EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(O7)CO)C(=O)N(C5=O)C8=CC(=CC=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H32N4O8/c1-21-10-12-23(13-11-21)39-41-35(45)30-19-29-27(15-16-28-32(29)36(46)40(34(28)44)24-8-5-9-25(18-24)42(48)49)33(31-17-14-26(20-43)50-31)38(30,37(41)47)22-6-3-2-4-7-22/h2-15,17-18,28-30,32-33,39,43H,16,19-20H2,1H3/t28-,29+,30-,32-,33+,38+/m0/s1
SMILES: C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI: InChI=1S/C19H16O11/c20-7-2-1-3-8-10(7)11(21)6-4-5-9(12(22)16(6)28-8)29-19-15(25)13(23)14(24)17(30-19)18(26)27/h1-5,13-15,17,19-20,22-25H,(H,26,27)/t13-,14-,15+,17-,19+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H](CC3SCCCS3)OC)OC)C
InChI: InChI=1S/C15H26O5S2/c1-15(2)19-12-11(18-14(17-4)13(12)20-15)9(16-3)8-10-21-6-5-7-22-10/h9-14H,5-8H2,1-4H3/t9-,11-,12+,13+,14+/m1/s1
SMILES: C1=CC(=CC=C1CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-18(9-4-14-1-6-16(27)7-2-14)12-17(28)8-3-15-5-10-19(29)20(30)11-15/h1-2,5-7,10-11,17-18,21-33H,3-4,8-9,12-13H2/t17-,18-,21-,22-,23+,24-,25-/m1/s1
SMILES: CCOC1=CC=CC=C1C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C22H32N2O5/c1-5-28-19-12-7-6-10-17(19)22(27)23-13-20(25)29-16(4)21(26)24-18-11-8-9-14(2)15(18)3/h6-7,10,12,14-16,18H,5,8-9,11,13H2,1-4H3,(H,23,27)(H,24,26)/t14-,15-,16+,18-/m0/s1
SMILES: CCN(CC)C(=O)O[C@]1([C@@H]2C=C[C@H](C1(F)F)O2)C(=O)OCC
InChI: InChI=1S/C14H19F2NO5/c1-4-17(5-2)12(19)22-13(11(18)20-6-3)9-7-8-10(21-9)14(13,15)16/h7-10H,4-6H2,1-3H3/t9-,10+,13+/m0/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)NC(=O)C)N[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
InChI: InChI=1S/C15H21N3O6/c1-7(19)16-9-3-4-10(17-8(2)20)11(5-9)18-15-14(23)13(22)12(21)6-24-15/h3-5,12-15,18,21-23H,6H2,1-2H3,(H,16,19)(H,17,20)/t12-,13+,14-,15+/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(OC([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C3=CSC(=N3)C)CCC(=C)[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O
InChI: InChI=1S/C38H49NO12S/c1-8-21(2)18-22(3)14-15-29(41)49-33-31(42)36(17-16-23(4)30(48-26(7)40)24(5)19-27-12-10-9-11-13-27)50-32(28-20-52-25(6)39-28)37(47,34(43)44)38(33,51-36)35(45)46/h9-15,20-22,24,30-33,42,47H,4,8,16-19H2,1-3,5-7H3,(H,43,44)(H,45,46)/b15-14+/t21-,22+,24+,30+,31+,32?,33+,36-,37+,38-/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4(C3CC[C@]12C)C
InChI: InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26?,27-,28+/m0/s1
SMILES: CCOC(=O)[C@@]1(C[C@H](C[C@@H]1C(=O)OC)C(=O)OC)C([Se]C2=CC=CC=C2)[Se]C3=CC=CC=C3
InChI: InChI=1S/C25H28O6Se2/c1-4-31-23(28)25(16-17(21(26)29-2)15-20(25)22(27)30-3)24(32-18-11-7-5-8-12-18)33-19-13-9-6-10-14-19/h5-14,17,20,24H,4,15-16H2,1-3H3/t17-,20+,25-/m0/s1
