EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=C(C=C(C(=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)Br)OCC6=CC=CC=C6
InChI: InChI=1S/C32H27BrN2O5/c1-38-26-17-24(25(33)18-27(26)39-20-22-13-7-3-8-14-22)29-28-30(40-35(29)23-15-9-4-10-16-23)32(37)34(31(28)36)19-21-11-5-2-6-12-21/h2-18,28-30H,19-20H2,1H3/t28-,29-,30-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)OS(=O)(=O)O
InChI: InChI=1S/C14H19NO9S/c1-8(17)15-11-13(24-25(19,20)21)12(18)10(7-16)23-14(11)22-9-5-3-2-4-6-9/h2-6,10-14,16,18H,7H2,1H3,(H,15,17)(H,19,20,21)/t10-,11-,12+,13-,14+/m1/s1
SMILES: C[C@@]1\2CC[C@@H](C([C@H]1C[C@H](C3=C[C@@H](C/C=C2\OC)C(C3=O)CN(C)C)OC)(C)C)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C32H47NO5/c1-31(2)27-18-26(36-7)24-17-22(25(30(24)34)19-33(4)5)11-14-29(37-8)32(27,3)16-15-28(31)38-20-21-9-12-23(35-6)13-10-21/h9-10,12-14,17,22,25-28H,11,15-16,18-20H2,1-8H3/b29-14-/t22-,25?,26-,27-,28+,32-/m1/s1
SMILES: CCCCCCCCCC1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)CO
InChI: InChI=1S/C25H38O2/c1-4-5-6-7-8-9-10-11-19-12-14-21-22-16-20(18-26)13-15-23(22)25(2,3)27-24(21)17-19/h12-14,17,22-23,26H,4-11,15-16,18H2,1-3H3/t22-,23+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC(=CC(=N2)C3=CC=CC=C3)C
InChI: InChI=1S/C21H27N3OS/c1-14-9-7-8-12-18(14)23-20(25)16(3)26-21-22-15(2)13-19(24-21)17-10-5-4-6-11-17/h4-6,10-11,13-14,16,18H,7-9,12H2,1-3H3,(H,23,25)/t14-,16+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=C(C(=CC(=C3C)C)C)C
InChI: InChI=1S/C21H28N2O3/c1-12-10-13(2)16(5)18(15(12)4)17(24)11-23-19(25)21(22-20(23)26)9-7-6-8-14(21)3/h10,14H,6-9,11H2,1-5H3,(H,22,26)/t14-,21-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CO3)(CC4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C22H24N2O5/c1-3-24-19(25)16-17(20(24)26)22(21(27)28-4-2,13-14-9-6-5-7-10-14)23-18(16)15-11-8-12-29-15/h5-12,16-18,23H,3-4,13H2,1-2H3/p+1/t16-,17+,18+,22-/m1/s1
SMILES: CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O
InChI: InChI=1S/C20H23ClN4O6S2/c1-5-6-9(11-8-33-18(22-11)24-19(30)31-20(2,3)4)14(26)23-12-15(27)25-13(17(28)29)10(21)7-32-16(12)25/h6,8,12,16H,5,7H2,1-4H3,(H,23,26)(H,28,29)(H,22,24,30)/b9-6-/t12-,16-/m1/s1
SMILES: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15C6=CC=CC=C6NC5=O)C(=O)N2
InChI: InChI=1S/C21H16N4O3/c1-20-18-22-13-8-4-2-6-11(13)17(27)25(18)15(16(26)24-20)10-21(20)12-7-3-5-9-14(12)23-19(21)28/h2-9,15H,10H2,1H3,(H,23,28)(H,24,26)/t15-,20+,21-/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)NC(=O)CCCCCNC(=O)C)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C35H45N3O5/c1-25-32(23-38(3)22-27-10-6-4-7-11-27)42-35(43-34(25)29-15-13-28(24-39)14-16-29)30-17-19-31(20-18-30)37-33(41)12-8-5-9-21-36-26(2)40/h4,6-7,10-11,13-20,25,32,34-35,39H,5,8-9,12,21-24H2,1-3H3,(H,36,40)(H,37,41)/t25-,32+,34+,35+