EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H](COCC1=CC=CC=C1)[C@H]2C[C@](OC(O2)(C)C)(CCC[C@@H](C[C@@]3(C[C@@H]([C@@H]4[C@@H](O3)CC(OC4O)CP(=O)(OCC)OCC)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C)C#N
InChI: InChI=1S/C49H88NO12PSi2/c1-17-37(33-54-32-36-24-21-20-22-25-36)41-30-48(35-50,62-47(10,11)58-41)27-23-26-38(60-64(13,14)45(4,5)6)29-49(53-12)31-42(61-65(15,16)46(7,8)9)43-40(59-49)28-39(57-44(43)51)34-63(52,55-18-2)56-19-3/h20-22,24-25,37-44,51H,17-19,23,26-34H2,1-16H3/t37-,38+,39?,40+,41-,42+,43+,44?,48-,49-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CNC3=C2C=C4C(=CC(=O)NC4=C3)C(F)(F)F
InChI: InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10-/m0/s1
SMILES: CO[C@H]1[C@@H](C[C@@H]2C[N+]3=C(C[C@@H]2[C@@H]1C(=O)[O-])C4=C(CC3)C5=C(N4)C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C32H36N2O9/c1-38-18-6-7-19-20-8-9-34-15-17-12-26(43-32(37)16-10-24(39-2)29(41-4)25(11-16)40-3)30(42-5)27(31(35)36)21(17)14-23(34)28(20)33-22(19)13-18/h6-7,10-11,13,17,21,26-27,30H,8-9,12,14-15H2,1-5H3,(H,35,36)/t17-,21+,26-,27+,30+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)[C@H]5CC[C@@]34C5
InChI: InChI=1S/C20H26O2/c1-19-8-7-16-14(15(19)4-5-18(19)22)3-2-13-10-17(21)12-6-9-20(13,16)11-12/h10,12,14-16H,2-9,11H2,1H3/t12-,14-,15-,16-,19-,20-/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)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C44H37N3O7/c1-52-32-19-14-27(15-20-32)12-13-28-16-23-35-34(26-28)44(43(51)46-35)36(41(45)49)38-42(50)54-39(30-10-6-3-7-11-30)37(29-8-4-2-5-9-29)47(38)40(44)31-17-21-33(22-18-31)53-25-24-48/h2-11,14-23,26,36-40,48H,24-25H2,1H3,(H2,45,49)(H,46,51)/t36-,37-,38-,39+,40+,44-/m0/s1
SMILES: CCOC(=O)C[C@H]1CCC[C@@H]1N(C2CCCCC2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H31NO3/c1-2-26-21(24)16-18-12-9-15-20(18)23(19-13-7-4-8-14-19)22(25)17-10-5-3-6-11-17/h3,5-6,10-11,18-20H,2,4,7-9,12-16H2,1H3/t18-,20+/m1/s1
SMILES: C1[C@@H]([C@@H]1C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H28N2O/c32-29(28-19-27(28)25-15-8-3-9-16-25)31(21-24-13-6-2-7-14-24)22-26-17-10-18-30(26)20-23-11-4-1-5-12-23/h1-18,27-28H,19-22H2/t27-,28-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@]2([C@@](CCC(O2)O)(C(=O)O1)O)OCC)O
InChI: InChI=1S/C27H48O9/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29)33-20-21(28)24-27(34-4-2)26(32,25(31)35-24)19-18-23(30)36-27/h21,23-24,28,30,32H,3-20H2,1-2H3/t21-,23?,24-,26-,27-/m1/s1
SMILES: C[C@H]\1[C@@H](C(=O)N/C1=C\C2=C(C(=C(N2)C(=O)OC(C)(C)C)CCC(=O)OC)C)CC[Se]C3=CC=C(C=C3)Cl
InChI: InChI=1S/C28H35ClN2O5Se/c1-16-20(11-12-24(32)35-6)25(27(34)36-28(3,4)5)30-22(16)15-23-17(2)21(26(33)31-23)13-14-37-19-9-7-18(29)8-10-19/h7-10,15,17,21,30H,11-14H2,1-6H3,(H,31,33)/b23-15-/t17-,21-/m0/s1
SMILES: CC1=CC[C@H]([C@@H]([C@H]1OCOC)CC(C#CCCOCC2=CC=CC=C2)O)C(=C)C
