EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC(=O)NC2=CC(=CC(=C2)/C=C/C(=O)O)NC(=O)CCC(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C37H54N2O8/c1-22(2)29-10-7-24(5)17-31(29)46-36(44)15-12-33(40)38-27-19-26(9-14-35(42)43)20-28(21-27)39-34(41)13-16-37(45)47-32-18-25(6)8-11-30(32)23(3)4/h9,14,19-25,29-32H,7-8,10-13,15-18H2,1-6H3,(H,38,40)(H,39,41)(H,42,43)/b14-9+/t24-,25-,29+,30+,31-,32-/m1/s1
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2CCC3CN(CC3[C@H]2C4=CC=C(C=C4)F)C
InChI: InChI=1S/C25H26F7NO/c1-14(17-9-18(24(27,28)29)11-19(10-17)25(30,31)32)34-22-8-5-16-12-33(2)13-21(16)23(22)15-3-6-20(26)7-4-15/h3-4,6-7,9-11,14,16,21-23H,5,8,12-13H2,1-2H3/t14-,16?,21?,22+,23+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI: InChI=1S/C19H16ClNO3S/c1-11-8-13(11)19(23)24-10-18(22)21-14-4-2-3-5-16(14)25-17-7-6-12(20)9-15(17)21/h2-7,9,11,13H,8,10H2,1H3/t11-,13-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI: InChI=1S/C10H13N5O4.C10H13N5O3/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);3-7,16-17H,1-2H2,(H2,11,12,13)/t6-,7+,8+;5-,6+,7+/m00/s1
SMILES: C[C@@]12CCC(=O)C([C@H]1C[C@H]([C@]3([C@H]2CC(=O)[C@](O3)(C)C=C)C)O)(C)C
InChI: InChI=1S/C20H30O4/c1-7-19(5)15(22)11-13-18(4)9-8-14(21)17(2,3)12(18)10-16(23)20(13,6)24-19/h7,12-13,16,23H,1,8-11H2,2-6H3/t12-,13+,16-,18-,19+,20-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(OCCC#N)S)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H23N4O7PS2/c1-14(26)31-16-12-19(32-17(16)13-30-33(34,35)29-11-5-9-22)25-10-8-18(24-21(25)28)23-20(27)15-6-3-2-4-7-15/h2-4,6-8,10,16-17,19H,5,11-13H2,1H3,(H,34,35)(H,23,24,27,28)/t16-,17+,19+/m0/s1
SMILES: CC(C)[C@@H]1CC=C([C@@]1(C)CC/C(=C/CCl)/C)C/C=C(\C)/COC(=O)C2=CC=CC=C2
InChI: InChI=1S/C27H37ClO2/c1-20(2)25-14-13-24(27(25,5)17-15-21(3)16-18-28)12-11-22(4)19-30-26(29)23-9-7-6-8-10-23/h6-11,13,16,20,25H,12,14-15,17-19H2,1-5H3/b21-16+,22-11+/t25-,27+/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7
InChI: InChI=1S/C36H29Cl2N3O6/c1-17-14-20(15-18(2)29(17)42)28-22-12-13-23-27(24(22)16-35(37)33(45)40(3)34(46)36(28,35)38)32(44)41(31(23)43)21-10-8-19(9-11-21)30-39-25-6-4-5-7-26(25)47-30/h4-12,14-15,23-24,27-28,42H,13,16H2,1-3H3/t23-,24+,27-,28-,35+,36-/m0/s1
SMILES: C[C@]12CC[C@]3([C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O)C
InChI: InChI=1S/C19H24O2/c1-18-9-10-19(2)16(7-8-17(19)21)15(18)5-3-12-11-13(20)4-6-14(12)18/h4,6,11,15-16,20H,3,5,7-10H2,1-2H3/t15-,16-,18+,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3
InChI: InChI=1S/C19H24N2O7/c1-11-5-3-4-6-14(11)20-18(22)12(2)28-19(23)13-9-16-17(27-8-7-26-16)10-15(13)21(24)25/h9-12,14H,3-8H2,1-2H3,(H,20,22)/t11-,12+,14+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]([C@H]2CC=O)[C@]3(CC[C@@H](CC3=O)O)C)C
