EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H24O12/c1-28-17(27)10-7-29-18(31-19-15(25)14(24)13(23)11(6-22)30-19)12-9(10)2-3-20(12)4-8(5-21)16(26)32-20/h2-4,7,9,11-15,18-19,21-25H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,18+,19+,20-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2C[Si](CC[C@H](N2C1=O)C(=O)OC(C)(C)C)(C)C)OS(=O)(=O)C
InChI: InChI=1S/C17H31NO6SSi/c1-11(24-25(5,21)22)14-13-10-26(6,7)9-8-12(18(13)15(14)19)16(20)23-17(2,3)4/h11-14H,8-10H2,1-7H3/t11-,12+,13-,14-/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)Cl)C(=O)N2)C
InChI: InChI=1S/C24H21Cl2N3O3/c1-11-5-7-14-20(12(11)2)27-23(32)24(14)19-18(17-4-3-9-28(17)24)21(30)29(22(19)31)13-6-8-15(25)16(26)10-13/h5-8,10,17-19H,3-4,9H2,1-2H3,(H,27,32)/t17-,18+,19+,24+/m1/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=CC=C1C#N)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H21N3O5/c1-12(24-19(26)15-8-4-5-9-16(15)20(24)27)21(28)29-13(2)18(25)23-17-10-6-3-7-14(17)11-22/h3-7,10,12-13,15-16H,8-9H2,1-2H3,(H,23,25)/t12-,13-,15+,16+/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@H](O3)CC/C(=C/[C@H]2OC1=O)/C)C
InChI: InChI=1S/C15H22O3/c1-9-4-5-13-15(3,18-13)7-6-11-10(2)14(16)17-12(11)8-9/h8,10-13H,4-7H2,1-3H3/b9-8+/t10-,11-,12+,13+,15-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C16H19NO5/c1-10(18)21-13-12(11-8-6-5-7-9-11)17(14(13)19)15(20)22-16(2,3)4/h5-9,12-13H,1-4H3/t12-,13+/m0/s1
SMILES: CC1=C([C@@H]2[C@H](C1)C2(C)C)[C@@H]3[C@@H](C(=O)N3CC4=CC=CO4)N=[N+]=[N-]
InChI: InChI=1S/C17H20N4O2/c1-9-7-11-13(17(11,2)3)12(9)15-14(19-20-18)16(22)21(15)8-10-5-4-6-23-10/h4-6,11,13-15H,7-8H2,1-3H3/t11-,13-,14-,15+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C=CC6=CC(=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8)Cl
InChI: InChI=1S/C44H36ClNO6/c1-25-13-16-29(22-36(25)45)46-42(50)31-18-17-30-33(40(31)43(46)51)23-35-41(49)32(27-9-5-3-6-10-27)24-39(48)44(35,28-11-7-4-8-12-28)34(30)19-14-26-15-20-37(47)38(21-26)52-2/h3-17,19-22,24,31,33-35,40,47H,18,23H2,1-2H3/t31-,33+,34-,35-,40-,44-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)OC)O)O)O)O
InChI: InChI=1S/C23H40O17/c1-6-10(26)12(28)15(31)21(36-6)39-18-9(25)5-35-23(33-3)19(18)40-22-16(32)13(29)17(7(2)37-22)38-20-14(30)11(27)8(24)4-34-20/h6-32H,4-5H2,1-3H3/t6-,7-,8+,9+,10-,11-,12+,13-,14+,15+,16+,17-,18-,19+,20-,21-,22-,23+/m0/s1
SMILES: C1[C@H]2[C@@H]3[C@]2(N1S(=O)(=O)C4=CC=CC=C34)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C18H15NO4S/c20-17(23-11-12-6-2-1-3-7-12)18-14-10-19(18)24(21,22)15-9-5-4-8-13(15)16(14)18/h1-9,14,16H,10-11H2/t14-,16+,18-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H]([C@H]2OC)OC)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H26N2O6S2/c1-15-5-9-17(10-6-15)29(23,24)21-13-14-22(20(28-4)19(21)27-3)30(25,26)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]2N1[C@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)O)O