InChI: InChI=1S/C25H34O4/c1-19(2)23-14-13-20(3)25(29-18-27-4)24(23)16-22(26)12-8-9-15-28-17-21-10-6-5-7-11-21/h5-7,10-11,13,22-26H,1,9,14-18H2,2-4H3/t22?,23-,24-,25-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCCCNC(=O)C=C)CO)O)O
InChI: InChI=1S/C32H50N4O9/c1-3-26(39)33-17-12-7-10-16-27(40)36-24(20-23-14-8-6-9-15-23)31(43)34-18-11-4-5-13-19-44-32-28(35-22(2)38)30(42)29(41)25(21-37)45-32/h3,6,8-9,14-15,24-25,28-30,32,37,41-42H,1,4-5,7,10-13,16-21H2,2H3,(H,33,39)(H,34,43)(H,35,38)(H,36,40)/t24-,25+,28+,29+,30+,32+/m0/s1
SMILES: C1[C@@H]([C@@H]1NC2=CC(=NC3=NC=NN23)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C20H17N5/c1-3-7-14(8-4-1)16-11-18(16)23-19-12-17(15-9-5-2-6-10-15)24-20-21-13-22-25(19)20/h1-10,12-13,16,18,23H,11H2/t16-,18-/m1/s1
SMILES: CN([C@H](CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC=C4C=CC5CCC6C(C5)O6)OC7(O3)CC8=CC=CC=C8C7
InChI: InChI=1S/C43H46N2O8/c1-45(34(40(47)44-19-20-46)21-27-9-3-2-4-10-27)41(48)32-23-37(39-38(24-32)52-43(53-39)25-30-12-5-6-13-31(30)26-43)51-42(49)33-14-8-7-11-29(33)17-15-28-16-18-35-36(22-28)50-35/h2-15,17,24,28,34-39,46H,16,18-23,25-26H2,1H3,(H,44,47)/t28?,34-,35?,36?,37-,38-,39+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([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](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)N)C)O)OC(=O)C
InChI: InChI=1S/C47H54N2O13/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)49-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(48)22-33-46(38,24-58-33)62-27(3)51)39(53)37(59-26(2)50)34(25)44(47,4)5/h7-21,31-33,35-40,52-53,57H,22-24,48H2,1-6H3,(H,49,54)/t31-,32-,33+,35-,36+,37+,38-,39-,40-,45+,46-,47+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=CC=C7Cl
InChI: InChI=1S/C29H29ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-17-5-6-17)23(29)15-19-7-9-21(33)26(36-27)25(19)28/h1-4,7-10,17,23,27,33H,5-6,11-16H2,(H,31,35)/b10-8+/t23-,27+,28+,29-/m1/s1
SMILES: CC1=C(C=CO1)C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C14H18N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h6-7,10-11H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t10-,11-/m1/s1
SMILES: C[C@]12CC(C(=O)C([C@@H]1CC[C@@]3(C2=CC(=O)C(C3)C#N)COC)(C)C)C#N
InChI: InChI=1S/C21H26N2O3/c1-19(2)16-5-6-21(12-26-4)9-13(10-22)15(24)7-17(21)20(16,3)8-14(11-23)18(19)25/h7,13-14,16H,5-6,8-9,12H2,1-4H3/t13?,14?,16-,20-,21-/m0/s1
SMILES: CC1=C2[C@@H]([C@@]3(C(=NC(=O)[C@@]3(CC2=NN1C4=CC=CC=C4)C#N)N)C#N)C5=CC=CC=C5
InChI: InChI=1S/C24H18N6O/c1-15-19-18(29-30(15)17-10-6-3-7-11-17)12-23(13-25)22(31)28-21(27)24(23,14-26)20(19)16-8-4-2-5-9-16/h2-11,20H,12H2,1H3,(H2,27,28,31)/t20-,23+,24+/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)C)OC(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)OC(=O)C)O)C)C