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H76N2O8/c1-4-7-8-9-10-11-12-13-17-29-53(62)58(32-5-2)52-39-50(57-64-41-42-23-15-14-16-24-42)48-37-44(26-18-20-33-59)47(28-19-21-34-60)54-49-38-46(65-45-27-22-25-43(36-45)40-61)30-31-51(49)66-56(52,55(48)54)63-35-6-3/h6,14-16,22-25,27,30-31,36-38,40,44,47,52,54-55,59-60H,3-5,7-13,17-21,26,28-29,32-35,39,41H2,1-2H3/t44-,47+,52-,54+,55+,56+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](COC3=CC(=CC=C3)Cl)O[Si](C)(C)C(C)(C)C)CC(=O)O2
InChI: InChI=1S/C29H47ClO5Si2/c1-28(2,3)36(7,8)34-22(19-32-21-13-11-12-20(30)16-21)14-15-23-24-17-27(31)33-25(24)18-26(23)35-37(9,10)29(4,5)6/h11-16,22-26H,17-19H2,1-10H3/b15-14+/t22-,23-,24-,25+,26-/m1/s1
SMILES: C1=CN2C(=CN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H14N4O4/c12-10-11-14-3-5(15(11)2-1-13-10)9-8(18)7(17)6(4-16)19-9/h1-3,6-9,16-18H,4H2,(H2,12,13)/t6-,7-,8-,9+/m1/s1
SMILES: COC1=CC=CC=C1C2=CC(=NC(=N2)S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)C(F)(F)F
InChI: InChI=1S/C18H15F3N2O4S/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16+/m1/s1
SMILES: C1CC1CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)/C=C/C3=CNN=C3)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5
InChI: InChI=1S/C28H32N4O3/c33-26-24(15-20-7-3-1-4-8-20)31(14-13-23-17-29-30-18-23)28(35)32(19-22-11-12-22)25(27(26)34)16-21-9-5-2-6-10-21/h1-10,13-14,17-18,22,24-27,33-34H,11-12,15-16,19H2,(H,29,30)/b14-13+/t24-,25-,26+,27+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)OC(F)(F)F)O)C)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C31H27ClF4N2O6/c1-3-10-37-26(40)17-7-6-16-18(24(17)28(37)42)13-20-27(41)38(14-4-8-22(33)21(32)11-14)29(43)30(20,2)25(16)19-12-15(5-9-23(19)39)44-31(34,35)36/h4-6,8-9,11-12,17-18,20,24-25,39H,3,7,10,13H2,1-2H3/t17-,18+,20-,24-,25+,30+/m0/s1
SMILES: CC1=CC2=C(C=C1)C=CC(=C2)COC(=O)COCCOCC(=O)NC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O.N
InChI: InChI=1S/C33H43N3O21P2.H3N/c1-17-2-4-19-5-3-18(11-20(19)10-17)13-52-25(39)16-51-9-8-50-15-24(38)34-12-21-26(40)28(42)30(44)32(55-21)56-59(48,49)57-58(46,47)53-14-22-27(41)29(43)31(54-22)36-7-6-23(37)35-33(36)45;/h2-7,10-11,21-22,26-32,40-44H,8-9,12-16H2,1H3,(H,34,38)(H,46,47)(H,48,49)(H,35,37,45);1H3/t21-,22-,26+,27-,28+,29-,30-,31-,32-;/m1./s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H21N3O4/c1-12-7-5-6-10-14(12)21-17(24)16(23)20(18(21)25)11-15(22)19-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,19,22)/t12-,14-/m1/s1
SMILES: CC1=C2[C@](CCC(=O)N2C)(C3CC[C@]4([C@H](C3C1)CC[C@@H]4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F)C)C
InChI: InChI=1S/C28H34ClF3N2O2/c1-15-13-17-18-6-7-20(25(36)33-22-8-5-16(29)14-21(22)28(30,31)32)26(18,2)11-9-19(17)27(3)12-10-23(35)34(4)24(15)27/h5,8,14,17-20H,6-7,9-13H2,1-4H3,(H,33,36)/t17?,18-,19?,20+,26-,27+/m0/s1