SMILES: CCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O
InChI: InChI=1S/C32H59N5O6S/c1-9-10-15-33-29(40)21(6)34-30(41)24-13-11-12-23(24)28(39)26(17-19(2)3)37-31(42)25(14-16-44-8)36-32(43)27(18-20(4)5)35-22(7)38/h19-21,23-28,39H,9-18H2,1-8H3,(H,33,40)(H,34,41)(H,35,38)(H,36,43)(H,37,42)/t21-,23+,24+,25-,26-,27-,28-/m0/s1
SMILES: CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)OC)S[C@H]([C@H](C1=O)O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C27H30N2O5S/c1-28(2)15-16-29-23-14-13-22(34-21-11-9-20(33-4)10-12-21)17-24(23)35-26(25(30)27(29)31)18-5-7-19(32-3)8-6-18/h5-14,17,25-26,30H,15-16H2,1-4H3/t25-,26+/m1/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(=O)OCC2=CC=CC=C2)Cl)OC(=O)C
InChI: InChI=1S/C26H32ClNO12/c1-14(29)28-22-20(37-16(3)31)11-26(27,25(34)36-12-19-9-7-6-8-10-19)40-24(22)23(39-18(5)33)21(38-17(4)32)13-35-15(2)30/h6-10,20-24H,11-13H2,1-5H3,(H,28,29)/t20-,21+,22+,23+,24+,26-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21NO6/c1-25-13-8-6-12(7-9-13)16(21)11-26-17(22)10-20-18(23)14-4-2-3-5-15(14)19(20)24/h6-9,14-15H,2-5,10-11H2,1H3/t14-,15-/m0/s1
SMILES: CC1([C@H]2C[C@@H]1[C@@H]([C@H](C2)[Si](C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CCC3=CC=CC=C3)C
InChI: InChI=1S/C21H29F6NO4S2Si/c1-19(2)15-12-17(19)16(11-10-14-8-6-5-7-9-14)18(13-15)35(3,4)28(33(29,30)20(22,23)24)34(31,32)21(25,26)27/h5-9,15-18H,10-13H2,1-4H3/t15-,16-,17+,18-/m0/s1
SMILES: CC1C[C@@]([C@@](C1)(C)[N+](=O)[O-])(C)[N+](=O)[O-]
InChI: InChI=1S/C8H14N2O4/c1-6-4-7(2,9(11)12)8(3,5-6)10(13)14/h6H,4-5H2,1-3H3/t6?,7-,8+
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N[C@@H](CC2=CC=CC=C2)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CNCC[C@H]4N
InChI: InChI=1S/C45H66N8O9/c46-20-9-14-31(49-39(54)26-34(23-30-12-5-2-6-13-30)52-45(62)36-28-48-21-19-37(36)47)24-41(56)53-38-16-8-7-15-35(38)44(61)51-33(22-29-10-3-1-4-11-29)25-40(55)50-32(27-43(59)60)17-18-42(57)58/h1-6,10-13,31-38,48H,7-9,14-28,46-47H2,(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,56)(H,57,58)(H,59,60)/t31-,32-,33-,34-,35+,36+,37+,38+/m0/s1
SMILES: C/C/1=C\[C@H](C[C@@]2([C@H](O2)[C@@H]3C(=C(C(=O)O3)COC(=O)C)[C@@H](C1)OC(=O)[C@]4(CO4)C)C)OC(=O)C
InChI: InChI=1S/C23H28O10/c1-11-6-14(30-13(3)25)8-22(4)19(33-22)18-17(15(20(26)32-18)9-28-12(2)24)16(7-11)31-21(27)23(5)10-29-23/h6,14,16,18-19H,7-10H2,1-5H3/b11-6+/t14-,16-,18+,19-,22-,23-/m1/s1
SMILES: CC(=O)OC[C@]1([C@@H]2COC(=O)[C@@]2(C=C[C@@H]1O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H30O6Si/c1-12(19)23-11-17(5)13-10-22-15(21)18(13,9-8-14(17)20)24-25(6,7)16(2,3)4/h8-9,13-14,20H,10-11H2,1-7H3/t13-,14-,17-,18-/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C18H23NO3S/c1-2-22-18(21)15-12-4-3-5-14(12)23-17(15)19-16(20)13-9-10-6-7-11(13)8-10/h10-11,13H,2-9H2,1H3,(H,19,20)/t10-,11-,13+/m0/s1