InChI: InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20+,21+,22-,23+,24+,26-,27-/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)C)CN4CCC[C@H]4C(=O)OC(C)(C)C
InChI: InChI=1S/C30H40N2O6/c1-19-26(17-32-16-6-7-25(32)28(35)38-30(3,4)5)36-29(23-12-14-24(15-13-23)31-20(2)34)37-27(19)22-10-8-21(18-33)9-11-22/h8-15,19,25-27,29,33H,6-7,16-18H2,1-5H3,(H,31,34)/t19-,25+,26+,27+,29+/m1/s1
SMILES: CC1(OC[C@H](O1)[C@H]2[C@H]3[C@@H](CN2)OC(O3)(C)C)C
InChI: InChI=1S/C12H21NO4/c1-11(2)14-6-8(16-11)9-10-7(5-13-9)15-12(3,4)17-10/h7-10,13H,5-6H2,1-4H3/t7-,8+,9+,10-/m1/s1
SMILES: C1COCCN1[N+]2=NOC(=C2)/N=C(\[O-])/O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C13H20N4O9/c18-6-7-9(19)10(20)11(21)12(24-7)25-13(22)14-8-5-17(15-26-8)16-1-3-23-4-2-16/h5,7,9-12,18-21H,1-4,6H2/t7-,9-,10+,11-,12+/m1/s1
SMILES: C[C@]12CCC(=O)[C@H]([C@@H]1CC[C@@H]2OC(C)(C)C)C(=O)OC
InChI: InChI=1S/C16H26O4/c1-15(2,3)20-12-7-6-10-13(14(18)19-5)11(17)8-9-16(10,12)4/h10,12-13H,6-9H2,1-5H3/t10-,12-,13-,16-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC2=CC(=O)[C@@H]3[C@H]2[C@@H]1CCCC3
InChI: InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-9-10-8-13(18)11-6-4-5-7-12(17)14(10)11/h8,11-12,14H,4-7,9H2,1-3H3/t11-,12+,14+/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@]3([C@@]2([C@@]4([NH+]=C3N)OC[C@@H](O4)C)C#N)C#N
InChI: InChI=1S/C18H18N4O3/c1-3-23-13-7-5-4-6-12(13)14-16(9-19)15(21)22-18(17(14,16)10-20)24-8-11(2)25-18/h4-7,11,14H,3,8H2,1-2H3,(H2,21,22)/p+1/t11-,14+,16+,17+,18+/m0/s1
SMILES: C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O)\C)O)OC)[C@@H]2COC(O2)(C)C)\C)\C)\C
InChI: InChI=1S/C30H46O7/c1-19-10-9-11-25(32)26(34-8)17-27(28-18-35-30(6,7)37-28)36-29(33)23(5)16-21(3)14-20(2)15-22(4)24(31)13-12-19/h10,12-16,22,24-28,31-32H,9,11,17-18H2,1-8H3/b13-12+,19-10+,20-15+,21-14+,23-16+/t22-,24-,25+,26+,27+,28+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C46H50ClN3O7S/c1-31-11-21-40(22-12-31)58(54,55)49-41(27-33-7-4-3-5-8-33)44(52)48-39-10-6-9-36(28-39)45-56-42(32(2)43(57-45)35-15-13-34(30-51)14-16-35)29-50-25-23-46(53,24-26-50)37-17-19-38(47)20-18-37/h3-22,28,32,41-43,45,49,51,53H,23-27,29-30H2,1-2H3,(H,48,52)/t32-,41+,42+,43+,45?/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OC(=O)C(C)(C)C)OCCCC=C)COCC4=CC=CC=C4)COCC5=CC=CC=C5)O)OCC6=CC=CC=C6
InChI: InChI=1S/C55H70O13/c1-8-9-22-31-61-50-49(68-53(58)55(5,6)7)47(63-35-41-29-20-13-21-30-41)45(43(65-50)37-60-33-39-25-16-11-17-26-39)66-51-48(67-52(57)54(2,3)4)46(62-34-40-27-18-12-19-28-40)44(56)42(64-51)36-59-32-38-23-14-10-15-24-38/h8,10-21,23-30,42-51,56H,1,9,22,31-37H2,2-7H3/t42-,43-,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1
SMILES: CC(=O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C
