EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12C=CC=C[C@@H]1N=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C19H15NO2/c1-19-10-5-4-8-15(19)20-14(9-11-19)16-17(21)12-6-2-3-7-13(12)18(16)22/h2-11,15-16H,1H3/t15-,19-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC3=NC4=C(S3)C=C(C=C4)Br
InChI: InChI=1S/C15H15BrN2OS/c16-10-3-4-12-13(7-10)20-15(17-12)18-14(19)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18,19)/t8-,9+,11-/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N4CC[C@H](C4)NC(=O)N[C@H]5CCNC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI: InChI=1S/C35H44N10O5/c1-2-37-32(48)29-27(46)28(47)33(50-29)45-20-39-26-30(38-18-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22)42-34(43-31(26)45)44-16-14-24(19-44)41-35(49)40-23-13-15-36-17-23/h3-12,20,23-25,27-29,33,36,46-47H,2,13-19H2,1H3,(H,37,48)(H,38,42,43)(H2,40,41,49)/t23-,24+,27-,28+,29-,33+/m0/s1
SMILES: CCO[C@@H]1[C@H]2[C@@H]([C@@H](C=C1C)[S@@](=O)C3=CC=C(C=C3)C)C(=O)N(C2=O)C
InChI: InChI=1S/C19H23NO4S/c1-5-24-17-12(3)10-14(15-16(17)19(22)20(4)18(15)21)25(23)13-8-6-11(2)7-9-13/h6-10,14-17H,5H2,1-4H3/t14-,15-,16-,17+,25+/m1/s1
SMILES: CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Br)Cl)F)OC
InChI: InChI=1S/C22H20BrClFN3O5/c1-29-14-5-10-13(6-15(14)33-17-8-32-20-16(30-2)7-31-21(17)20)26-9-27-22(10)28-12-4-3-11(23)18(24)19(12)25/h3-6,9,16-17,20-21H,7-8H2,1-2H3,(H,26,27,28)/t16-,17-,20+,21+/m0/s1
SMILES: B1(O[C@H]([C@@H](O1)C(=O)OC(C)C)C(=O)OC(C)C)C/C=C/[Si](C)(C)C2=CC=C(S2)C
InChI: InChI=1S/C20H31BO6SSi/c1-13(2)24-19(22)17-18(20(23)25-14(3)4)27-21(26-17)11-8-12-29(6,7)16-10-9-15(5)28-16/h8-10,12-14,17-18H,11H2,1-7H3/b12-8+/t17-,18-/m1/s1
SMILES: B1(O[C@@H]([C@@H](O1)CSC2=CC=CC=C2)CCC)C3=CC=CC=C3
InChI: InChI=1S/C18H21BO2S/c1-2-9-17-18(14-22-16-12-7-4-8-13-16)21-19(20-17)15-10-5-3-6-11-15/h3-8,10-13,17-18H,2,9,14H2,1H3/t17-,18+/m1/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=CC=C3Cl)Cl)N=O
InChI: InChI=1S/C14H10Cl2N4O5/c1-2-25-14(23)9-8-11(20(17-9)18-24)13(22)19(12(8)21)10-6(15)4-3-5-7(10)16/h3-5,8,11H,2H2,1H3/t8-,11+/m1/s1
SMILES: C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)C(=O)C(C)(C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C27H44O6Si/c1-18-17-31-25(20-11-13-21(30-8)14-12-20)32-23(18)19(2)24(29)27(6,7)22(15-16-28)33-34(9,10)26(3,4)5/h11-14,16,18-19,22-23,25H,15,17H2,1-10H3/t18-,19+,22-,23-,25-/m0/s1
SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C4(CCCCC4)C)NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C