InChI: InChI=1S/C22H27NO5/c24-12-17-21(27-13-15-7-3-1-4-8-15)22(19-20(26)18(25)11-23(17)19)28-14-16-9-5-2-6-10-16/h1-10,17-22,24-26H,11-14H2/t17-,18+,19+,20-,21+,22+/m0/s1
SMILES: CC1O[C@@H]([C@H](O1)[C@@H](C2=CC=CC=C2)[C@H](C)COS(=O)(=O)C)[C@@H](C)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC6([C@@H]7[C@@]5(C[C@@H]8[C@H](C7)OC(O8)(C)C)C)OCCO6)C
InChI: InChI=1S/C41H62O9S/c1-24(23-46-51(8,42)43)35(27-12-10-9-11-13-27)37-36(47-26(3)48-37)25(2)29-14-15-30-28-21-41(44-18-19-45-41)34-20-32-33(50-38(4,5)49-32)22-40(34,7)31(28)16-17-39(29,30)6/h9-13,24-26,28-37H,14-23H2,1-8H3/t24-,25+,26?,28+,29-,30+,31+,32+,33-,34+,35-,36-,37-,39-,40-/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)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CCOCC7
InChI: InChI=1S/C43H45N3O6/c1-30-40(28-46-21-23-49-24-22-46)51-42(52-41(30)33-15-13-31(29-47)14-16-33)36-10-6-9-35(26-36)34-8-5-7-32(25-34)27-44-43(48)45-37-17-19-39(20-18-37)50-38-11-3-2-4-12-38/h2-20,25-26,30,40-42,47H,21-24,27-29H2,1H3,(H2,44,45,48)/t30-,40+,41+,42+/m1/s1
SMILES: C[C@H](CCC[C@@H](C)OC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C34H60O3Si/c1-23(12-11-13-24(2)36-25(3)35)29-16-17-30-28-15-14-26-22-27(37-38(9,10)32(4,5)6)18-20-33(26,7)31(28)19-21-34(29,30)8/h14,23-24,27-31H,11-13,15-22H2,1-10H3/t23-,24-,27?,28+,29-,30+,31+,33+,34-/m1/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)C(=O)OCC=C)NC(=O)CC(=O)CCCCCCCCCCC
InChI: InChI=1S/C36H65NO8/c1-4-7-9-11-13-15-17-19-21-23-26-43-34-32(35(36(42)44-25-6-3)45-30(28-38)33(34)41)37-31(40)27-29(39)24-22-20-18-16-14-12-10-8-5-2/h6,30,32-35,38,41H,3-5,7-28H2,1-2H3,(H,37,40)/t30-,32-,33-,34-,35+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C20H29N3O3S/c1-13-6-5-7-16(14(13)2)21-20(27)23-22-19(24)11-9-15-8-10-17(25-3)18(12-15)26-4/h8-14,16H,5-7H2,1-4H3,(H,22,24)(H2,21,23,27)/b11-9+/t13-,14+,16+/m0/s1
SMILES: C[C@H](/C=C/[C@@H](COS(=O)(=O)O)C(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@H]([C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C)O)O)C)O
InChI: InChI=1S/C33H56O12S/c1-17(2)19(15-44-46(40,41)42)7-6-18(3)21-13-23(34)29-32(21,5)11-9-26-31(4)10-8-20(12-22(31)24(35)14-33(26,29)39)45-30-28(38)27(37)25(36)16-43-30/h6-7,17-30,34-39H,8-16H2,1-5H3,(H,40,41,42)/b7-6+/t18-,19+,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+/m1/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)Cl
InChI: InChI=1S/C23H20Cl2N4O4/c1-10-14(25)7-6-13-19(10)27-22(33)23(13)18-17(15(28-23)8-9-16(26)30)20(31)29(21(18)32)12-4-2-11(24)3-5-12/h2-7,15,17-18,28H,8-9H2,1H3,(H2,26,30)(H,27,33)/t15-,17+,18-,23+/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)/C=C/C(=O)COC3=CC=CC=C3)O
InChI: InChI=1S/C17H18O5/c18-11(10-21-12-4-2-1-3-5-12)6-7-13-14-8-17(20)22-16(14)9-15(13)19/h1-7,13-16,19H,8-10H2/b7-6+/t13-,14-,15-,16+/m1/s1
SMILES: C[C@H]1[C@H]2C[C@H](C2(C)C)C3=C1N=C4C(=C3)C=CC5=C4N=CC=C5