SMILES: C[C@H](CC[C@](C)(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C
InChI: InChI=1S/C28H50O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h18-25,29-30H,7-17H2,1-6H3/t19-,20?,21?,22+,23-,24+,25+,26+,27-,28-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)OCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H16ClF3N2O5/c18-10-3-1-9(2-4-10)8-27-12-5-14(28-13(12)7-24)23-6-11(17(19,20)21)15(25)22-16(23)26/h1-4,6,12-14,24H,5,7-8H2,(H,22,25,26)/t12-,13+,14+/m0/s1
SMILES: CC(C)[C@@H]1[C@H]([NH2+][C@H](CC1=O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C16H19NO3/c1-10(2)15-12(18)9-11(13-5-3-7-19-13)17-16(15)14-6-4-8-20-14/h3-8,10-11,15-17H,9H2,1-2H3/p+1/t11-,15+,16-/m1/s1
SMILES: CCCC(=O)N(CCN1CCOCC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C25H35N3O6/c1-2-5-21(30)28(10-9-27-11-14-33-15-12-27)19-16-18(25(32)26-8-13-29)22-17-6-3-4-7-20(17)34-24(22)23(19)31/h3-4,6-7,16,19,22-24,29,31H,2,5,8-15H2,1H3,(H,26,32)/t19-,22+,23+,24+/m1/s1
SMILES: C[C@H]1[C@H](O1)[C@@H](COCOCC2=CC=CC=C2)COCOCC3=CC=C(C=C3)OC
InChI: InChI=1S/C23H30O6/c1-18-23(29-18)21(14-27-16-25-12-19-6-4-3-5-7-19)15-28-17-26-13-20-8-10-22(24-2)11-9-20/h3-11,18,21,23H,12-17H2,1-2H3/t18-,21-,23-/m0/s1
SMILES: CCO[C@@]\1(CC[C@@H](C/C1=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)O)C
InChI: InChI=1S/C29H50O2/c1-7-31-29(6)19-17-25(30)20-24(29)14-13-23-12-9-18-28(5)26(15-16-27(23)28)22(4)11-8-10-21(2)3/h13-14,21-22,25-27,30H,7-12,15-20H2,1-6H3/b23-13+,24-14-/t22-,25+,26-,27+,28-,29-/m1/s1
SMILES: C=C[C@@H](CC(=NOS(=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI: InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/t5-,6+,8+,9-,10+,11-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC=C(C=C2)C(=O)O)O)O)O
InChI: InChI=1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9+,10+,11-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)C3=CC=NC=C3)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C34H42N4O9/c1-18-14-23-28(38-33(43)22-10-12-36-13-11-22)25(39)17-24(30(23)41)37-32(42)19(2)8-7-9-26(45-5)31(47-34(35)44)21(4)16-20(3)29(40)27(15-18)46-6/h7-13,16-18,20,26-27,29,31,40H,14-15H2,1-6H3,(H2,35,44)(H,37,42)(H,38,43)/b9-7-,19-8+,21-16+/t18-,20+,26+,27+,29-,31+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H](CCC2O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4O)O
InChI: InChI=1S/C18H24O3/c1-9-6-14-12(4-5-15(14)20)13-3-2-10-7-11(19)8-16(21)18(10)17(9)13/h7-9,12-15,17,19-21H,2-6H2,1H3/t9-,12-,13-,14-,15?,17-/m0/s1