InChI: InChI=1S/C36H52O5/c1-22(2)32(41-34(39)25-10-8-7-9-11-25)17-12-23(3)29-15-16-30-28-14-13-26-20-27(40-24(4)37)21-33(38)36(26,6)31(28)18-19-35(29,30)5/h7-11,13,22-23,27-33,38H,12,14-21H2,1-6H3/t23-,27-,28+,29-,30+,31+,32+,33+,35-,36+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)COC2=CC(=CC=C2)F
InChI: InChI=1S/C18H24FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h4,6-7,9,12-13,16H,3,5,8,10-11H2,1-2H3,(H,20,21)/t12-,13+,16+/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)N
InChI: InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,19?/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)N3CCN(CC3)C4=NC=CC=N4
InChI: InChI=1S/C17H24N4O/c22-16(12-15-11-13-2-3-14(15)10-13)20-6-8-21(9-7-20)17-18-4-1-5-19-17/h1,4-5,13-15H,2-3,6-12H2/t13-,14-,15+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC5=C(C=C4)OCCO5)C
InChI: InChI=1S/C20H25NO8/c1-19(2)26-13-14(27-19)16-18(29-20(3,4)28-16)25-15(13)17(22)21-10-5-6-11-12(9-10)24-8-7-23-11/h5-6,9,13-16,18H,7-8H2,1-4H3,(H,21,22)/t13-,14-,15-,16-,18+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=COC4=CC=CC=C4C3=O)CCOCCOCCO
InChI: InChI=1S/C33H47NO12/c1-2-44-33-25(7-11-38-15-18-41-14-10-35)27(28-24-45-29-6-4-3-5-26(29)31(28)36)23-30(46-33)32(37)34-8-12-39-16-19-42-21-22-43-20-17-40-13-9-34/h3-6,23-25,27,33,35H,2,7-22H2,1H3/t25-,27-,33+/m1/s1
SMILES: CN(C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CCC6=CC=CC=C6)O)C7=CC=C(C=C7)OC
InChI: InChI=1S/C32H36N2O4/c1-33(23-9-11-24(37-2)12-10-23)25-14-16-32(36)27-20-22-8-13-26(35)29-28(22)31(32,30(25)38-29)17-19-34(27)18-15-21-6-4-3-5-7-21/h3-13,25,27,30,35-36H,14-20H2,1-2H3/t25?,27-,30+,31+,32-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C18H19Cl2N3O4/c1-10-5-2-3-8-13(10)23-17(26)16(25)22(18(23)27)9-14(24)21-12-7-4-6-11(19)15(12)20/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,21,24)/t10-,13-/m1/s1
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C19H18N2O5/c1-26-19(25)12-4-2-3-5-13(12)20-14(22)9-21-17(23)15-10-6-7-11(8-10)16(15)18(21)24/h2-7,10-11,15-16H,8-9H2,1H3,(H,20,22)/t10-,11+,15-,16+
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)[C@](N[C@H]3C4=CC=CO4)(C)C(=O)OC
InChI: InChI=1S/C20H20N2O5/c1-11-6-8-12(9-7-11)22-17(23)14-15(18(22)24)20(2,19(25)26-3)21-16(14)13-5-4-10-27-13/h4-10,14-16,21H,1-3H3/t14-,15+,16+,20-/m1/s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H]([C@@H]3[C@H](C4=C(C=C(C=C4O)O)[C@@H]5[C@H](OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O
InChI: InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40+,42-/m1/s1
SMILES: CC1=NN(C(=O)[C@@]12[C@H](O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C17H13ClN2O2/c1-11-17(15(22-17)12-7-9-13(18)10-8-12)16(21)20(19-11)14-5-3-2-4-6-14/h2-10,15H,1H3/t15-,17+/m1/s1
SMILES: CC(=O)O[C@]12C=C[C@]3([C@@]1(CC[C@H]4[C@@H]3CCC5=C4C=CC(=C5)OC)C)C[C@H]2C=O
InChI: InChI=1S/C24H28O4/c1-15(26)28-24-11-10-23(13-17(24)14-25)21-7-4-16-12-18(27-3)5-6-19(16)20(21)8-9-22(23,24)2/h5-6,10-12,14,17,20-21H,4,7-9,13H2,1-3H3/t17-,20+,21-,22-,23-,24-/m0/s1