InChI: InChI=1S/C20H20N2/c1-11-15-10-16(20(15,2)3)14-9-13-7-6-12-5-4-8-21-18(12)19(13)22-17(11)14/h4-9,11,15-16H,10H2,1-3H3/t11-,15+,16-/m0/s1
SMILES: C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@H](C6=C4C(=CC=C6)O)O)OC3=CC=C2
InChI: InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)20(19-18(23-19)17(11)22)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18+,19+/m0/s1
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C
InChI: InChI=1S/C23H27N3O3/c1-15-7-8-16(2)26(15)18-11-9-17(10-12-18)24-21(27)13-14-25-22(28)19-5-3-4-6-20(19)23(25)29/h7-12,19-20H,3-6,13-14H2,1-2H3,(H,24,27)/t19-,20-/m0/s1
SMILES: C([C@H]1[C@@H]([C@@H]([C@@H](O1)[N+]2=C(NC3=C2N[C@@H](NC3=O)[NH3+])Br)O)O)O
InChI: InChI=1S/C10H14BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,10,17-19H,1,12H2,(H2,14,15,20)/p+2/t2-,4-,5-,8+,10-/m0/s1
SMILES: CCCCCNC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CN=C2SCC4=CC=CC=C4
InChI: InChI=1S/C28H35N5O7S/c1-5-6-10-13-29-28-32-22-25(30-16-31-26(22)41-15-20-11-8-7-9-12-20)33(28)27-24(39-19(4)36)23(38-18(3)35)21(40-27)14-37-17(2)34/h7-9,11-12,16,21,23-24,27H,5-6,10,13-15H2,1-4H3,(H,29,32)/t21-,23-,24-,27-/m1/s1
SMILES: CC(C)COC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C27H40O6/c1-16(2)14-32-24(29)22-20(28)13-27(8,31)23(25(30)33-15-17(3)4)21(22)18-9-11-19(12-10-18)26(5,6)7/h9-12,16-17,21-23,31H,13-15H2,1-8H3/t21-,22-,23-,27+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C(=O)C4CCOC4
InChI: InChI=1S/C32H39IN2O10/c1-41-23-4-5-26(42-2)20(14-23)6-9-35(32(40)21-7-11-44-18-21)25-15-22(31(39)34-8-10-36)16-27(29(25)38)45-30-24(33)12-19(17-37)13-28(30)43-3/h4-5,12-14,16-17,21,25,27,29,36,38H,6-11,15,18H2,1-3H3,(H,34,39)/t21?,25-,27+,29+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCC(=O)N
InChI: InChI=1S/C20H23ClN4O4/c1-2-3-9-25-17(27)14-12(7-8-13(22)26)24-20(15(14)18(25)28)10-5-4-6-11(21)16(10)23-19(20)29/h4-6,12,14-15,24H,2-3,7-9H2,1H3,(H2,22,26)(H,23,29)/p+1/t12-,14+,15-,20+/m0/s1
SMILES: CC/C=C(\C)/CN1C[C@H]2[C@@H](O[C@@H]([C@H]1CC3=CC=CC=C3)O2)CO
InChI: InChI=1S/C19H27NO3/c1-3-7-14(2)11-20-12-17-18(13-21)23-19(22-17)16(20)10-15-8-5-4-6-9-15/h4-9,16-19,21H,3,10-13H2,1-2H3/b14-7+/t16-,17+,18+,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]3[C@]4([C@]25CC[C@@]6([C@@]4(CC[C@@H](C6)OC(=O)C)C)C7C5C(=O)OC7=O)O3)C
InChI: InChI=1S/C33H48O6/c1-18(2)8-7-9-19(3)22-10-11-23-29(22,5)17-24-33(39-24)30(6)13-12-21(37-20(4)34)16-31(30)14-15-32(23,33)26-25(31)27(35)38-28(26)36/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22-,23-,24-,25?,26?,29-,30+,31+,32-,33+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC
InChI: InChI=1S/C23H23N5O2/c1-3-15-5-7-16(8-6-15)20-19-12-28(22(29)30-4-2)10-9-17(19)18(11-24)21(27)23(20,13-25)14-26/h5-9,19-20H,3-4,10,12,27H2,1-2H3/t19-,20-/m1/s1
SMILES: COC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C10H14N2O6/c1-17-6-2-3-12(10(16)11-6)9-8(15)7(14)5(4-13)18-9/h2-3,5,7-9,13-15H,4H2,1H3/t5-,7-,8+,9-/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4CC[C@@H](C[C@H]4C3=O)C