SMILES: CC1O[C@@H]([C@H](O1)[C@@H](C2=CC=CC=C2)C(C)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/C40H60O6/c1-23(2)34(26-12-10-9-11-13-26)36-35(43-25(4)44-36)24(3)28-14-15-29-27-21-40(41-18-19-42-40)33-20-31-32(46-37(5,6)45-31)22-39(33,8)30(27)16-17-38(28,29)7/h9-13,23-25,27-36H,14-22H2,1-8H3/t24-,25?,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,38+,39+/m0/s1
SMILES: COC(=O)[C@]1([C@H]2C=CC3=CC=CC=C3N2[C@@H]([C@H]1C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl)C#N
InChI: InChI=1S/C28H20ClN3O5/c1-37-27(34)28(16-30)23-15-10-17-4-2-3-5-22(17)31(23)25(26(33)19-6-11-20(29)12-7-19)24(28)18-8-13-21(14-9-18)32(35)36/h2-15,23-25H,1H3/t23-,24-,25+,28+/m1/s1
SMILES: CC1=C(C=CC(=C1)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C(C)C
InChI: InChI=1S/C21H27NO4/c1-13(2)16-9-8-15(12-14(16)3)26-19(23)10-11-22-20(24)17-6-4-5-7-18(17)21(22)25/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3/t17-,18+
SMILES: C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16-,18+,19-,20+,21-,22+,23+,25+,26-,27-,28+,29-,30?,31?,32-,33-,34+,35-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@]2([C@@H](C[C@@H]([C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)OC(=O)C)[C@H]3[C@H]1[C@]4(CC[C@@H](C[C@@H]4C(=O)[C@@H]3O)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C42H76O6Si2/c1-16-50(17-2,18-3)48-34-25-42(13)31(24-33(46-29(8)43)36(42)28(7)20-19-27(6)26(4)5)35-37(34)41(12)22-21-30(23-32(41)38(44)39(35)45)47-49(14,15)40(9,10)11/h19-20,26-28,30-37,39,45H,16-18,21-25H2,1-15H3/b20-19+/t27-,28+,30-,31-,32+,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H14Cl2N2O2/c1-10-14(17(23)11-6-3-2-4-7-11)16(22-18(24)21-10)15-12(19)8-5-9-13(15)20/h2-9,14,16H,1H2,(H2,21,22,24)/t14-,16-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N[C@@H](C)C(=O)NC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C20H32N2O/c1-12-10-14(3)19(15(4)11-12)22-20(23)17(6)21-18-9-7-8-13(2)16(18)5/h10-11,13,16-18,21H,7-9H2,1-6H3,(H,22,23)/t13-,16-,17-,18+/m0/s1
SMILES: CC(=O)O[C@@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)OCCN6CCCCC6)C)C(=O)COC
InChI: InChI=1S/C36H47NO6/c1-24(38)43-36(33(40)23-41-3)16-15-32-30-13-9-26-21-27(39)10-14-29(26)34(30)31(22-35(32,36)2)25-7-11-28(12-8-25)42-20-19-37-17-5-4-6-18-37/h7-8,11-12,21,30-32H,4-6,9-10,13-20,22-23H2,1-3H3/t30?,31-,32?,35+,36+/m1/s1
SMILES: C[C@H]1[C@H](CC2CC1C2(C)C)NC(=O)[C@@H]3[C@@H]([C@@H](ON3CC4=CC(=CC=C4)C5=CC(=CC=C5)C(=O)NCCN6CCCC6)CO)[C@H](C)O
InChI: InChI=1S/C37H52N4O5/c1-23-30-19-29(37(30,3)4)20-31(23)39-36(45)34-33(24(2)43)32(22-42)46-41(34)21-25-9-7-10-26(17-25)27-11-8-12-28(18-27)35(44)38-13-16-40-14-5-6-15-40/h7-12,17-18,23-24,29-34,42-43H,5-6,13-16,19-22H2,1-4H3,(H,38,44)(H,39,45)/t23-,24+,29?,30?,31+,32+,33-,34+/m1/s1
SMILES: CSC([C@@H]1C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)F)(SC)SC