SMILES: C[C@H]1C[C@@H](C2=C3[C@@]1(CC/C(=C/CC[C@]4([C@H]([C@]2(OC3)O)O4)C)/C)C)O
InChI: InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(24-19)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)21/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,15-,17+,18+,19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C
InChI: InChI=1S/C18H26N2O4S/c1-10-7-5-6-8-14(10)20-15(22)9-24-18(23)16-11(2)12(3)25-17(16)19-13(4)21/h10,14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t10-,14-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C22H24N2O3/c1-22(2,3)17-10-8-15(9-11-17)18-12-19(18)20(25)24-23-13-14-4-6-16(7-5-14)21(26)27/h4-11,13,18-19H,12H2,1-3H3,(H,24,25)(H,26,27)/b23-13+/t18-,19-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OO
InChI: InChI=1S/C21H30O4/c1-13(22)21(25-24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H]3[C@@H]([C@@H]4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC(=C6)Cl)Cl
InChI: InChI=1S/C26H17Cl2N3O3/c27-16-10-17(28)12-18(11-16)30-25(33)20-21(26(30)34)23(24(32)14-6-2-1-3-7-14)31-22(20)19-9-5-4-8-15(19)13-29-31/h1-13,20-23H/t20-,21+,22+,23+/m0/s1
SMILES: C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,22,24-25,27-28H,10,12,14-20H2,1-9H3/t22-,24-,25-,27-,28-,30+,31-,32+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCN5CCCCC5
InChI: InChI=1S/C26H35NO3/c1-26-13-11-21-20-8-6-19(30-25(29)12-16-27-14-3-2-4-15-27)17-18(20)5-7-22(21)23(26)9-10-24(26)28/h6,8,17,21-23H,2-5,7,9-16H2,1H3/t21-,22+,23-,26+/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=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C37H37N3O4S/c1-25-33(24-45-37-38-20-21-40(37)2)43-36(44-34(25)28-14-12-26(23-41)13-15-28)30-18-16-27(17-19-30)32-11-7-6-10-31(32)22-39-35(42)29-8-4-3-5-9-29/h3-21,25,33-34,36,41H,22-24H2,1-2H3,(H,39,42)/t25-,33+,34+,36+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@H](C)O)O)O
InChI: InChI=1S/C11H16N2O6/c1-4-3-13(11(18)12-9(4)17)10-7(16)6(15)8(19-10)5(2)14/h3,5-8,10,14-16H,1-2H3,(H,12,17,18)/t5-,6-,7+,8+,10+/m0/s1
SMILES: CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4C(=O)O
InChI: InChI=1S/C40H46N2O9/c1-2-3-10-21-41-36(43)32(42-37(44)33-29-17-18-30(23-29)34(33)38(45)46)22-26-15-19-31(20-16-26)51-35(39(47)49-24-27-11-6-4-7-12-27)40(48)50-25-28-13-8-5-9-14-28/h4-9,11-16,19-20,29-30,32-35H,2-3,10,17-18,21-25H2,1H3,(H,41,43)(H,42,44)(H,45,46)/t29-,30+,32-,33+,34-/m0/s1
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)C(=O)N
InChI: InChI=1S/C17H22N2O2S/c18-15(20)14-11-3-1-2-4-13(11)22-17(14)19-16(21)12-8-9-5-6-10(12)7-9/h9-10,12H,1-8H2,(H2,18,20)(H,19,21)/t9-,10-,12+/m0/s1
SMILES: C1=CC=C2[C@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)N)C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C25H19N3O3/c26-23(29)22-20-19(21-17-10-4-2-7-15(17)12-13-27(21)22)24(30)28(25(20)31)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,19-22H,(H2,26,29)/t19-,20+,21-,22-/m0/s1