InChI: InChI=1S/C26H30N2O3/c1-4-17-9-8-10-18(5-2)23(17)27-24(29)20-11-6-7-12-22(20)28-25(30)19-14-13-16(3)15-21(19)26(28)31/h6-12,16,19,21H,4-5,13-15H2,1-3H3,(H,27,29)/t16-,19+,21+/m0/s1
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O
InChI: InChI=1S/C23H21N5O8S/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(35-22)10-34-23(31)13-6-8-15(9-7-13)37(32,33)36-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,29-30H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1CN3C[C@@H]4CC=C[C@@H]4C5=C(C=CC2=C53)NC(=O)C6=CC=CC=C6
InChI: InChI=1S/C25H24N2O/c28-25(16-6-2-1-3-7-16)26-22-13-12-21-19-10-4-8-17(19)14-27-15-18-9-5-11-20(18)23(22)24(21)27/h1-7,10-13,17-20H,8-9,14-15H2,(H,26,28)/t17-,18+,19+,20+/m1/s1
SMILES: C1C[C@H]2C[C@H]1CC[C@@H]2OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H17NO3/c16-15(17)12-4-6-13(7-5-12)18-14-8-2-10-1-3-11(14)9-10/h4-7,10-11,14H,1-3,8-9H2/t10-,11+,14+/m1/s1
SMILES: C[C@@H]1CCC/C=C/[C@@H](/C=C/[C@@H]([C@@H](CC(=O)O1)SC2=CC=CC=C2)O)O
InChI: InChI=1S/C20H26O4S/c1-15-8-4-2-5-9-16(21)12-13-18(22)19(14-20(23)24-15)25-17-10-6-3-7-11-17/h3,5-7,9-13,15-16,18-19,21-22H,2,4,8,14H2,1H3/b9-5+,13-12+/t15-,16+,18+,19-/m1/s1
SMILES: CO[C@H]1C2=C([C@H](COC2=O)O)[C@H]([C@@H](O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C
InChI: InChI=1S/C17H24O11/c1-3-6-9-7(19)5-25-14(23)10(9)16(24-2)27-15(6)28-17-13(22)12(21)11(20)8(4-18)26-17/h3,6-8,11-13,15-22H,1,4-5H2,2H3/t6-,7+,8-,11-,12+,13-,15+,16-,17+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CS4)O
InChI: InChI=1S/C21H25NO3S/c1-25-16-9-7-15(8-10-16)19-17-5-2-3-11-21(17,24)12-13-22(19)20(23)18-6-4-14-26-18/h4,6-10,14,17,19,24H,2-3,5,11-13H2,1H3/t17-,19+,21+/m1/s1
SMILES: CCCCCC[C@H]1CC(=O)[C@H]2CCCC[C@@]2(N1C(=O)OC)CCC=C
InChI: InChI=1S/C21H35NO3/c1-4-6-8-9-12-17-16-19(23)18-13-10-11-15-21(18,14-7-5-2)22(17)20(24)25-3/h5,17-18H,2,4,6-16H2,1,3H3/t17-,18+,21-/m0/s1
SMILES: CC(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=CC=C3
InChI: InChI=1S/C16H20N2O3S2/c1-11(2)15(19)17-16-18(8-12-6-4-3-5-7-12)13-9-23(20,21)10-14(13)22-16/h3-7,11,13-14H,8-10H2,1-2H3/t13-,14+/m1/s1
SMILES: C[C@H](CC[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)OC)O)O)C(C)C)[C@H]2C[C@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@@H]5[C@@]4(CC[C@@H]([C@@H]5O)O)C)O)C)O
InChI: InChI=1S/C34H60O9/c1-17(2)19(15-42-32-31(40)30(39)26(41-6)16-43-32)8-7-18(3)22-14-25(37)27-20-13-24(36)28-29(38)23(35)10-12-33(28,4)21(20)9-11-34(22,27)5/h17-32,35-40H,7-16H2,1-6H3/t18-,19+,20-,21+,22-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-/m1/s1
SMILES: CCC1=CC(=C(S1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)C(=O)OCC
InChI: InChI=1S/C20H27NO5S/c1-3-15-10-16(20(24)25-4-2)19(27-15)21-17(22)11-26-18(23)9-14-8-12-5-6-13(14)7-12/h10,12-14H,3-9,11H2,1-2H3,(H,21,22)/t12-,13+,14+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS3)CO)O