SMILES: CCCCC[C@H]1C[C@@]2([C@H](CCC2[C@]3(C1C4=C(CC3)C=C(C=C4)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C28H40O4/c1-6-7-8-9-21-17-28(5)24(12-13-25(28)32-19(3)30)27(4)15-14-20-16-22(31-18(2)29)10-11-23(20)26(21)27/h10-11,16,21,24-26H,6-9,12-15,17H2,1-5H3/t21-,24?,25-,26?,27-,28-/m0/s1
SMILES: C1=CC(=CC=C1NC(=O)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2)F
InChI: InChI=1S/C18H13ClFN5O3/c19-10-1-7-13(8-2-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-12-5-3-11(20)4-6-12/h1-8,15-16H,9H2,(H,21,26)/t15-,16+/m1/s1
SMILES: C[C@]1([C@H](CCC[C@H]1OCOC)C(C(=O)OC)C(=O)OC)C[C@@H](CBr)O[Si](C)(C)C
InChI: InChI=1S/C20H37BrO7Si/c1-20(11-14(12-21)28-29(5,6)7)15(9-8-10-16(20)27-13-24-2)17(18(22)25-3)19(23)26-4/h14-17H,8-13H2,1-7H3/t14-,15+,16+,20+/m0/s1
SMILES: CCOC1([C@@]2([C@]([C@@]2(C(=N1)N)C#N)(C)C3=CC(=C(C=C3)OC)OC)C#N)OCC
InChI: InChI=1S/C20H24N4O4/c1-6-27-20(28-7-2)19(12-22)17(3,18(19,11-21)16(23)24-20)13-8-9-14(25-4)15(10-13)26-5/h8-10H,6-7H2,1-5H3,(H2,23,24)/t17-,18+,19-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)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/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES: C[C@@H]1[C@H](CC(=CC1=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H18O2/c1-14-18(20(22)16-10-6-3-7-11-16)12-17(13-19(14)21)15-8-4-2-5-9-15/h2-11,13-14,18H,12H2,1H3/t14-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H25N3O5/c1-29-17-8-6-16(7-9-17)24-20(27)19(26)23(21(24)28)13-18(25)22-11-10-14-4-2-3-5-15(14)12-22/h6-9,14-15H,2-5,10-13H2,1H3/t14-,15-/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C=C(Cl)Cl)C
InChI: InChI=1S/C20H24Cl2N2O3/c1-20(2)14(10-17(21)22)18(20)19(25)24-7-5-23(6-8-24)11-13-3-4-15-16(9-13)27-12-26-15/h3-4,9-10,14,18H,5-8,11-12H2,1-2H3/p+1/t14-,18-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4O)C)O
InChI: InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17?,18-,19-/m0/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H19NO4/c1-2-23-13-9-7-12(8-10-13)16(20)11-19-17(21)14-5-3-4-6-15(14)18(19)22/h3-4,7-10,14-15H,2,5-6,11H2,1H3/t14-,15-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CCCC[C@@H]3C4=NC5=CC=CC=C5S4
InChI: InChI=1S/C21H25N3O2S/c25-20-14-7-1-2-8-15(14)21(26)24(20)13-23-12-6-5-10-17(23)19-22-16-9-3-4-11-18(16)27-19/h3-4,9,11,14-15,17H,1-2,5-8,10,12-13H2/p+1/t14-,15+,17-/m1/s1
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O6/c1-13(19(25)22-11-14-7-9-15(28-2)10-8-14)29-18(24)12-23-20(26)16-5-3-4-6-17(16)21(23)27/h7-10,13,16-17H,3-6,11-12H2,1-2H3,(H,22,25)/t13-,16-,17+/m0/s1
SMILES: C[C@H]1C[C@@H](CC2=CC(=O)C(C[C@]12C)C(C)(C(=O)OC)O)C(=C)C
InChI: InChI=1S/C19H28O4/c1-11(2)13-7-12(3)18(4)10-15(16(20)9-14(18)8-13)19(5,22)17(21)23-6/h9,12-13,15,22H,1,7-8,10H2,2-6H3/t12-,13-,15?,18+,19?/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@@H]2CC(=O)O[C@H]2C(C)(C)C