InChI: InChI=1S/C36H60N6O7/c1-9-14-23(27(43)30(45)38-21-15-16-21)39-29(44)26-25-22(35(25,6)7)19-42(26)31(46)28(36(8)17-12-11-13-18-36)41-32(47)40-24(34(3,4)5)20-49-33(48)37-10-2/h21-26,28H,9-20H2,1-8H3,(H,37,48)(H,38,45)(H,39,44)(H2,40,41,47)/t22-,23?,24+,25-,26-,28+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@H]2[C@@H]4OC[C@H]([C@H]3OCC5=CC=CC=C5)O4
InChI: InChI=1S/C20H21NO5S/c1-13-7-9-15(10-8-13)27(22,23)21-17-18(21)20-25-12-16(26-20)19(17)24-11-14-5-3-2-4-6-14/h2-10,16-20H,11-12H2,1H3/t16-,17-,18+,19-,20-,21?/m1/s1
SMILES: CC[C@]12CCC3C(C1=CC[C@H]2OC)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI: InChI=1S/C21H29NO5S/c1-4-21-10-9-14-15(17(21)7-8-20(21)26-3)6-5-13-11-19(27-28(22,23)24)18(25-2)12-16(13)14/h7,11-12,14-15,20H,4-6,8-10H2,1-3H3,(H2,22,23,24)/t14?,15?,20-,21+/m1/s1
SMILES: CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)N=[N+]=[N-]
InChI: InChI=1S/C7H13N3O4S/c1-15-7-4(9-10-8)6(13)5(12)3(2-11)14-7/h3-7,11-13H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)CC(=O)NC3=C(C=C(C=C3)F)Cl
InChI: InChI=1S/C17H22ClFN2O/c18-15-9-14(19)5-6-16(15)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h5-6,9,12-13H,1-4,7-8,10-11H2,(H,20,22)/t12-,13-/m1/s1
SMILES: C[C@@H]1O[C@@H]2C[C@H]3C(=O)C=C4[C@@H]([C@]3(C[C@@H]2O1)C)CC[C@]5([C@]4(CC[C@@H]5[C@@]6([C@H](O[C@H](O6)C)CCC(C)(C)O)C)O)C
InChI: InChI=1S/C31H48O7/c1-17-35-23-15-21-22(32)14-20-19(28(21,5)16-24(23)36-17)8-12-29(6)25(9-13-31(20,29)34)30(7)26(37-18(2)38-30)10-11-27(3,4)33/h14,17-19,21,23-26,33-34H,8-13,15-16H2,1-7H3/t17-,18-,19+,21+,23-,24+,25+,26-,28-,29-,30-,31-/m1/s1
SMILES: COC1=C(C(=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)ON2C5=CC=CC=C5)C(=O)O)OC
InChI: InChI=1S/C26H21ClN2O7/c1-34-18-13-12-17(19(26(32)33)22(18)35-2)21-20-23(36-29(21)16-6-4-3-5-7-16)25(31)28(24(20)30)15-10-8-14(27)9-11-15/h3-13,20-21,23H,1-2H3,(H,32,33)/t20-,21-,23+/m1/s1
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)OC(=O)C5=CC=CC=C5)O)O
InChI: InChI=1S/C34H48O8/c1-30(2,39)14-13-28(42-29(38)20-9-7-6-8-10-20)33(5,40)27-12-16-34(41)22-17-24(35)23-18-25(36)26(37)19-31(23,3)21(22)11-15-32(27,34)4/h6-10,17,21,23,25-28,36-37,39-41H,11-16,18-19H2,1-5H3/t21-,23-,25+,26-,27-,28+,31+,32+,33+,34+/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.C1[C@H](C(=O)N[C@@H]1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O
InChI: InChI=1S/C24H36O5.C20H21N3O4/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19;21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3;1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t14-,15-,16-,18+,19+,20-,21-,23-;15-,16-/m00/s1