InChI: InChI=1S/C11H14N2O5S/c1-5-2-13(10(17)12-8(5)16)9-6-7(15)11(3-14,18-9)4-19-6/h2,6-7,9,14-15H,3-4H2,1H3,(H,12,16,17)/t6-,7+,9-,11+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N1[C@@H]2CCN(C[C@@H]2C3=C1C=CC(=C3)C)C
InChI: InChI=1S/C29H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)31-27-19-18-24(2)22-25(27)26-23-30(3)21-20-28(26)31/h18-19,22,26,28H,4-17,20-21,23H2,1-3H3/t26-,28-/m1/s1
SMILES: CCN1[C@@H]2[C@@H](C(=C(O2)C)C(=O)OC3=CC=C(C=C3)O)NC4=CC=CC=C41
InChI: InChI=1S/C20H20N2O4/c1-3-22-16-7-5-4-6-15(16)21-18-17(12(2)25-19(18)22)20(24)26-14-10-8-13(23)9-11-14/h4-11,18-19,21,23H,3H2,1-2H3/t18-,19+/m1/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C=C=C([C@H](C2=CC=CC(=C2)C)O)[Si](C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C25H32N2O2Si/c1-18-11-10-14-21(17-18)24(28)22(30(4,5)6)15-16-27-23(19(2)26(3)25(27)29)20-12-8-7-9-13-20/h7-14,16-17,19,23-24,28H,1-6H3/t15?,19-,23-,24-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-8-7-13-15(9-23)19(26)21(11-24,12-25)18(16(13)10-27)14-5-3-4-6-17(14)22/h3-7,15-16,18,26H,2,8,10H2,1H3/t15?,16-,18+/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C(=O)O3
InChI: InChI=1S/C22H19FN2O4/c23-13-4-6-14(7-5-13)24-20(26)11-2-1-3-15(8-11)25-21(27)18-12-9-16-17(10-12)29-22(28)19(16)18/h1-8,12,16-19H,9-10H2,(H,24,26)(H,25,27)/t12-,16+,17-,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)O
InChI: InChI=1S/C20H31N3O2/c1-15-5-3-4-6-19(15)21-20(25)16(2)22-11-13-23(14-12-22)17-7-9-18(24)10-8-17/h7-10,15-16,19,24H,3-6,11-14H2,1-2H3,(H,21,25)/p+1/t15-,16+,19-/m0/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1C)C(=O)O)C3=CC=CC=C3O2
InChI: InChI=1S/C14H15NO4/c1-14-7-9(8-5-3-4-6-10(8)19-14)11(13(17)18)12(16)15(14)2/h3-6,9,11H,7H2,1-2H3,(H,17,18)/t9-,11-,14-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C18H20N2O6/c1-10-5-3-4-6-14(10)19-17(21)13-8-11-7-12(20(23)24)9-15(25-2)16(11)26-18(13)22/h7-10,14H,3-6H2,1-2H3,(H,19,21)/t10-,14-/m1/s1
SMILES: C[C@]1(CCC[C@]2([C@H]1C[C@@H](C3=C2C=CC(=C3)C(C)(C)O)O)C)C=O
InChI: InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3/t16-,17-,19-,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H]2N)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C26H33N3O3Si/c1-18-16-29(25(31)28-24(18)30)22-15-19(23(22)27)17-32-33(26(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,19,22-23H,15,17,27H2,1-4H3,(H,28,30,31)/t19-,22-,23-/m1/s1
SMILES: CCCOP(=O)(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C
InChI: InChI=1S/C37H42N3O10P/c1-5-21-47-51(43,48-22-9-20-38)50-32-23-34(40-24-26(2)35(41)39-36(40)42)49-33(32)25-46-37(27-10-7-6-8-11-27,28-12-16-30(44-3)17-13-28)29-14-18-31(45-4)19-15-29/h6-8,10-19,24,32-34H,5,9,21-23,25H2,1-4H3,(H,39,41,42)/t32-,33+,34+,51?/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=CC8=CC=CC=C87)C)C(=C3)C(=O)C9=CC(=C(C=C9)F)F)O