SMILES: CC1=C2CCCCN3[C@]2(CCC3=O)[C@]4(C1=O)C(=C(C(=O)O4)C)OC
InChI: InChI=1S/C18H21NO5/c1-10-12-6-4-5-9-19-13(20)7-8-17(12,19)18(14(10)21)15(23-3)11(2)16(22)24-18/h4-9H2,1-3H3/t17-,18-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@H]([C@@H]3CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OS(=O)(=O)C
InChI: InChI=1S/C39H50O5SSi2/c1-38(2,3)46(32-20-12-8-13-21-32,33-22-14-9-15-23-33)42-29-31-28-37(44-45(7,40)41)36(31)30-43-47(39(4,5)6,34-24-16-10-17-25-34)35-26-18-11-19-27-35/h8-27,31,36-37H,28-30H2,1-7H3/t31-,36-,37+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3Cl)Cl)C4=CC=CC=C4Cl
InChI: InChI=1S/C18H14Cl3N/c19-10-8-14-11-5-3-6-12(11)17(22-18(14)16(21)9-10)13-4-1-2-7-15(13)20/h1-5,7-9,11-12,17,22H,6H2/t11-,12-,17-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)OCC
InChI: InChI=1S/C21H25NO4/c1-3-25-16-8-5-13(11-17(16)26-4-2)9-10-22-20(23)18-14-6-7-15(12-14)19(18)21(22)24/h5-8,11,14-15,18-19H,3-4,9-10,12H2,1-2H3/t14-,15+,18+,19-
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O)CCCCCCNCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl
InChI: InChI=1S/C40H59Cl2N3O4/c1-40-28-31(38-34-16-14-33(46)27-30(34)11-15-35(38)36(40)17-18-37(40)47)8-4-2-3-5-21-43-23-26-49-39(48)44-22-6-7-29-9-12-32(13-10-29)45(24-19-41)25-20-42/h9-10,12-13,27,31,35-37,43,47H,2-8,11,14-26,28H2,1H3,(H,44,48)/t31-,35-,36-,37-,40-/m0/s1
SMILES: CC(=CCC[C@]1([C@@H]2CCC(=C)[C@H]([C@]2(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C)CCC#N)C)C
InChI: InChI=1S/C28H49NOSi/c1-21(2)13-11-18-28(8)24-16-15-22(3)23(14-12-20-29)27(24,7)19-17-25(28)30-31(9,10)26(4,5)6/h13,23-25H,3,11-12,14-19H2,1-2,4-10H3/t23-,24-,25+,27-,28+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H31N3O2/c1-16-5-3-4-6-19(16)21-20(24)15-22-11-13-23(14-12-22)17-7-9-18(25-2)10-8-17/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t16-,19-/m1/s1
SMILES: CCCCC1(OCC(=O)[C@@]2(O1)CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)OC
InChI: InChI=1S/C27H38O6/c1-5-6-11-27(31-4)32-16-22(30)26(33-27)13-10-20-19-8-7-17-14-18(28)9-12-24(17,2)23(19)21(29)15-25(20,26)3/h9,12,14,19-21,23,29H,5-8,10-11,13,15-16H2,1-4H3/t19-,20-,21-,23+,24-,25-,26-,27?/m0/s1
SMILES: C/C=C(\C)/[C@H]1[C@@](C2=C(O1)C(=CNC2=O)C3=CC=CC=C3)(C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C35H39NO3Si/c1-7-25(2)32-35(6,30-31(39-32)29(23-36-33(30)37)26-17-11-8-12-18-26)24-38-40(34(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h7-23,32H,24H2,1-6H3,(H,36,37)/b25-7+/t32-,35-/m0/s1
SMILES: C1[C@H](C[C@H]([C@@H]1NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O)CN
InChI: InChI=1S/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18-,22-/m1/s1