InChI: InChI=1S/C13H19FN2O4S3/c1-21-13(22-2,23-3)7-4-10(20-9(7)6-17)16-5-8(14)11(18)15-12(16)19/h5,7,9-10,17H,4,6H2,1-3H3,(H,15,18,19)/t7-,9+,10+/m1/s1
SMILES: CC[C@@H](C1=CC=C(C=C1)Br)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H25BrN2O3/c1-2-17(13-7-9-14(21)10-8-13)22-18(24)11-12-23-19(25)15-5-3-4-6-16(15)20(23)26/h7-10,15-17H,2-6,11-12H2,1H3,(H,22,24)/t15-,16-,17-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=CC=C2
InChI: InChI=1S/C20H28N2O4/c1-13-8-7-11-17(14(13)2)22-19(24)15(3)26-18(23)12-21-20(25)16-9-5-4-6-10-16/h4-6,9-10,13-15,17H,7-8,11-12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14+,15+,17+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@]2([C@]1(C[C@@H]([C@H]2C)C3=CC=C(C=C3)OC)C)C
InChI: InChI=1S/C19H26O2/c1-12-10-17(20)19(4)13(2)16(11-18(12,19)3)14-6-8-15(21-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3/t12-,13-,16+,18+,19-/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-])O
InChI: InChI=1S/C41H30Cl2F3N5O7/c1-2-4-20-5-3-6-28(34(20)52)33-26-15-16-27-32(38(55)49(36(27)53)24-11-13-25(14-12-24)51(57)58)29(26)18-30-37(54)50(39(56)40(30,33)21-7-9-23(42)10-8-21)48-35-31(43)17-22(19-47-35)41(44,45)46/h2-3,5-15,17,19,27,29-30,32-33,52H,1,4,16,18H2,(H,47,48)/t27-,29+,30-,32-,33+,40+/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20-/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-/m1/s1
SMILES: COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6
InChI: InChI=1S/C27H20N2O6/c1-34-27(33)17-9-4-5-10-18(17)29-25(31)20-21(26(29)32)23(24(30)19-11-6-14-35-19)28-13-12-15-7-2-3-8-16(15)22(20)28/h2-14,20-23H,1H3/t20-,21+,22+,23-/m0/s1
SMILES: C/C=C/1\CS[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C30H28N2O4S/c1-2-21-19-37-29-25(31-24(33)18-20-12-6-3-7-13-20)28(34)32(29)26(21)30(35)36-27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,25-27,29H,18-19H2,1H3,(H,31,33)/b21-2+/t25-,26-,29-/m1/s1
SMILES: CCO[C@@H]1CCN(C[C@H]1NP(=O)(OCC)OCC)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C19H31N2O6P/c1-4-24-18-12-13-21(19(22)25-15-16-10-8-7-9-11-16)14-17(18)20-28(23,26-5-2)27-6-3/h7-11,17-18H,4-6,12-15H2,1-3H3,(H,20,23)/t17-,18-/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@]24C=C[C@H]5C[C@H]5[C@@]4(C1)N(C3=O)S(=O)(=O)Cl
InChI: InChI=1S/C13H14ClNO3S/c14-19(17,18)15-11(16)10-8-2-1-4-13(15)9-6-7(9)3-5-12(8,10)13/h3,5,7-10H,1-2,4,6H2/t7-,8-,9+,10-,12-,13+/m0/s1
SMILES: CC(C)([C@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CS)NC(=O)[C@H]2[C@H](CCN2)C3=CC=C(C=C3)O)S
InChI: InChI=1S/C28H36N4O6S2/c1-28(2,40)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33,39-40H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23+/m1/s1