InChI: InChI=1S/C14H15ClN4O5/c1-7(20)22-4-9-3-10(23-8(2)21)14(24-9)19-6-18-11-12(15)16-5-17-13(11)19/h5-6,9-10,14H,3-4H2,1-2H3/t9-,10+,14+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)COC(=O)C)O)O)C
InChI: InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)C[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H26O10/c1-22-14-5(9(17)11(19)8(4-16)24-14)2-6-10(18)13(21)12(20)7(3-15)23-6/h5-21H,2-4H2,1H3/t5-,6+,7-,8-,9-,10+,11-,12-,13-,14+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]([C@@H]1OC(=O)C)OCCCC=C
InChI: InChI=1S/C22H28O8/c1-4-5-9-12-25-22-20(28-15(3)24)19(27-14(2)23)18-17(29-22)13-26-21(30-18)16-10-7-6-8-11-16/h4,6-8,10-11,17-22H,1,5,9,12-13H2,2-3H3/t17-,18-,19+,20-,21-,22-/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)O[C@H]1C2=CC(=C(C(=C2C3=CC4=C(C=C3)OCO4)OC)OC)OC)C
InChI: InChI=1S/C22H24O7/c1-11-12(2)22(23)29-19(11)14-9-17(24-3)20(25-4)21(26-5)18(14)13-6-7-15-16(8-13)28-10-27-15/h6-9,11-12,19H,10H2,1-5H3/t11-,12+,19-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI: InChI=1S/C14H13ClF3NO3/c1-7-4-9(7)13(21)22-6-12(20)19-8-2-3-11(15)10(5-8)14(16,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,19,20)/t7-,9+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CSCC(=O)NC2=NOC(=C2)C
InChI: InChI=1S/C17H25N3O5S/c1-11-5-3-4-6-13(11)18-15(21)8-24-17(23)10-26-9-16(22)19-14-7-12(2)25-20-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,18,21)(H,19,20,22)/t11-,13+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O
InChI: InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CCOC4(C)C)C)O)C
InChI: InChI=1S/C28H48O2/c1-18(2)9-8-10-19(3)20-11-12-21-25-22(13-14-27(20,21)6)28(7)15-16-30-26(4,5)24(28)17-23(25)29/h17-23,25,29H,8-16H2,1-7H3/t19-,20-,21+,22+,23+,25+,27-,28-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)OCC3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)OC(O1)C5=CC=CC=C5
InChI: InChI=1S/C27H26O7/c28-22-24(33-25(29)19-12-6-2-7-13-19)23-21(17-31-26(34-23)20-14-8-3-9-15-20)32-27(22)30-16-18-10-4-1-5-11-18/h1-15,21-24,26-28H,16-17H2/t21-,22+,23+,24-,26?,27-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@H]3[C@@H]2CC[C@]([C@@H]3O)(C=C)O)(C)C
InChI: InChI=1S/C19H32O2/c1-5-19(21)12-9-14-13(16(19)20)7-8-15-17(2,3)10-6-11-18(14,15)4/h5,13-16,20-21H,1,6-12H2,2-4H3/t13-,14-,15-,16+,18+,19-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CC3=C(C(=C(C(=C3F)F)F)F)F)CO)O
InChI: InChI=1S/C17H11F5N2O5/c18-11-7(12(19)14(21)15(22)13(11)20)2-1-6-4-24(17(28)23-16(6)27)10-3-8(26)9(5-25)29-10/h4,8-10,25-26H,3,5H2,(H,23,27,28)/t8-,9+,10+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C8=NSC(=N8)N)SC3)C(=O)O)/C2=O
InChI: InChI=1S/C44H44N8O8S2/c1-43(2,3)59-42(58)50-21-20-31(24-50)51-22-19-26(37(51)54)23-27-25-61-39-33(38(55)52(39)34(27)40(56)57)46-36(53)32(35-47-41(45)62-49-35)48-60-44(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-18,23,31,33,39H,19-22,24-25H2,1-3H3,(H,46,53)(H,56,57)(H2,45,47,49)/b26-23+,48-32-/t31-,33-,39-/m1/s1