InChI: InChI=1S/C41H41F2NO4/c1-37-15-12-28(45)21-39(37)18-19-41(30(22-39)35(46)26-10-11-31(42)32(43)20-26)33(37)13-16-38(2)34(41)14-17-40(38)24-44(36(47)48-40)23-27-8-5-7-25-6-3-4-9-29(25)27/h3-11,18-20,22,28,33-34,45H,12-17,21,23-24H2,1-2H3/t28-,33+,34+,37+,38-,39-,40+,41+/m0/s1
SMILES: C[C@@H](CC(=O)OCC1=CC=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C37H56O12/c1-22(19-25(38)43-20-23-17-15-14-16-18-23)45-29-28(49-33(42)37(11,12)13)27(48-32(41)36(8,9)10)26(47-31(40)35(5,6)7)24(46-29)21-44-30(39)34(2,3)4/h14-18,22,24,26-29H,19-21H2,1-13H3/t22-,24+,26+,27-,28+,29+/m0/s1
SMILES: COCCNC(=O)[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CN3C=C(N=N3)CCO
InChI: InChI=1S/C16H27N5O3/c1-24-7-4-17-16(23)15-11-20-5-2-12(15)8-14(20)10-21-9-13(3-6-22)18-19-21/h9,12,14-15,22H,2-8,10-11H2,1H3,(H,17,23)/p+1/t12-,14+,15-/m0/s1
SMILES: C[C@@H]1[C@@H](C2=CC3=C(C=C2O[C@@]1(C)N4CCCC4)OCO3)C5=C(C=C(C=C5)OC)OC
InChI: InChI=1S/C24H29NO5/c1-15-23(17-8-7-16(26-3)11-19(17)27-4)18-12-21-22(29-14-28-21)13-20(18)30-24(15,2)25-9-5-6-10-25/h7-8,11-13,15,23H,5-6,9-10,14H2,1-4H3/t15-,23-,24-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C23H20N2O3/c1-13-3-2-4-17(11-13)24-21(26)14-7-9-18(10-8-14)25-22(27)19-15-5-6-16(12-15)20(19)23(25)28/h2-11,15-16,19-20H,12H2,1H3,(H,24,26)/t15-,16+,19-,20+
SMILES: C[C@H]1CN(CCN1)C(=N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C5=O)[C@@H](CC6=CC=CC=C6)CO
InChI: InChI=1S/C33H43N5O3/c1-20-18-37(13-12-34-20)32(36-29-16-23-15-28(21(29)2)33(23,3)4)35-24-10-11-26-27(17-24)31(41)38(30(26)40)25(19-39)14-22-8-6-5-7-9-22/h5-11,17,20-21,23,25,28-29,34,39H,12-16,18-19H2,1-4H3,(H,35,36)/t20-,21-,23+,25-,28-,29-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)O)CC[C@]6([C@@]5(C[C@H]([C@@H]6C7=CC(=O)OC7)OC(=O)C)O)C)O)OC(=O)C
InChI: InChI=1S/C32H44O12/c1-15-9-25(42-17(3)34)32(38)28(40-15)43-22-11-19-5-6-21-20(30(19,36)12-23(22)44-32)7-8-29(4)27(18-10-26(35)39-14-18)24(41-16(2)33)13-31(21,29)37/h10,15,19-25,27-28,36-38H,5-9,11-14H2,1-4H3/t15-,19+,20+,21-,22-,23-,24-,25+,27+,28+,29-,30-,31+,32+/m1/s1
SMILES: CC1([C@H]([C@@H](N[C@@H]([C@H]1[N+](=O)[O-])C2=CC=CC=N2)C3=CC=CC=N3)[N+](=O)[O-])C
InChI: InChI=1S/C17H19N5O4/c1-17(2)15(21(23)24)13(11-7-3-5-9-18-11)20-14(16(17)22(25)26)12-8-4-6-10-19-12/h3-10,13-16,20H,1-2H3/t13-,14+,15-,16+
SMILES: CCC[C@H]1CC[C@@H]2[C@@H](CCC[C@@H]2N1C(=O)C(F)(F)F)C
InChI: InChI=1S/C15H24F3NO/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)19(11)14(20)15(16,17)18/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13+/m1/s1
SMILES: CC(C)[Si](C)(C)C1=C(C=C2CCC3C(C2=C1)CC[C@]4(C3CC[C@@H]4O)C)O
InChI: InChI=1S/C23H36O2Si/c1-14(2)26(4,5)21-13-18-15(12-20(21)24)6-7-17-16(18)10-11-23(3)19(17)8-9-22(23)25/h12-14,16-17,19,22,24-25H,6-11H2,1-5H3/t16?,17?,19?,22-,23-/m0/s1