InChI: InChI=1S/C15H20O3S/c1-10-5-7-11(8-6-10)19(17)12-9-13(16)18-14(12)15(2,3)4/h5-8,12,14H,9H2,1-4H3/t12-,14-,19+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CCC2=CC=CS2)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC=CC=C6)O)C)C)O)C(C)C
InChI: InChI=1S/C46H61NO5S/c1-31(2)38-19-16-33(4)27-42(38)52-44(50)47(25-22-37-14-10-26-53-37)30-46(51)24-21-41-39-20-17-34(29-40(39)43(49)35-12-7-6-8-13-35)28-36(48)18-15-32(3)11-9-23-45(41,46)5/h6-8,10-14,17,20,26,29,31,33,36,38,41-42,48,51H,9,15-16,18-19,21-25,27-28,30H2,1-5H3/t33-,36-,38+,41-,42-,45-,46+/m0/s1
SMILES: CCOC1=CC(=C(C=C1)[C@@H]2[C@H]([C@@H]3C4=CC=CC=C4C=CN3[C@@H]2C(=O)C5=CC=CC=C5)C(=C(C#N)C#N)C6CC6)OCC
InChI: InChI=1S/C36H33N3O3/c1-3-41-27-16-17-29(30(20-27)42-4-2)32-33(31(24-14-15-24)26(21-37)22-38)34-28-13-9-8-10-23(28)18-19-39(34)35(32)36(40)25-11-6-5-7-12-25/h5-13,16-20,24,32-35H,3-4,14-15H2,1-2H3/t32-,33-,34+,35+/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)OCC=C)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C31H37N5O5/c1-3-18-39-31(38)34-26-7-4-6-25(19-26)29-40-27(22(2)28(41-29)24-10-8-23(21-37)9-11-24)20-35-14-16-36(17-15-35)30-32-12-5-13-33-30/h3-13,19,22,27-29,37H,1,14-18,20-21H2,2H3,(H,34,38)/t22-,27+,28+,29+/m0/s1
SMILES: C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6O)OC(C=CO7)(C)C)NC5=O)N(C3=O)C
InChI: InChI=1S/C28H35N3O5/c1-15-7-9-31-14-26-13-27(25(4,5)18(26)12-28(15,31)23(34)30(26)6)19-16(32)11-17-21(20(19)29-22(27)33)35-10-8-24(2,3)36-17/h8,10-11,15,18,32H,7,9,12-14H2,1-6H3,(H,29,33)/t15-,18-,26+,27+,28+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CCCC[C@H]3[N+]4=CC=CC=C4C2C5=CC=CC=N5.[Cl-]
InChI: InChI=1S/C24H26N3O2S.ClH/c1-18-12-14-19(15-13-18)30(28,29)27-22-10-3-2-9-21(22)26-17-7-5-11-23(26)24(27)20-8-4-6-16-25-20;/h4-8,11-17,21-22,24H,2-3,9-10H2,1H3;1H/q+1;/p-1/t21-,22+,24?;/m1./s1
SMILES: CC(C)[C@H](C(=O)N(C)C1CCN(CC1)C)NC(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)[C@]4([C@H](O4)CC=C(C)C)C
InChI: InChI=1S/C29H49N3O6/c1-18(2)9-10-22-28(5,38-22)25-24(35-8)21(11-14-29(25)17-36-29)37-27(34)30-23(19(3)4)26(33)32(7)20-12-15-31(6)16-13-20/h9,19-25H,10-17H2,1-8H3,(H,30,34)/t21-,22-,23-,24-,25-,28-,29+/m1/s1
SMILES: CC(=C)C1=CC([C@H]2[C@H]1C=C[C@H](CC2)OC3=C(C(=C(C(=C3F)F)F)F)F)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C23H21F5O5/c1-10(2)13-9-23(21(29)31-3,22(30)32-4)14-8-6-11(5-7-12(13)14)33-20-18(27)16(25)15(24)17(26)19(20)28/h5,7,9,11-12,14H,1,6,8H2,2-4H3/t11-,12+,14-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CC=C8
InChI: InChI=1S/C39H31ClFN3O5/c40-24-12-10-23(11-13-24)39-31(36(47)44(38(39)49)42-26-16-14-25(41)15-17-26)20-30-27(34(39)28-8-4-5-9-32(28)45)18-19-29-33(30)37(48)43(35(29)46)21-22-6-2-1-3-7-22/h1-18,29-31,33-34,42,45H,19-21H2/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: COC1=C(C2=C3C(=C1)C(=O)OC4=C(C(=C(C(=C34)C(=O)O2)C5=C6C(=C(C(=C5OC)OC)OC)[C@@H]7[C@@H]([C@H]([C@H](O7)[C@@H](CO)O)O)OC6=O)OC)OC)OC