SMILES: C[C@H]1[C@@H](C[C@H](C(=O)O1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H18O6/c1-13-16(25-18(21)14-8-4-2-5-9-14)12-17(20(23)24-13)26-19(22)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3/t13-,16+,17+/m0/s1
SMILES: CC(=O)CCC(=O)OC1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C34H36N2O10/c1-21(37)9-18-30(39)46-32-31(40)35-33(41)36(32)29-19-27(38)28(45-29)20-44-34(22-7-5-4-6-8-22,23-10-14-25(42-2)15-11-23)24-12-16-26(43-3)17-13-24/h4-8,10-17,27-29,32,38H,9,18-20H2,1-3H3,(H,35,40,41)/t27-,28+,29+,32?/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C19H18N2O4/c1-24-18(22)15-16(13-9-5-3-6-10-13)20-21(17(15)19(23)25-2)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17-/m0/s1
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O
InChI: InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7?,8-,9?,11-,12+,13?,14?,15?,17?/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C
InChI: InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI: InChI=1S/C28H54O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(29)35-21-19-33-17-18-34-20-22-36-28-27(32)26(31)25(30)23(2)37-28/h23,25-28,30-32H,3-22H2,1-2H3/t23-,25-,26+,27+,28+/m0/s1
SMILES: C[C@@H](CCCC(C)(C)OCOC)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C41H74O4Si2/c1-30(19-17-25-40(9,10)43-29-42-12)35-23-24-36-32(20-18-26-41(35,36)11)21-22-33-27-34(44-46(13,14)38(3,4)5)28-37(31(33)2)45-47(15,16)39(6,7)8/h21-23,30,34,36-37H,2,17-20,24-29H2,1,3-16H3/b32-21+,33-22-/t30-,34+,36-,37-,41+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F
InChI: InChI=1S/C19H23FN2O4/c1-13-4-2-3-5-16(13)21-19(25)22-17(23)12-26-18(24)11-8-14-6-9-15(20)10-7-14/h6-11,13,16H,2-5,12H2,1H3,(H2,21,22,23,25)/b11-8+/t13-,16+/m1/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C17H21NO3/c1-2-10-3-7-13(8-4-10)18-16(19)14-11-5-6-12(9-11)15(14)17(20)21/h3-4,7-8,11-12,14-15H,2,5-6,9H2,1H3,(H,18,19)(H,20,21)/p-1/t11-,12+,14+,15+/m1/s1
SMILES: [B-](F)(F)(F)F.CC(C)(C)[C@@H]1[C@H]([S+]1C)C(C)(C)C
InChI: InChI=1S/C11H23S.BF4/c1-10(2,3)8-9(12(8)7)11(4,5)6;2-1(3,4)5/h8-9H,1-7H3;/q+1;-1/t8-,9-;/m0./s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@H]2CC[C@]4([C@H]3C/C(=C\C5=CC=CC=C5)/C4=O)C)O
InChI: InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)8-9-21-22(25)11-13-26(2)23(21)15-18(24(26)28)14-17-6-4-3-5-7-17/h3-8,14,20-23,27H,9-13,15-16H2,1-2H3/b18-14+/t20-,21-,22+,23-,25-,26-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@H]([C@@H]1P(=O)(OC)OC)C/C=C/C2=CC=CC3=CC=CC=C32)C(=O)OC
InChI: InChI=1S/C26H34NO7P/c1-26(2,3)34-25(29)27-22(24(28)31-4)17-20(23(27)35(30,32-5)33-6)15-10-14-19-13-9-12-18-11-7-8-16-21(18)19/h7-14,16,20,22-23H,15,17H2,1-6H3/b14-10+/t20-,22+,23+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]