SMILES: CCN(CCC1=CC=CC=C1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)C
InChI: InChI=1S/C37H43N3O7/c1-6-40(23-22-26-16-10-7-11-17-26)34(42)33-31(38-25(2)41)29(39-36(44)47-37(3,4)5)24-30(45-33)35(43)46-32(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,31-33H,6,22-23H2,1-5H3,(H,38,41)(H,39,44)/t29-,31+,33+/m0/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@H]1[C@@H]3[C@@H](CC[C@@]2(C)O)[C@@H](C(=O)O3)C)O
InChI: InChI=1S/C15H24O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h7-13,16,18H,4-6H2,1-3H3/t7-,8+,9-,10+,11-,12-,13-,15+/m0/s1
SMILES: CCOC1=CC=C(C=C1)N(CC(=O)N[C@@H]2CCCC[C@H]2O)S(=O)(=O)C
InChI: InChI=1S/C17H26N2O5S/c1-3-24-14-10-8-13(9-11-14)19(25(2,22)23)12-17(21)18-15-6-4-5-7-16(15)20/h8-11,15-16,20H,3-7,12H2,1-2H3,(H,18,21)/t15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)N(C4=O)C
InChI: InChI=1S/C17H16N2O3/c1-9-3-5-10(6-4-9)19-16(21)13-11-7-8-12(14(13)17(19)22)18(2)15(11)20/h3-8,11-14H,1-2H3/t11-,12+,13+,14-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C=C(C(=O)CC2=O)[123I])CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C16H22INO10/c17-6-3-18(11(22)1-7(6)20)12-2-8(21)10(27-12)5-26-16-15(25)14(24)13(23)9(4-19)28-16/h3,8-10,12-16,19,21,23-25H,1-2,4-5H2/t8-,9-,10-,12-,13-,14+,15-,16-/m1/s1/i17-4
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F
InChI: InChI=1S/C25H29ClF3N3O3/c1-32-13-16-10-18(31-23(33)30-17-5-6-20(26)19(12-17)25(27,28)29)8-9-24(16,14-32)15-4-7-21(34-2)22(11-15)35-3/h4-7,11-12,16,18H,8-10,13-14H2,1-3H3,(H2,30,31,33)/t16-,18-,24+/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O)Cl)N
InChI: InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6+,9+/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN(C)CC=C
InChI: InChI=1S/C39H45N3O6S/c1-5-22-42(4)25-36-28(3)37(31-18-16-30(26-43)17-19-31)48-39(47-36)32-12-9-13-33(24-32)40-38(44)35(23-29-10-7-6-8-11-29)41-49(45,46)34-20-14-27(2)15-21-34/h5-21,24,28,35-37,39,41,43H,1,22-23,25-26H2,2-4H3,(H,40,44)/t28-,35-,36+,37+,39+/m1/s1
SMILES: C[C@@H](C#C[C@@]12[C@@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C54H50O13/c1-35(61-47(56)37-22-12-6-13-23-37)30-31-54-52(2,3)32-41(33-53(54,4)67-54)62-51-45(66-50(59)40-28-18-9-19-29-40)44(65-49(58)39-26-16-8-17-27-39)43(64-48(57)38-24-14-7-15-25-38)42(63-51)34-60-46(55)36-20-10-5-11-21-36/h5-29,35,41-45,51H,32-34H2,1-4H3/t35-,41-,42+,43+,44-,45+,51+,53-,54+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@]1(C[C@H]3[C@@H]2CC(C3)(C)C)C)O
InChI: InChI=1S/C15H26O/c1-13(2)7-10-8-15(4)12(16)5-6-14(15,3)11(10)9-13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m0/s1