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C15H18BrNO3/c1-9-8-10(16)6-7-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,12-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=C)/C=C/C(=C)C(F)(F)F)CC=C4[C@@]3(CCC(C4)OCOC)C
InChI: InChI=1S/C28H39F3O2/c1-18(6-7-19(2)28(29,30)31)23-10-11-24-22-9-8-20-16-21(33-17-32-5)12-14-26(20,3)25(22)13-15-27(23,24)4/h6-8,21-25H,1-2,9-17H2,3-5H3/b7-6+/t21?,22-,23+,24-,25-,26-,27+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C20H23N3O3S2/c1-26-18(25)14-5-2-12(3-6-14)11-27-20-23-22-19(28-20)21-17(24)10-16-9-13-4-7-15(16)8-13/h2-3,5-6,13,15-16H,4,7-11H2,1H3,(H,21,22,24)/t13-,15-,16-/m0/s1
SMILES: CCOC(=O)C1[C@@H]2CCO[C@@H]2C3=C(N1)C=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H16N2O5/c1-2-20-14(17)12-9-5-6-21-13(9)10-7-8(16(18)19)3-4-11(10)15-12/h3-4,7,9,12-13,15H,2,5-6H2,1H3/t9-,12?,13-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC2=CC=C(C=C2)Cl)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO)C(C)C
InChI: InChI=1S/C36H47ClN2O8/c1-20(2)25-10-5-21(3)13-29(25)46-19-31(42)39(17-22-6-8-24(37)9-7-22)28-16-27(36(44)38-11-12-40)32-26-14-23(18-41)15-30(45-4)34(26)47-35(32)33(28)43/h6-9,14-16,20-21,25,28-29,32-33,35,40-41,43H,5,10-13,17-19H2,1-4H3,(H,38,44)/t21-,25+,28+,29-,32-,33-,35-/m0/s1
SMILES: C[C@@H]1C[C@@]2(CC[C@H]3[C@@H](C(=O)C(C[C@@]3([C@H]2[C@H]4[C@@H]1OC(O4)(C)C)C)Br)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C30H53BrO4Si/c1-17(2)36(18(3)4,19(5)6)33-16-30-13-12-22-21(8)24(32)23(31)15-29(22,11)27(30)26-25(20(7)14-30)34-28(9,10)35-26/h17-23,25-27H,12-16H2,1-11H3/t20-,21+,22+,23?,25-,26-,27-,29+,30+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38+,39-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)C)O)(C)O)C)CCCN(CCC#N)C(=O)NCC(=O)OCC)C)O)(C)O
InChI: InChI=1S/C39H70N4O12/c1-11-29-39(10,51)33(47)28(8)43(18-14-17-42(16-13-15-40)37(49)41-21-30(44)52-12-2)22-23(3)20-38(9,50)34(26(6)32(46)27(7)35(48)54-29)55-36-31(45)24(4)19-25(5)53-36/h23-29,31-34,36,45-47,50-51H,11-14,16-22H2,1-10H3,(H,41,49)/t23-,24-,25+,26+,27-,28-,29-,31+,32+,33-,34-,36-,38-,39-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)C(=O)N[C@@H](CC(=O)OC)C2=CC=CC=C2)O)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C32H50N4O11/c1-16(2)14-20(34-28(41)22(17(3)4)36-31(44)47-32(5,6)7)27(40)35-23-24(38)25(39)26(46-30(23)43)29(42)33-19(15-21(37)45-8)18-12-10-9-11-13-18/h9-13,16-17,19-20,22-26,30,38-39,43H,14-15H2,1-8H3,(H,33,42)(H,34,41)(H,35,40)(H,36,44)/t19-,20-,22-,23+,24+,25+,26-,30?/m0/s1
SMILES: C=CC[C@@H]1[C@@H]2[C@@H](O2)[C@H](CO1)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C14H15NO7S/c1-2-5-10-13-14(21-13)11(8-20-10)22-23(18,19)12-7-4-3-6-9(12)15(16)17/h2-4,6-7,10-11,13-14H,1,5,8H2/t10-,11+,13-,14+/m1/s1