SMILES: CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=NC(SC4)N)SC2)C(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C18H20N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h9,15,17H,3-5,19H2,1-2H3,(H,21,27)(H,23,29)(H,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-,17?;;/m1../s1
SMILES: CC1=CN=C(C=N1)C(=O)N2C[C@@H]3COC4=CC=CC=C4[C@@H]3N2CC5=CC(=CC(=C5)OC)OC
InChI: InChI=1S/C25H26N4O4/c1-16-11-27-22(12-26-16)25(30)29-14-18-15-33-23-7-5-4-6-21(23)24(18)28(29)13-17-8-19(31-2)10-20(9-17)32-3/h4-12,18,24H,13-15H2,1-3H3/t18-,24-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C16H19NO4/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(20)21/h6-9,13-14H,2-5H2,1H3,(H,17,19)(H,20,21)/p-1/t13-,14+/m0/s1
SMILES: C1C[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)[C@]6([NH+]2C1)C7=CC=CC=C7NC6=O
InChI: InChI=1S/C26H21N3O3/c30-23-21-20-13-6-14-28(20)26(17-10-3-4-11-18(17)27-25(26)32)22(21)24(31)29(23)19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-12,20-22H,6,13-14H2,(H,27,32)/p+1/t20-,21+,22-,26-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC(=C8)Cl)O)C(=O)N(C7=O)CCCCCC(=O)O)C
InChI: InChI=1S/C40H38Cl2N4O7S/c1-19-24-15-21(42)9-13-30(24)54-35(19)28-18-31(44(3)43-28)46-37(51)27-17-25-22(34(40(27,2)39(46)53)26-16-20(41)8-12-29(26)47)10-11-23-33(25)38(52)45(36(23)50)14-6-4-5-7-32(48)49/h8-10,12-13,15-16,18,23,25,27,33-34,47H,4-7,11,14,17H2,1-3H3,(H,48,49)/t23-,25+,27-,33-,34+,40+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@](O2)(C(=O)N)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C35H28BrNO10/c36-35(34(37)42)29(46-33(41)25-19-11-4-12-20-25)28(45-32(40)24-17-9-3-10-18-24)27(44-31(39)23-15-7-2-8-16-23)26(47-35)21-43-30(38)22-13-5-1-6-14-22/h1-20,26-29H,21H2,(H2,37,42)/t26-,27-,28+,29-,35-/m1/s1
SMILES: COC(=O)[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)O)O)OC
InChI: InChI=1S/C11H20O9/c1-18-10(17)11(19-2)3-5(13)7(15)9(20-11)8(16)6(14)4-12/h5-9,12-16H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,11+/m0/s1
SMILES: CCOC(=O)C1(CCCCC1=O)CCC(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C
InChI: InChI=1S/C28H40O5/c1-5-32-26(31)28(17-10-9-13-24(28)29)18-16-25(30)33-23-19-20(2)14-15-22(23)27(3,4)21-11-7-6-8-12-21/h6-8,11-12,20,22-23H,5,9-10,13-19H2,1-4H3/t20-,22-,23-,28?/m1/s1
SMILES: C[C@]12CC[C@@H]([C@H]([C@@H]1C=C[C@H]3[C@H]2CCC(=C)C3)C(=O)OC)OCOC
InChI: InChI=1S/C20H30O4/c1-13-5-7-15-14(11-13)6-8-16-18(19(21)23-4)17(24-12-22-3)9-10-20(15,16)2/h6,8,14-18H,1,5,7,9-12H2,2-4H3/t14-,15-,16+,17+,18+,20-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)I
InChI: InChI=1S/C30H24INO6/c1-14-11-24(34)27-22(28(14)35)13-21-18(25(27)19-8-7-17(38-2)12-23(19)33)9-10-20-26(21)30(37)32(29(20)36)16-5-3-15(31)4-6-16/h3-9,11-12,20-21,25-26,33H,10,13H2,1-2H3/t20-,21+,25+,26-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=CC(=C4)C5=CC=CC(=C5)CN)C6=CC=C(C=C6)CO