SMILES: C[C@H](CCCC(C)C)[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)OC(=O)CC(=O)O)C)NCCN)C
InChI: InChI=1S/C32H56N2O4/c1-20(2)7-6-8-21(3)24-9-10-25-23-18-28(34-16-15-33)27-17-22(38-30(37)19-29(35)36)11-13-32(27,5)26(23)12-14-31(24,25)4/h20-28,34H,6-19,33H2,1-5H3,(H,35,36)/t21-,22+,23+,24-,25+,26+,27-,28+,31-,32-/m1/s1
SMILES: CCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC(=C3)C
InChI: InChI=1S/C15H18N2O3S2/c1-3-14(18)16-15-17(11-6-4-5-10(2)7-11)12-8-22(19,20)9-13(12)21-15/h4-7,12-13H,3,8-9H2,1-2H3/t12-,13-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C24H18N2O6/c27-18-12-8-14(9-13-18)20-19-21(32-26(20)17-4-2-1-3-5-17)23(29)25(22(19)28)16-10-6-15(7-11-16)24(30)31/h1-13,19-21,27H,(H,30,31)/t19-,20+,21+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)C4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C24H30N2O5S/c1-16-4-9-20(10-5-16)32(28,29)26(22-14-19(30-2)8-11-23(22)31-3)15-24(27)25-21-13-17-6-7-18(21)12-17/h4-5,8-11,14,17-18,21H,6-7,12-13,15H2,1-3H3,(H,25,27)/t17-,18-,21-/m0/s1
SMILES: C1=CC=C2C(=C1)[C@H]([C@@H](C3=CC=CC=C32)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)O
InChI: InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27(11-20(29)30)23(32)18(26)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25-26H2,(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1
SMILES: CCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)(C3=C1C(=C(C(=O)C3=O)C(C)C)O)C)O
InChI: InChI=1S/C35H56O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-24(36)41-32-26-27(30(39)29(38)25(23(2)3)28(26)37)35(6)22-19-21-34(4,5)33(35)31(32)40/h23,31-33,37,40H,7-22H2,1-6H3/t31-,32+,33+,35-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C3=C(CN2C1)[C@@H]4C[C@H]5[C@H]([C@@H]4CC3)C[C@H]([C@@H]6[C@@]5(CC[C@H](C6)O)C)O)C
InChI: InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-17,19-21,23-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,19-,20-,21+,23+,24-,25+,26-,27-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI: InChI=1S/C16H14F3NO3/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(22)23/h1-5,7-9,12-13H,6H2,(H,20,21)(H,22,23)/t8-,9+,12+,13-/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)[O-])C
InChI: InChI=1S/C20H26N2O6S/c1-13-11-17(18(20(24)25)12-14(13)2)19(23)21-15-3-5-16(6-4-15)29(26,27)22-7-9-28-10-8-22/h3-6,17-18H,7-12H2,1-2H3,(H,21,23)(H,24,25)/p-1/t17-,18-/m0/s1
SMILES: C1[C@@H]([C@H](CS1)OC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16BrNO3S/c19-14-8-6-13(7-9-14)18(22)23-16-11-24-10-15(16)20-17(21)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,20,21)/t15-,16-/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H]([C@H]([C@@H](O6)OCC)CCCO)C7=CN(C8=CC=CC=C87)C(=O)C)OC)OC)OC)OC