SMILES: C[C@@]12CCCC(=O)[C@H]1[C@@H](N[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO/c1-21-14-8-13-17(23)18(21)19(15-9-4-2-5-10-15)22-20(21)16-11-6-3-7-12-16/h2-7,9-12,18-20,22H,8,13-14H2,1H3/t18-,19-,20+,21+/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)C(Cl)(Cl)Cl)CSC5=NN=NN5C
InChI: InChI=1S/C30H30Cl3N5O4S/c1-18-25(17-43-29-35-36-37-38(29)2)41-27(42-26(18)21-11-9-19(16-39)10-12-21)24-8-4-7-23(14-24)22-6-3-5-20(13-22)15-34-28(40)30(31,32)33/h3-14,18,25-27,39H,15-17H2,1-2H3,(H,34,40)/t18-,25+,26+,27+/m1/s1
SMILES: C[C@@H]1CC[C@]2([C@H]([C@@]1(C)CCC3=COC=C3)C[C@@H](C=C2C(=O)[O-])O)C
InChI: InChI=1S/C20H28O4/c1-13-4-7-20(3)16(18(22)23)10-15(21)11-17(20)19(13,2)8-5-14-6-9-24-12-14/h6,9-10,12-13,15,17,21H,4-5,7-8,11H2,1-3H3,(H,22,23)/p-1/t13-,15-,17+,19+,20-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)C
InChI: InChI=1S/C18H26N2O/c1-11-6-12(2)17(13(3)7-11)20-18(21)19-10-16-9-14-4-5-15(16)8-14/h6-7,14-16H,4-5,8-10H2,1-3H3,(H2,19,20,21)/t14-,15-,16-/m0/s1
SMILES: CC(C)(C)C(=O)OCC1=CC(=O)[C@]([C@@H](O1)C2CCCC2)(CC=C)OC(=O)C(C)(C)C
InChI: InChI=1S/C24H36O6/c1-8-13-24(30-21(27)23(5,6)7)18(25)14-17(15-28-20(26)22(2,3)4)29-19(24)16-11-9-10-12-16/h8,14,16,19H,1,9-13,15H2,2-7H3/t19-,24-/m0/s1
SMILES: CCOC(=O)CCCN([C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=CC=C3
InChI: InChI=1S/C24H28N2O4/c1-4-29-21(27)11-8-14-26(18-9-6-5-7-10-18)22-19-15-17(16-25)12-13-20(19)30-24(2,3)23(22)28/h5-7,9-10,12-13,15,22-23,28H,4,8,11,14H2,1-3H3/t22-,23+/m0/s1
SMILES: CC(=O)OCC1=C([C@H]([C@H]2[C@@H]([C@@H]1OC(=O)C)O2)OC(=O)C)C=O
InChI: InChI=1S/C14H16O8/c1-6(16)19-5-10-9(4-15)11(20-7(2)17)13-14(22-13)12(10)21-8(3)18/h4,11-14H,5H2,1-3H3/t11-,12-,13+,14-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](C=[N+](O[C@@H]1OCC2=CC=CC=C2)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H19NO5/c1-14(21)24-18-17(16-10-6-3-7-11-16)12-20(22)25-19(18)23-13-15-8-4-2-5-9-15/h2-12,17-19H,13H2,1H3/t17-,18-,19+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C(=C\I)/Br)CO
InChI: InChI=1S/C13H14BrIN2O6/c1-6(19)22-10-2-7(5-18)23-12(10)17-4-8(9(14)3-15)11(20)16-13(17)21/h3-4,7,10,12,18H,2,5H2,1H3,(H,16,20,21)/b9-3+/t7-,10+,12+/m0/s1
SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C3C(=C(C=C4OC)Br)C1)O
InChI: InChI=1S/C17H20BrNO3/c1-19-6-5-17-4-3-10(20)7-14(17)22-16-13(21-2)8-12(18)11(9-19)15(16)17/h3-4,8,10,14,20H,5-7,9H2,1-2H3/t10-,14-,17-/m0/s1
SMILES: C1CC[C@]2(CC(=O)N(CCS2(=O)=O)CC3=CN=CC=C3)[C@@H](C1)CC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O3S/c26-22-16-23(11-5-4-10-21(23)15-19-7-2-1-3-8-19)29(27,28)14-13-25(22)18-20-9-6-12-24-17-20/h1-3,6-9,12,17,21H,4-5,10-11,13-16,18H2/t21-,23-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C7=CC=CC=C7)O
InChI: InChI=1S/C31H23Cl2FN4O6/c1-44-24-12-7-17(15-23(24)39)25-21-13-14-35-28(42)37(19-5-3-2-4-6-19)29(43)38(35)22(21)16-30(32)26(40)36(27(41)31(25,30)33)20-10-8-18(34)9-11-20/h2-13,15,22,25,39H,14,16H2,1H3/t22-,25+,30-,31+/m1/s1