SMILES: CCC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CCC4=O)C)O
InChI: InChI=1S/C20H26O2/c1-3-12-10-16-13(11-18(12)21)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17,21H,3-9H2,1-2H3/t14-,15+,17-,20-/m0/s1
SMILES: C1CC1CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C18H22N4O3/c1-2-15(23-7-1)12-5-6-19-18(21-12)22-14-10-25-16-13(9-24-17(14)16)20-8-11-3-4-11/h1-2,5-7,11,13-14,16-17,20H,3-4,8-10H2,(H,19,21,22)/t13-,14-,16+,17+/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)CCNC(=O)[C@H]3CCCC[C@H]3C(=O)OCC(F)(F)F
InChI: InChI=1S/C21H25F3N2O3/c1-13-14(15-6-4-5-9-18(15)26-13)10-11-25-19(27)16-7-2-3-8-17(16)20(28)29-12-21(22,23)24/h4-6,9,16-17,26H,2-3,7-8,10-12H2,1H3,(H,25,27)/t16-,17+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1C[C@H](O[C@H]2[C@H]1O[C@@]3(CC[C@@H]([C@H](O[C@H]3C2)CCC(C)O)OCC=C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C46H74O7Si2/c1-13-28-48-39-26-27-46(12)43(51-40(39)25-24-35(8)47)30-41-44(52-46)42(53-54(32(2)3,33(4)5)34(6)7)29-36(50-41)31-49-55(45(9,10)11,37-20-16-14-17-21-37)38-22-18-15-19-23-38/h13-23,32-36,39-44,47H,1,24-31H2,2-12H3/t35?,36-,39-,40+,41+,42-,43-,44+,46+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6CCCCC6)Cl
InChI: InChI=1S/C29H32Cl2N2O7/c1-32-26(37)28(30)13-18-16(9-10-17-21(18)25(36)33(24(17)35)15-7-5-4-6-8-15)22(29(28,31)27(32)38)14-11-19(39-2)23(34)20(12-14)40-3/h9,11-12,15,17-18,21-22,34H,4-8,10,13H2,1-3H3/t17-,18+,21-,22-,28+,29-/m0/s1
SMILES: C1C2CC3CC1CC(C2)(C3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C17H28O6/c18-7-12-13(19)14(20)15(21)16(23-12)22-8-17-4-9-1-10(5-17)3-11(2-9)6-17/h9-16,18-21H,1-8H2/t9?,10?,11?,12-,13-,14+,15+,16+,17?/m1/s1
SMILES: CC1=CC=C(C=C1)CN2C(=O)[C@@]3(CC4=C(N=C5C=CC=CN5C4=O)N6[C@@H]3C7=CC=CC=C7CC6)C(=O)NC2=O
InChI: InChI=1S/C30H25N5O4/c1-18-9-11-19(12-10-18)17-35-28(38)30(27(37)32-29(35)39)16-22-25(31-23-8-4-5-14-33(23)26(22)36)34-15-13-20-6-2-3-7-21(20)24(30)34/h2-12,14,24H,13,15-17H2,1H3,(H,32,37,39)/t24-,30-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H30O14S4/c1-40-31-30(45-49(38,39)26-20-12-5-13-21-26)29(44-48(36,37)25-18-10-4-11-19-25)28(43-47(34,35)24-16-8-3-9-17-24)27(42-31)22-41-46(32,33)23-14-6-2-7-15-23/h2-21,27-31H,22H2,1H3/t27-,28-,29+,30-,31+/m1/s1
SMILES: C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C25H36O4/c1-6-17-8-10-21-20-9-7-18-13-19(28-15(2)26)14-23(29-16(3)27)25(18,5)22(20)11-12-24(17,21)4/h6-7,19-23H,8-14H2,1-5H3/b17-6-/t19-,20+,21+,22+,23+,24-,25+/m1/s1