InChI: InChI=1S/C50H63N3O9/c1-8-31-28-51-18-16-32-23-44(57-4)46(59-6)25-37(32)42(51)21-34(31)22-43-38-26-47(60-7)45(58-5)24-33(38)17-19-52(43)49(56)48-27-39(36(14-12-20-54)50(62-48)61-9-2)40-29-53(30(3)55)41-15-11-10-13-35(40)41/h10-11,13,15,23-27,29,31,34,36,39,42-43,50,54H,8-9,12,14,16-22,28H2,1-7H3/t31-,34+,36+,39-,42-,43+,50+/m0/s1
SMILES: CCC(=O)O[C@H]1COC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C21H32O5/c1-4-17(24)26-16-11-25-19-18-14(6-8-21(16,19)3)20(2)7-5-13(22)9-12(20)10-15(18)23/h10,13-16,18-19,22-23H,4-9,11H2,1-3H3/t13-,14?,15-,16-,18?,19?,20-,21+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H34O16/c1-9-17(34-11(3)26)19(36-13(5)28)22(38-15(7)30)24(33-9)40-21-20(37-14(6)29)18(35-12(4)27)16(39-23(21)31)8-32-10(2)25/h9,16-24,31H,8H2,1-7H3/t9-,16+,17+,18-,19+,20-,21+,22-,23?,24-/m0/s1
SMILES: C1[C@H](O[C@H]([C@@H]([C@H]1O)OCC2=CC=CC=C2)N3C4=C(C=C(C=C4)F)C5=C6C(=C7C8=C(C=CC(=C8)F)NC7=C53)C(=O)NC6=O)CO
InChI: InChI=1S/C33H25F2N3O6/c34-16-6-8-21-19(10-16)24-26-27(32(42)37-31(26)41)25-20-11-17(35)7-9-22(20)38(29(25)28(24)36-21)33-30(23(40)12-18(13-39)44-33)43-14-15-4-2-1-3-5-15/h1-11,18,23,30,33,36,39-40H,12-14H2,(H,37,41,42)/t18-,23-,30+,33+/m0/s1
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C\[C@@H]([C@H](CC1)C(=C)C)O)/COC(=O)C)C
InChI: InChI=1S/C22H34O4/c1-15(2)19-10-8-16(3)7-6-12-22(5)21(26-22)11-9-18(13-20(19)24)14-25-17(4)23/h7,13,19-21,24H,1,6,8-12,14H2,2-5H3/b16-7+,18-13+/t19-,20+,21+,22+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC=C4N
InChI: InChI=1S/C18H25NO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10,19H2,1H3/t12-,13-,15+,17+,18+/m1/s1
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=C(C(=CC=C7)F)O)C(=O)N(C5=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C47H41FN6O5/c1-27-12-14-31(15-13-27)51-54-44(57)38-26-37-34(41(36-10-7-11-39(48)42(36)55)47(38,46(54)59)28-8-5-4-6-9-28)24-25-35-40(37)45(58)53(43(35)56)33-22-18-30(19-23-33)50-49-29-16-20-32(21-17-29)52(2)3/h4-24,35,37-38,40-41,51,55H,25-26H2,1-3H3/t35-,37+,38-,40-,41+,47+/m0/s1
SMILES: C[C@H]1CCC/C=C(/C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)SC)/C)\C
InChI: InChI=1S/C27H41NO5S2/c1-16-10-8-9-11-17(2)24(31)19(4)25(32)27(5,6)22(29)14-23(30)33-21(12-16)18(3)13-20-15-35-26(28-20)34-7/h10,13,15,17,19,21-22,24,29,31H,8-9,11-12,14H2,1-7H3/b16-10+,18-13+/t17-,19+,21-,22-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H25N5OS/c1-14-6-8-17(9-7-14)24-19(20-21-22-24)26-13-18(25)23-11-10-15-4-2-3-5-16(15)12-23/h6-9,15-16H,2-5,10-13H2,1H3/t15-,16+/m0/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)NC(=O)O
InChI: InChI=1S/C9H14N4O6/c10-6-7(12-9(17)18)11-2-13(6)8-5(16)4(15)3(1-14)19-8/h2-5,8,12,14-16H,1,10H2,(H,17,18)/t3-,4-,5-,8-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C)[C@@]([NH2+]2)(CCSC)C(=O)OC