InChI: InChI=1S/C17H20N4O4/c18-9-13-8-14(21(24)25)10-19(17(13)23)11-16(22)20-7-3-5-12-4-1-2-6-15(12)20/h8,10,12,15H,1-7,11H2/t12-,15+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C23H23NO4/c1-14-7-10-16(11-8-14)23(27)28-20-6-4-3-5-19(20)24-21(25)17-12-9-15(2)13-18(17)22(24)26/h3-8,10-11,15,17-18H,9,12-13H2,1-2H3/t15-,17+,18+/m0/s1
SMILES: C1[C@@H]([C@H]2C[C@@]2([C@H]1OP(=O)(O)O)COP(=O)(O)O)N3C=NC4=C(N=C(N=C43)I)N
InChI: InChI=1S/C12H16IN5O8P2/c13-11-16-9(14)8-10(17-11)18(4-15-8)6-1-7(26-28(22,23)24)12(2-5(6)12)3-25-27(19,20)21/h4-7H,1-3H2,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t5-,6+,7+,12-/m1/s1
SMILES: CC[C@@H]1[C@@](C2[C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C=C/CO2)C)C)C)(C)O
InChI: InChI=1S/C33H55NO10/c1-11-24-33(8,39)29-20(4)25(35)18(2)17-32(7,41-15-13-12-14-40-29)28(21(5)26(36)22(6)30(38)43-24)44-31-27(37)23(34(9)10)16-19(3)42-31/h12-13,18-24,27-29,31,37,39H,11,14-17H2,1-10H3/b13-12+/t18-,19-,20+,21+,22-,23+,24-,27-,28-,29?,31+,32-,33-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H](C(O1)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H28N2O11/c1-15(31)36-14-22-23(37-16(2)32)24(38-17(3)33)25(39-18(4)34)28(40-22)41-30-26(19-10-6-5-7-11-19)29-21-13-9-8-12-20(21)27(30)35/h5-13,22-25,28H,14H2,1-4H3/t22-,23+,24-,25-,28?/m1/s1
SMILES: CCOC(=O)C1(CN1C(=O)O[C@@H]2[C@@H]([C@H]3CC[C@@]2(C3(C)C)C)N(C4=CC(=CC(=C4)C)C)S(=O)(=O)C5=CC=CC=C5)C(=O)C
InChI: InChI=1S/C32H40N2O7S/c1-8-40-28(36)32(22(4)35)19-33(32)29(37)41-27-26(25-14-15-31(27,7)30(25,5)6)34(23-17-20(2)16-21(3)18-23)42(38,39)24-12-10-9-11-13-24/h9-13,16-18,25-27H,8,14-15,19H2,1-7H3/t25-,26-,27-,31+,32?,33?/m1/s1
SMILES: CC(C)C(=O)NN1C(=O)[C@H]2[C@H](C1=O)C3(C4=CC=CC=C4C2C5=CC=CC=C53)C
InChI: InChI=1S/C23H22N2O3/c1-12(2)20(26)24-25-21(27)18-17-13-8-4-6-10-15(13)23(3,19(18)22(25)28)16-11-7-5-9-14(16)17/h4-12,17-19H,1-3H3,(H,24,26)/t17?,18-,19-,23?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CC(=O)N2[C@H]1CC3=C2C=CC(=C3)OCOCCOC)SC4=CC=CC=C4
InChI: InChI=1S/C29H41NO5SSi/c1-29(2,3)37(5,6)35-27-18-24(36-23-10-8-7-9-11-23)19-28(31)30-25-13-12-22(16-21(25)17-26(27)30)34-20-33-15-14-32-4/h7-13,16,24,26-27H,14-15,17-20H2,1-6H3/t24-,26+,27-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O3S/c24-21(22-20-14-16-11-12-17(20)13-16)15-23(18-7-3-1-4-8-18)27(25,26)19-9-5-2-6-10-19/h1-10,16-17,20H,11-15H2,(H,22,24)/t16-,17+,20-/m0/s1
SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C
InChI: InChI=1S/C23H30O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h9,12,17-18,20H,4-8,10-11,13H2,1-3H3/t17-,18-,20+,22-,23-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H]6[C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C(=O)O6)C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)OC