SMILES: C1[C@@H]([C@H](C=CC1=O)C(=O)C2=CC=CO2)C(C(F)(F)F)(F)F
InChI: InChI=1S/C13H9F5O3/c14-12(15,13(16,17)18)9-6-7(19)3-4-8(9)11(20)10-2-1-5-21-10/h1-5,8-9H,6H2/t8-,9-/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC2=CC=CC=C2C=C1)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O5/c1-14(26-22(28)19-9-5-6-10-20(19)23(26)29)24(30)31-15(2)21(27)25-18-12-11-16-7-3-4-8-17(16)13-18/h3-8,11-15,19-20H,9-10H2,1-2H3,(H,25,27)/t14-,15+,19-,20-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCCCCCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C28H40N10O8/c39-9-15-19(41)21(43)27(45-15)37-13-35-17-23(31-11-33-25(17)37)29-7-5-3-1-2-4-6-8-30-24-18-26(34-12-32-24)38(14-36-18)28-22(44)20(42)16(10-40)46-28/h11-16,19-22,27-28,39-44H,1-10H2,(H,29,31,33)(H,30,32,34)/t15-,16-,19-,20-,21-,22-,27-,28-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(O[C@H]1[C@@H]([C@H](CO)O)OCC2=CC=CC=C2)CI
InChI: InChI=1S/C21H35IO5Si/c1-21(2,3)28(4,5)27-18-11-16(12-22)26-20(18)19(17(24)13-23)25-14-15-9-7-6-8-10-15/h6-10,16-20,23-24H,11-14H2,1-5H3/t16?,17-,18+,19+,20+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCNC(=O)C3=C(C=CC(=C3)SSC4=CC(=C(C=C4)[N+](=O)[O-])C(=O)NCCCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)[N+](=O)[O-])NC(=O)N2
InChI: InChI=1S/C44H60N10O10S4/c55-37(13-5-3-11-35-39-31(25-65-35)49-43(59)51-39)45-19-7-1-9-21-47-41(57)29-23-27(15-17-33(29)53(61)62)67-68-28-16-18-34(54(63)64)30(24-28)42(58)48-22-10-2-8-20-46-38(56)14-6-4-12-36-40-32(26-66-36)50-44(60)52-40/h15-18,23-24,31-32,35-36,39-40H,1-14,19-22,25-26H2,(H,45,55)(H,46,56)(H,47,57)(H,48,58)(H2,49,51,59)(H2,50,52,60)/t31-,32-,35-,36-,39-,40-/m0/s1
SMILES: CCCC(=O)O[C@H]1C[C@]2([C@@H](C=C1C)O[C@@H]3[C@@H]([C@H]([C@]2(C34CO4)C)OC(=O)C)O)COC(=O)C
InChI: InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3/t15-,16+,18+,19+,20+,21+,22+,23?/m0/s1
SMILES: CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@H]1C(=O)CC)C)C)OC(=O)C
InChI: InChI=1S/C26H40O3/c1-6-17-14-22-20-9-8-18-15-19(29-16(3)27)10-12-25(18,4)21(20)11-13-26(22,5)24(17)23(28)7-2/h8,17,19-22,24H,6-7,9-15H2,1-5H3/t17-,19-,20-,21-,22+,24-,25+,26+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)C[N+]4(CCCC4)C)CO)C
InChI: InChI=1S/C18H27N3O6/c1-18(2)26-13-12(10-22)25-16(14(13)27-18)20-8-11(15(23)19-17(20)24)9-21(3)6-4-5-7-21/h8,12-14,16,22H,4-7,9-10H2,1-3H3/p+1/t12-,13-,14-,16-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)O)O)O)N
InChI: InChI=1S/C24H47N5O12/c1-7(2)3-10(27)22(37)29-5-11-15(32)17(34)18(35)24(38-11)41-21-9(26)4-8(25)20(19(21)36)40-23-16(33)13(28)14(31)12(6-30)39-23/h7-21,23-24,30-36H,3-6,25-28H2,1-2H3,(H,29,37)/t8-,9+,10+,11-,12-,13+,14-,15-,16-,17+,18-,19-,20+,21-,23-,24-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(C3=CC=CC=C3)O)O