InChI: InChI=1S/C19H24N2O4S/c1-11-5-7-12(8-6-11)15-13-14(17(23)21(2)16(13)22)19(20-15,9-10-26-4)18(24)25-3/h5-8,13-15,20H,9-10H2,1-4H3/p+1/t13-,14+,15+,19+/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]\4([C@@H]([C@@H]3CC=C2C1)CC/C4=N/O)C)C
InChI: InChI=1S/C21H31NO3/c1-13(23)25-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22-24)21(17,3)11-9-18(16)20/h4,15-18,24H,5-12H2,1-3H3/b22-19-/t15-,16+,17-,18-,20+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([NH+]4[C@@H]3C5=CC=CC=C5C=C4)C(=O)N
InChI: InChI=1S/C22H19N3O3/c1-12-6-8-14(9-7-12)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-13-4-2-3-5-15(13)18(16)24/h2-11,16-19H,1H3,(H2,23,26)/p+1/t16-,17+,18-,19-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5Cl
InChI: InChI=1S/C22H18ClN/c23-19-11-4-3-8-18(19)22-17-10-5-9-16(17)21-15-7-2-1-6-14(15)12-13-20(21)24-22/h1-9,11-13,16-17,22,24H,10H2/t16-,17+,22+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2C3=CC=C(C=C3)OC)C#C[Si](C)(C)C
InChI: InChI=1S/C21H25NO3SSi/c1-16-6-12-19(13-7-16)26(23,24)22-20(14-15-27(3,4)5)21(22)17-8-10-18(25-2)11-9-17/h6-13,20-21H,1-5H3/t20-,21+,22?/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H]3CCCC[C@]3(CCN2CC4=CC=CC=C4F)O
InChI: InChI=1S/C24H30FNO2/c1-2-28-22-13-6-4-10-19(22)23-20-11-7-8-14-24(20,27)15-16-26(23)17-18-9-3-5-12-21(18)25/h3-6,9-10,12-13,20,23,27H,2,7-8,11,14-17H2,1H3/t20-,23-,24-/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(=C4)CNC(=O)[C@H](C)OC(=O)C)CSC5=C(C=CC=N5)C(=O)O
InChI: InChI=1S/C37H38N2O8S/c1-22-32(21-48-35-31(36(43)44)8-5-17-38-35)46-37(47-33(22)28-11-9-25(20-40)10-12-28)29-15-13-27(14-16-29)30-7-4-6-26(18-30)19-39-34(42)23(2)45-24(3)41/h4-18,22-23,32-33,37,40H,19-21H2,1-3H3,(H,39,42)(H,43,44)/t22-,23-,32+,33+,37+/m0/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C6(CCC6)C7=CC=C(C=C7)NC(=O)COC)\C)C
InChI: InChI=1S/C46H61NO11/c1-7-37-27(2)18-21-45(58-37)24-35-23-34(57-45)17-12-29(4)40(56-43(51)44(19-9-20-44)31-13-15-33(16-14-31)47-38(48)26-53-6)28(3)10-8-11-32-25-54-41-39(49)30(5)22-36(42(50)55-35)46(32,41)52/h8,10-16,22,27-28,34-37,39-41,49,52H,7,9,17-21,23-26H2,1-6H3,(H,47,48)/b10-8+,29-12+,32-11+/t27-,28-,34+,35-,36-,37+,39+,40+,41+,45+,46+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)C=N[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2O)CO)O)O
InChI: InChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/t11-,12-,13+,14-,15-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI: InChI=1S/C39H47N4O7PS/c1-27(2)43(28(3)4)51(47-23-13-22-40)50-34-24-36(42-25-29(5)37(44)41-38(42)45)49-35(34)26-48-52-39(30-14-9-7-10-15-30,31-16-11-8-12-17-31)32-18-20-33(46-6)21-19-32/h7-12,14-21,25,27-28,34-36H,13,23-24,26H2,1-6H3,(H,41,44,45)/t34-,35+,36+,51?/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)C([C@@H]3[C@@H](C2OC(=O)[C@H]4CCCN4C(=O)OCC(Cl)(Cl)Cl)OC(O3)(C)C)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C