InChI: InChI=1S/C34H32O17/c1-41-12-8-10-13-14-17(33(39)50-26(13)22(12)42-2)15(24(44-4)31(47-7)27(14)49-32(10)38)16-18-19(25(45-5)30(46-6)23(16)43-3)28-29(51-34(18)40)20(37)21(48-28)11(36)9-35/h8,11,20-21,28-29,35-37H,9H2,1-7H3/t11-,20+,21-,28-,29-/m1/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H18ClNO3/c1-13-6-5-9-16-19(13)22(27)24(21(16)26)18-11-10-15(23)12-17(18)20(25)14-7-3-2-4-8-14/h2-8,10-13,16,19H,9H2,1H3/t13-,16-,19+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5C(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C40H56O5/c1-24(2)34-29-17-20-39(7)32(37(29,5)19-18-31(34)45-33(42)15-10-27-8-11-28(41)12-9-27)14-13-30-35-26(4)25(3)16-21-40(35,36(43)44)23-22-38(30,39)6/h8-13,15,24-26,29,31-32,34-35,41H,14,16-23H2,1-7H3,(H,43,44)/b15-10+/t25-,26+,29?,31+,32?,34?,35+,37+,38-,39-,40+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN(C)CC3=CN(N=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H27N5O2/c1-16-8-6-7-11-21(16)19(27)25(20(28)23-21)15-24(2)13-17-12-22-26(14-17)18-9-4-3-5-10-18/h3-5,9-10,12,14,16H,6-8,11,13,15H2,1-2H3,(H,23,28)/t16-,21+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)([C@H]([C@@H]2[C@H]3[C@@H]([C@H]([C@H](O2)CC=C)N(C(=O)C)C(=O)C4=CC=C(C=C4)Cl)OC(O3)(C)C)O)C(=O)OC)OC(=O)C
InChI: InChI=1S/C41H53ClN2O18/c1-11-12-27-31(44(20(3)46)38(52)25-13-15-26(42)16-14-25)34-35(61-40(8,9)60-34)36(59-27)37(51)41(39(53)54-10)17-28(56-22(5)48)30(43-19(2)45)33(62-41)32(58-24(7)50)29(57-23(6)49)18-55-21(4)47/h11,13-16,27-37,51H,1,12,17-18H2,2-10H3,(H,43,45)/t27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,41+/m1/s1
SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)O[C@@H]2[C@H]([C@@H]([C@H](OC2OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OCC3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C29H32Cl3NO10/c1-4-37-26(36)22(20-13-9-6-10-14-20)42-25-24(40-18(3)35)23(39-15-19-11-7-5-8-12-19)21(16-38-17(2)34)41-27(25)43-28(33)29(30,31)32/h5-14,21-25,27,33H,4,15-16H2,1-3H3/t21-,22-,23-,24+,25-,27?/m1/s1
SMILES: C1CCC(C1)N2[C@H]([C@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H20N2O5/c24-20-17-8-4-3-7-16(17)18(21(25)26)19(22(20)14-5-1-2-6-14)13-9-11-15(12-10-13)23(27)28/h3-4,7-12,14,18-19H,1-2,5-6H2,(H,25,26)/p-1/t18-,19-/m0/s1
SMILES: CCCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)OO
InChI: InChI=1S/C20H32O6/c1-2-3-6-9-15(26-25)12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-17,19,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/t15-,16+,17+,19+/m0/s1
SMILES: CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O.Cl
InChI: InChI=1S/C18H23NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1H/t11-,12-,13+,17+,18+;/m1./s1