InChI: InChI=1S/C39H51N3O4/c1-39(2,3)41-37(44)35-19-18-28-9-4-5-13-34(28)42(35)24-33-22-36(29-16-14-26(25-43)15-17-29)46-38(45-33)32-12-7-11-31(21-32)30-10-6-8-27(20-30)23-40/h6-8,10-12,14-17,20-21,28,33-36,38,43H,4-5,9,13,18-19,22-25,40H2,1-3H3,(H,41,44)/t28-,33+,34-,35-,36-,38-/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)N
InChI: InChI=1S/C22H18N4O6/c1-32-15-7-6-12(26(30)31)10-14(15)25-21(28)16-17(22(25)29)19(20(23)27)24-9-8-11-4-2-3-5-13(11)18(16)24/h2-10,16-19H,1H3,(H2,23,27)/t16-,17-,18-,19+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)COP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O
InChI: InChI=1S/C20H31N4O14P/c1-8(26)22-14-10(27)4-9(37-18(14)15(29)11(28)5-25)6-35-39(33,34)36-7-12-16(30)17(31)19(38-12)24-3-2-13(21)23-20(24)32/h2-4,10-12,14-19,25,27-31H,5-7H2,1H3,(H,22,26)(H,33,34)(H2,21,23,32)/t10-,11+,12+,14+,15+,16+,17+,18+,19+/m0/s1
SMILES: CC1CCC(=O)O[C@@H]2C1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C24H38O4/c1-13-4-5-20(27)28-19-12-17-21-16(7-9-24(17,3)22(13)19)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-26H,4-12H2,1-3H3/t13?,14-,15+,16-,17-,18+,19-,21+,22?,23-,24-/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@@H]2[C@H](CCC(=O)N2)[N+](=O)[O-])Br)OC)OC
InChI: InChI=1S/C14H17BrN2O6/c1-21-9-6-7(11(15)14(23-3)13(9)22-2)12-8(17(19)20)4-5-10(18)16-12/h6,8,12H,4-5H2,1-3H3,(H,16,18)/t8-,12+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl
InChI: InChI=1S/C17H17Cl2N3O5/c18-9-5-12(19)15(20-6-9)21-13(23)8-27-14(24)7-22-16(25)10-3-1-2-4-11(10)17(22)26/h5-6,10-11H,1-4,7-8H2,(H,20,21,23)/t10-,11+
SMILES: CCOC(=O)C1=NN[C@@]2([C@@H]1C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)C
InChI: InChI=1S/C22H20N4O6/c1-4-32-20(28)18-17-19(27)25(16-11-15(26(30)31)10-7-13(16)3)21(29)22(17,24-23-18)14-8-5-12(2)6-9-14/h5-11,17,24H,4H2,1-3H3/t17-,22+/m0/s1
SMILES: CC1([C@H]2C[C@H]([C@@H]([C@@H]1C2)NS(=O)(=O)C3=CC=CC=C3)CC4CO4)C
InChI: InChI=1S/C18H25NO3S/c1-18(2)13-8-12(9-14-11-22-14)17(16(18)10-13)19-23(20,21)15-6-4-3-5-7-15/h3-7,12-14,16-17,19H,8-11H2,1-2H3/t12-,13-,14?,16-,17-/m0/s1
SMILES: CC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)Cl
InChI: InChI=1S/C27H23ClN2O2S/c1-17-14-19(28)16-23-21-11-7-12-22(21)27(29-26(17)23)25-15-18-8-5-6-13-24(18)30(25)33(31,32)20-9-3-2-4-10-20/h2-11,13-16,21-22,27,29H,12H2,1H3/t21-,22+,27-/m0/s1
SMILES: CCOC(=O)COC1=CC=CC2=C1C(=O)C[C@@H]3[C@@H]2C[C@H](CN3C)C(=O)OC
InChI: InChI=1S/C20H25NO6/c1-4-26-18(23)11-27-17-7-5-6-13-14-8-12(20(24)25-3)10-21(2)15(14)9-16(22)19(13)17/h5-7,12,14-15H,4,8-11H2,1-3H3/t12-,14-,15-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C[C@H](N2C(=O)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C16H19NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-3,6-7,12-14H,4-5,8-10H2,(H,19,20)/t12-,13+,14+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2C[C@@H]3CC(=C[C@@H]3C2)C(=O)NO)OC4CCCC4
InChI: InChI=1S/C21H27NO4/c1-25-19-7-6-13(12-20(19)26-18-4-2-3-5-18)14-8-15-10-17(21(23)22-24)11-16(15)9-14/h6-7,10,12,14-16,18,24H,2-5,8-9,11H2,1H3,(H,22,23)/t14-,15+,16-/m1/s1