InChI: InChI=1S/C36H46Cl3NO9Si/c1-33(2,3)50(22-15-10-8-11-16-22,23-17-12-9-13-18-23)49-30-28-26(45-34(4,5)47-28)25(27-29(30)48-35(6,7)46-27)44-31(41)24-19-14-20-40(24)32(42)43-21-36(37,38)39/h8-13,15-18,24-30H,14,19-21H2,1-7H3/t24-,25?,26-,27+,28+,29+,30?/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H](C1=O)C4=CC=CC=C24)C(=O)N(C3=O)C5=CN=CC=C5
InChI: InChI=1S/C19H14N2O3/c22-14-8-13-11-5-1-2-6-12(11)15(14)17-16(13)18(23)21(19(17)24)10-4-3-7-20-9-10/h1-7,9,13,15-17H,8H2/t13-,15-,16+,17+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@]12CC[C@H]([C@@H]1[O+]2[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C27H59O3Si3.CHF3O3S/c1-19(2)32(20(3)4,21(5)6)28-18-27-17-16-25(26(27)30(27)31(13,14)15)29-33(22(7)8,23(9)10)24(11)12;2-1(3,4)8(5,6)7/h19-26H,16-18H2,1-15H3;(H,5,6,7)/q+1;/p-1/t25-,26+,27+;/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=C(C=C8)O)Cl)C(=O)N(C7=O)C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)C
InChI: InChI=1S/C42H30Cl2F6N4O5S/c1-17-26-13-20(43)4-9-31(26)60-35(17)30-16-32(52(3)51-30)54-37(57)28-15-27-23(34(40(28,2)39(54)59)24-6-5-22(55)14-29(24)44)7-8-25-33(27)38(58)53(36(25)56)21-11-18(41(45,46)47)10-19(12-21)42(48,49)50/h4-7,9-14,16,25,27-28,33-34,55H,8,15H2,1-3H3/t25-,27+,28-,33-,34+,40+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)O)C
InChI: InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1
SMILES: B1(C2CCCC(O1)CCC2)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C
InChI: InChI=1S/C18H31BO/c1-12-16-10-13(18(16,2)3)11-17(12)19-14-6-4-8-15(20-19)9-5-7-14/h12-17H,4-11H2,1-3H3/t12-,13+,14?,15?,16-,17-/m1/s1
SMILES: CCCCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2C1(C[C@@H](C3C2C[C@@H](C4=CC(=O)C=CC34C)F)O)C)C)O
InChI: InChI=1S/C28H39FO6/c1-5-6-7-8-24(33)35-15-23(32)28(34)16(2)11-19-18-13-21(29)20-12-17(30)9-10-26(20,3)25(18)22(31)14-27(19,28)4/h9-10,12,16,18-19,21-22,25,31,34H,5-8,11,13-15H2,1-4H3/t16-,18?,19+,21+,22+,25?,26?,27?,28+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@]1(N(C(=O)O2)CCC(=O)N)C)C
InChI: InChI=1S/C14H22N2O3/c1-9(2)10-5-7-13(3)14(10,4)16(12(18)19-13)8-6-11(15)17/h10H,1,5-8H2,2-4H3,(H2,15,17)/t10-,13+,14+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2[C@@H]1[C@H]3[C@@H](C=C2)OC(O3)(C)C
InChI: InChI=1S/C13H18O4/c1-4-15-12(14)10-7-5-6-8-11(9(7)10)17-13(2,3)16-8/h5-11H,4H2,1-3H3/t7-,8-,9+,10-,11-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH2+]CCC5=CNC6=CC=CC=C65)C
InChI: InChI=1S/C25H32N2O3/c1-15-6-5-10-24(2)12-20-21(22-25(15,24)30-22)18(23(28)29-20)14-26-11-9-16-13-27-19-8-4-3-7-17(16)19/h3-4,7-8,13,15,18,20-22,26-27H,5-6,9-12,14H2,1-2H3/p+1/t15-,18+,20+,21+,22-,24+,25-/m0/s1