SMILES: [H][C@]1([C@H]2CC(=C)[C@H]3[C@@H]1C([C@@H]([C@H]([C@H]([C@@]23C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)[2H]
InChI: InChI=1S/C21H30O6/c1-10-8-14-9-15-16(10)21(14,7)19(27-13(4)24)17(25-11(2)22)18(20(15,5)6)26-12(3)23/h14-19H,1,8-9H2,2-7H3/t14-,15-,16+,17-,18-,19-,21+/m1/s1/i9D/t9-,14-,15-,16+,17-,18-,19-,21+
SMILES: CCC\1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/[C@H]([C@@H](C(N4)C5=C6C(=C([C@@H]5C(=O)OC)O)C(=C(N6)/C=C1\N2)C)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/C55H78N4O5/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/h13,26,28-33,37,41,51-52,56-59,61H,1,14-25,27H2,2-12H3/b34-26+,43-29-,44-28-,47-30-/t32-,33+,37+,41+,51-,52?/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(F)(F)F
InChI: InChI=1S/C27H14Cl2F3NO5/c28-13-7-5-12(6-8-13)21-19-20(26(38-21)22(34)15-3-1-2-4-16(15)23(26)35)25(37)33(24(19)36)14-9-10-18(29)17(11-14)27(30,31)32/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C)Cl
InChI: InChI=1S/C21H31ClN2O5S/c1-5-24(6-2)30(27,28)19-12-16(10-11-17(19)22)21(26)29-13-20(25)23-18-9-7-8-14(3)15(18)4/h10-12,14-15,18H,5-9,13H2,1-4H3,(H,23,25)/t14-,15+,18-/m1/s1
SMILES: CC12CCC[C@@]3(C1[C@@H]([C@]45C3C[C@@H]([C@H](C4)C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O
InChI: InChI=1S/C23H34O5Si/c1-13-11-22-12-14(13)15(28-29(4,5)6)10-16(22)23-9-7-8-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14-,15+,16?,17-,18?,21?,22+,23-/m1/s1
SMILES: C[C@H](CCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C)C
InChI: InChI=1S/C44H73N3O6/c1-27(2)13-14-29(5)33-17-18-34-32-16-15-30-25-31(19-21-43(30,9)35(32)20-22-44(33,34)10)52-38(48)26-45-39(49)37-12-11-23-47(37)40(50)36(24-28(3)4)46-41(51)53-42(6,7)8/h15,27-29,31-37H,11-14,16-26H2,1-10H3,(H,45,49)(H,46,51)/t29-,31-,32+,33-,34+,35+,36+,37+,43+,44-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)C=O)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)C8CC8
InChI: InChI=1S/C50H59FN2O9/c1-2-25-59-50-45(53(49(57)35-17-18-35)31-33-15-19-37(51)20-16-33)30-43(52-62-46-14-5-8-26-58-46)41-28-36(11-3-6-23-54)40(13-4-7-24-55)47(48(41)50)42-29-39(21-22-44(42)61-50)60-38-12-9-10-34(27-38)32-56/h2,9-10,12,15-16,19-22,27-29,32,35-36,40,45-48,54-55H,1,3-8,11,13-14,17-18,23-26,30-31H2/t36-,40+,45-,46?,47+,48+,50+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C(C)C
InChI: InChI=1S/C35H35NO4/c1-19(2)23-17-12-20(3)18-28(23)40-35(39)21-13-15-22(16-14-21)36-33(37)31-29-24-8-4-5-9-25(24)30(32(31)34(36)38)27-11-7-6-10-26(27)29/h4-11,13-16,19-20,23,28-32H,12,17-18H2,1-3H3/t20-,23+,28+,29?,30?,31-,32+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)[N+](=O)[O-]
InChI: InChI=1S/C21H17N3O5/c22-12-13-5-10-19(18(11-13)24(27)28)29-15-8-6-14(7-9-15)23-20(25)16-3-1-2-4-17(16)21(23)26/h5-11,16-17H,1-4H2/t16-,17-/m0/s1
