6-12(8-15(19)20)18(19,2)3/h10,12,14-16,20H,5-9,11H2,1-4H3/t12-,14+,15-,16-,19-,26-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H23NO5S/c1-12-8-9-13(2)16(10-12)17-11-29-20(18(17)22(27)28-3)23-19(24)14-6-4-5-7-15(14)21(25)26/h4-5,8-11,14-15H,6-7H2,1-3H3,(H,23,24)(H,25,26)/p-1/t14-,15+/m1/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)[C@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)O[C@@H]5C4
InChI: InChI=1S/C22H26N2O4/c25-20(18-14-11-16-17(12-14)28-22(27)19(16)18)23-15-7-5-13(6-8-15)21(26)24-9-3-1-2-4-10-24/h5-8,14,16-19H,1-4,9-12H2,(H,23,25)/t14-,16+,17-,18+,19+/m1/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1C(CC3=NNN=N3)C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C19H25N5O2/c25-19(26)17-9-15-8-13(6-7-14(15)11-20-17)16(10-18-21-23-24-22-18)12-4-2-1-3-5-12/h1-5,13-17,20H,6-11H2,(H,25,26)(H,21,22,23,24)/t13-,14-,15+,16?,17-/m0/s1
SMILES: CC[C@@H]([C@@H]1[C@H](C(=O)OC2=C1C=C(C=C2Br)Br)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H17Br2ClO5/c1-3-13(18(25)10-4-6-12(24)7-5-10)16-14-8-11(22)9-15(23)19(14)29-21(27)17(16)20(26)28-2/h4-9,13,16-17H,3H2,1-2H3/t13-,16-,17-/m0/s1
SMILES: CCOC(=O)OC1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCF
InChI: InChI=1S/C24H31FO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24?/m0/s1
SMILES: CCCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3CC[C@H]([C@H]3O)O)NC4CC4C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H27ClN6O2S/c1-2-3-10-32-22-25-20(24-15-11-14(15)12-4-6-13(23)7-5-12)18-21(26-22)29(28-27-18)16-8-9-17(30)19(16)31/h4-7,14-17,19,30-31H,2-3,8-11H2,1H3,(H,24,25,26)/t14?,15?,16-,17-,19+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H15BrN2O2/c19-11-8-9-16-15(10-11)12-5-3-6-13(12)18(20-16)14-4-1-2-7-17(14)21(22)23/h1-5,7-10,12-13,18,20H,6H2/t12-,13+,18+/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=CC34C)O)C)O
InChI: InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16?,17?,18-,20?,21?,22-,23-/m0/s1
SMILES: CCCCCNC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)CCCC=C)OC(O2)(C)C
InChI: InChI=1S/C19H32N2O4/c1-5-7-9-11-15(22)21-13-14-17(25-19(3,4)24-14)16(21)18(23)20-12-10-8-6-2/h5,14,16-17H,1,6-13H2,2-4H3,(H,20,23)/t14-,16-,17-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=CC=C7)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C48H39ClFN3O7/c1-59-36-20-23-41(60-2)28(25-36)9-6-27-7-18-34(19-8-27)52-44(55)38-22-21-37-39(42(38)46(52)57)26-40-45(56)53(51-33-16-14-32(50)15-17-33)47(58)48(40,30-10-12-31(49)13-11-30)43(37)29-4-3-5-35(54)24-29/h3-21,23-25,38-40,42-43,51,54H,22,26H2,1-2H3/t38-,39+,40-,42-,43-,48+/m0/s1