InChI: InChI=1S/C16H21N2O13P3/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(29-14)9-28-33(24,25)31-34(26,27)30-32(22,23)11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,17,20,21)/t12-,13+,14+/m0/s1
SMILES: CC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C
InChI: InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27+,28+,33-,34+/m1/s1
SMILES: CN1C(=O)C[C@@]2([C@]1(CC(=C)CC2)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H23NO4/c1-12-7-8-17(11-16(20)19(2)18(17,21)10-12)13-5-6-14(22-3)15(9-13)23-4/h5-6,9,21H,1,7-8,10-11H2,2-4H3/t17-,18+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)C(=O)NC)N=[N+]=[N-]
InChI: InChI=1S/C13H13ClN8O4/c1-5(23)25-9-6(20-21-15)8(12(24)16-2)26-13(9)22-4-19-7-10(14)17-3-18-11(7)22/h3-4,6,8-9,13H,1-2H3,(H,16,24)/t6-,8+,9-,13-/m1/s1
SMILES: CCN(CC1=CC=CC=C1)C(=O)COC(=O)[C@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C19H23NO3/c1-2-20(12-14-6-4-3-5-7-14)18(21)13-23-19(22)17-11-15-8-9-16(17)10-15/h3-9,15-17H,2,10-13H2,1H3/t15-,16+,17+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]1OC(=O)C)C(C=C)OC(=O)C)OCC2=CC=CC=C2
InChI: InChI=1S/C20H24O8/c1-5-16(25-12(2)21)17-18(24-11-15-9-7-6-8-10-15)19(26-13(3)22)20(28-17)27-14(4)23/h5-10,16-20H,1,11H2,2-4H3/t16?,17-,18+,19-,20+/m1/s1
SMILES: C[C@H]([C@H]1[C@H](NC1=O)S(=O)(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C12H25NO4SSi/c1-8(17-19(6,7)12(2,3)4)9-10(14)13-11(9)18(5,15)16/h8-9,11H,1-7H3,(H,13,14)/t8-,9-,11-/m1/s1
SMILES: CC1=CC[C@H]2[C@]([C@@H]1CC3=C(C=CC(=C3)OC4CCCCO4)OC5CCCCO5)(CCCC2(C)C)C
InChI: InChI=1S/C31H46O4/c1-22-12-15-27-30(2,3)16-9-17-31(27,4)25(22)21-23-20-24(34-28-10-5-7-18-32-28)13-14-26(23)35-29-11-6-8-19-33-29/h12-14,20,25,27-29H,5-11,15-19,21H2,1-4H3/t25-,27-,28?,29?,31+/m1/s1
SMILES: C[C@@]12CC=C3[C@@H]([C@@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5
InChI: InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17-,19+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=C(C(=CC=C2)Cl)Cl
InChI: InChI=1S/C14H13Cl2F3N2O4/c1-2-25-11(22)8-10(6-4-3-5-7(15)9(6)16)20-12(23)21-13(8,24)14(17,18)19/h3-5,8,10,24H,2H2,1H3,(H2,20,21,23)/t8-,10-,13-/m1/s1
SMILES: CS(=O)(=O)O[C@@H]1[C@@H](N(C1=O)CC2=CC=CC=C2)[C@@H](CO)O
InChI: InChI=1S/C13H17NO6S/c1-21(18,19)20-12-11(10(16)8-15)14(13(12)17)7-9-5-3-2-4-6-9/h2-6,10-12,15-16H,7-8H2,1H3/t10-,11+,12-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5Cl
InChI: InChI=1S/C21H18ClNO3/c22-16-3-1-2-4-17(16)26-15-9-7-14(8-10-15)23-20(24)18-12-5-6-13(11-12)19(18)21(23)25/h1-4,7-10,12-13,18-19H,5-6,11H2/t12-,13+,18-,19+
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=CC(=CC=C4)C(F)(F)F)C
InChI: InChI=1S/C20H22F3NO3S/c1-18(2)14-8-9-19(18)12-28(26,27)24(16(19)11-14)17(25)7-6-13-4-3-5-15(10-13)20(21,22)23/h3-7,10,14,16H,8-9,11-12H2,1-2H3/b7-6+/t14-,16+,19-/m0/s1