SMILES: C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C22H30N2O5/c1-14(20(25)24-18-10-6-9-16(18)13-19(24)21(26)27)23-17(22(28)29-2)12-11-15-7-4-3-5-8-15/h3-5,7-8,14,16-19,23H,6,9-13H2,1-2H3,(H,26,27)/t14-,16-,17-,18-,19-/m0/s1
SMILES: C1CC[NH+]2CCC[C@@H]([C@H]2C1)CNC(=O)C3=[N+](ON=C3N)[O-]
InChI: InChI=1S/C13H21N5O3/c14-12-11(18(20)21-16-12)13(19)15-8-9-4-3-7-17-6-2-1-5-10(9)17/h9-10H,1-8H2,(H2,14,16)(H,15,19)/p+1/t9-,10-/m1/s1
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@@H]3CCCN[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CC[C@@](C)(C=C)O)CCC=C2C)C)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O
InChI: InChI=1S/C32H54O10/c1-9-30(6,38)13-14-31(7)17(3)15-21(32(8)16(2)11-10-12-20(31)32)41-29-27(25(36)23(34)19(5)40-29)42-28-26(37)24(35)22(33)18(4)39-28/h9,11,17-29,33-38H,1,10,12-15H2,2-8H3/t17-,18-,19+,20-,21+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31+,32+/m1/s1
SMILES: C1C[C@H]2[C@H]([C@@H]([C@@H]1[C@H]([C@@H]2Cl)SC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H20ClNO4S2/c21-17-15-11-12-16(19(17)27-13-7-3-1-4-8-13)18(22(23)24)20(15)28(25,26)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17-,18-,19-,20-/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCC=C)OCC=C)C
InChI: InChI=1S/C52H62N2O8/c1-6-8-29-59-51(57)54(34-39-19-15-18-37-16-9-10-20-42(37)39)48-33-46(53-58-5)44-31-38(17-11-13-26-55)43(21-12-14-27-56)49-45-32-41(61-40-23-22-35(3)36(4)30-40)24-25-47(45)62-52(48,50(44)49)60-28-7-2/h6-7,9-10,15-16,18-20,22-25,30-32,38,43,48-50,55-56H,1-2,8,11-14,17,21,26-29,33-34H2,3-5H3/t38-,43+,48-,49+,50+,52+/m0/s1
SMILES: CC(C)CCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)C3CCCC3
InChI: InChI=1S/C28H41IN2O7/c1-17(2)8-10-31(28(36)19-6-4-5-7-19)22-14-20(27(35)30-9-11-32)15-23(25(22)34)38-26-21(29)12-18(16-33)13-24(26)37-3/h12-13,15,17,19,22-23,25,32-34H,4-11,14,16H2,1-3H3,(H,30,35)/t22-,23+,25+/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C30H38O8/c1-4-5-6-7-8-15-20-34-30-27(36-22(3)31)26(38-29(33)24-18-13-10-14-19-24)25(21(2)35-30)37-28(32)23-16-11-9-12-17-23/h9-14,16-19,21,25-27,30H,4-8,15,20H2,1-3H3/t21-,25-,26+,27+,30+/m0/s1
SMILES: CC1=CC=C(S1)C(=O)C2=C[C@]34CC(CC[C@@]3([C@@H]5[C@]2(C=C4)[C@@H]6CC[C@]([C@]6(CC5)C)(CN(CCC7=CC=CS7)C(=O)OC8=CC9=CC=CC=C9C=C8)O)C)O
InChI: InChI=1S/C45H49NO5S2/c1-29-10-13-36(53-29)39(48)35-27-43-21-22-45(35)37(41(43,2)18-14-32(47)26-43)15-19-42(3)38(45)16-20-44(42,50)28-46(23-17-34-9-6-24-52-34)40(49)51-33-12-11-30-7-4-5-8-31(30)25-33/h4-13,21-22,24-25,27,32,37-38,47,50H,14-20,23,26,28H2,1-3H3/t32?,37-,38-,41-,42+,43+,44-,45-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N(N1C)C(=O)[C@@H](C)[C@@H](C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3
InChI: InChI=1S/C21H23ClN2O4/c1-13(18(25)15-9-11-17(22)12-10-15)20(26)24-21(27)28-19(14(2)23(24)3)16-7-5-4-6-8-16/h4-14,18-19,25H,1-3H3/t13-,14-,18-,19-/m0/s1