InChI: InChI=1S/C42H56N2O5/c1-24(2)26-14-19-42(36(46)44-30(35(45)48-7)22-25-23-43-29-11-9-8-10-27(25)29)21-20-39(4)28(34(26)42)12-13-31-38(3)17-16-33-41(6,37(47)49-33)32(38)15-18-40(31,39)5/h8-11,23,26,28,30-34,43H,1,12-22H2,2-7H3,(H,44,46)/t26-,28+,30-,31+,32+,33+,34+,38+,39+,40+,41-,42-/m0/s1
SMILES: C1=CC(=C(C=C1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C12H16O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC=CC=C4OC
InChI: InChI=1S/C26H24ClNO5/c1-4-32-26(30)17-9-12-19(13-10-17)28-23(20-7-5-6-8-22(20)31-3)24(25(28)29)33-21-14-11-18(27)15-16(21)2/h5-15,23-24H,4H2,1-3H3/t23-,24-/m1/s1
SMILES: CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)O)O
InChI: InChI=1S/C20H28O4/c1-10(2)11-8-12-13(21)9-14-19(3,4)15(22)6-7-20(14,5)16(12)18(24)17(11)23/h8,10,14-15,22-24H,6-7,9H2,1-5H3/t14-,15-,20-/m0/s1
SMILES: CC1([C@@H]([C@@H](C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC5=CC=CC=C5C=C4N3C)O)O)C
InChI: InChI=1S/C24H23NO5/c1-24(2)23(28)22(27)19-17(30-24)11-16(29-4)18-20(19)25(3)15-10-13-8-6-5-7-12(13)9-14(15)21(18)26/h5-11,22-23,27-28H,1-4H3/t22-,23-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H20BrCl2N3O7/c28-12-31-24(37)26(29)11-18-15(21(27(26,30)25(31)38)16-3-1-2-4-19(16)34)9-10-17-20(18)23(36)32(22(17)35)13-5-7-14(8-6-13)33(39)40/h1-9,17-18,20-21,34H,10-12H2/t17-,18+,20-,21+,26+,27-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[13C@H]3[13C@@H]([13C@H]([13C@@H]([13C@H](O3)[13CH2]O)O)O)O
InChI: InChI=1S/C17H19N3O7/c21-8-10-12(22)13(23)14(24)16(27-10)20-7-6-11(19-17(20)26)18-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,21-24H,8H2,(H,18,19,25,26)/t10-,12-,13+,14-,16-/m1/s1/i8+1,10+1,12+1,13+1,14+1,16+1
SMILES: COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=CC=C3)Br)OC
InChI: InChI=1S/C20H21BrO4/c1-23-18-7-6-14(11-19(18)24-2)8-15-12-25-20(22)17(15)10-13-4-3-5-16(21)9-13/h3-7,9,11,15,17H,8,10,12H2,1-2H3/t15-,17+/m0/s1
SMILES: CCCCC[C@@H]1CC[C@@H](C[C@H]1C)C2=CC=C(C=C2)C3=NC=C(C=C3)CC
InChI: InChI=1S/C25H35N/c1-4-6-7-8-21-10-15-24(17-19(21)3)22-11-13-23(14-12-22)25-16-9-20(5-2)18-26-25/h9,11-14,16,18-19,21,24H,4-8,10,15,17H2,1-3H3/t19-,21-,24+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H27ClN2O7/c1-34-25(30(40)37(33(34)44)18-7-3-2-4-8-18)16-24-21(28(34)22-11-10-20(38)15-26(22)35)12-13-23-27(24)31(41)36(29(23)39)19-9-5-6-17(14-19)32(42)43/h2-12,14-15,23-25,27-28,38H,13,16H2,1H3,(H,42,43)/t23-,24+,25-,27-,28+,34+/m0/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C22H22N2O5/c1-2-22(21(28)29)17-16(18(23-22)14-10-6-7-11-15(14)25)19(26)24(20(17)27)12-13-8-4-3-5-9-13/h3-11,16-18,23,25H,2,12H2,1H3,(H,28,29)/t16-,17+,18-,22-/m0/s1