SMILES: C[C@@H]1[C@@H](OC(O1)(C)C)/C=C/C=C/C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChI: InChI=1S/C11H15NO2.3CO.Fe/c1-9-10(7-5-4-6-8-12)14-11(2,3)13-9;3*1-2;/h4-7,9-10H,1-3H3;;;;/b6-4+,7-5+;;;;/t9-,10+;;;;/m1..../s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H](N1C)C2=CC(=C(C=C2)OC)OC)O)O
InChI: InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8-,12+,13-,14-/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)NC56CC7CC(C5)CC(C7)C6)CSC8=NC9=CC=CC=C9S8
InChI: InChI=1S/C44H47N3O4S2/c1-27-38(26-52-43-46-37-7-2-3-8-39(37)53-43)50-41(51-40(27)34-11-9-28(25-48)10-12-34)35-15-13-33(14-16-35)36-6-4-5-29(20-36)24-45-42(49)47-44-21-30-17-31(22-44)19-32(18-30)23-44/h2-16,20,27,30-32,38,40-41,48H,17-19,21-26H2,1H3,(H2,45,47,49)/t27-,30?,31?,32?,38+,40+,41+,44?/m1/s1
SMILES: CC1=C2CC[C@@H]3[C@@](C2=CC4=C1C=CO4)(CCC[C@@]3(C)C(=O)O)C
InChI: InChI=1S/C20H24O3/c1-12-13-5-6-17-19(2,8-4-9-20(17,3)18(21)22)15(13)11-16-14(12)7-10-23-16/h7,10-11,17H,4-6,8-9H2,1-3H3,(H,21,22)/t17-,19-,20-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CS8
InChI: InChI=1S/C37H28ClFN2O5S/c38-21-9-4-10-22(17-21)41-34(44)28-18-27-24(14-15-25-30(27)35(45)40(33(25)43)19-23-11-6-16-47-23)31(26-12-5-13-29(39)32(26)42)37(28,36(41)46)20-7-2-1-3-8-20/h1-14,16-17,25,27-28,30-31,42H,15,18-19H2/t25-,27+,28-,30-,31+,37+/m0/s1
SMILES: CC(C)(CO)C1=CC=C(C=C1)[C@H]2[C@@H](C[C@H]([C@@H]2C/C=C\CCC(=O)O)Cl)O
InChI: InChI=1S/C21H29ClO4/c1-21(2,13-23)15-10-8-14(9-11-15)20-16(17(22)12-18(20)24)6-4-3-5-7-19(25)26/h3-4,8-11,16-18,20,23-24H,5-7,12-13H2,1-2H3,(H,25,26)/b4-3-/t16-,17+,18+,20+/m0/s1
SMILES: C[C@]12[C@@H]3CCC([C@@H]1[C@H]4[C@@H]([C@@]([C@H]2[C@@H](O3)OC)(C)O)OC(O4)(C)C)(C)C
InChI: InChI=1S/C19H32O5/c1-16(2)9-8-10-18(5)12(16)11-14(24-17(3,4)23-11)19(6,20)13(18)15(21-7)22-10/h10-15,20H,8-9H2,1-7H3/t10-,11-,12-,13-,14-,15+,18-,19-/m0/s1
SMILES: C[C@H]1[C@H](C(=O)N(C1=O)C2=NC=CC(=C2)Cl)CC3=CC=C(C=C3)C
InChI: InChI=1S/C18H17ClN2O2/c1-11-3-5-13(6-4-11)9-15-12(2)17(22)21(18(15)23)16-10-14(19)7-8-20-16/h3-8,10,12,15H,9H2,1-2H3/t12-,15+/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H22N2O5/c1-13-20(16-8-4-5-9-17(16)23-13)18(25)12-29-19(26)10-11-24-21(27)14-6-2-3-7-15(14)22(24)28/h2-5,8-9,14-15,23H,6-7,10-12H2,1H3/t14-,15-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@H]2[C@@H]([C@@H]1C=C)C(=O)CC2(C)C)O
InChI: InChI=1S/C14H22O2/c1-5-9-8(2)6-10(15)13-12(9)11(16)7-14(13,3)4/h5,8-10,12-13,15H,1,6-7H2,2-4H3/t8-,9-,10-,12+,13+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N
InChI: InChI=1S/C24H22N2O4/c25-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)30-22(27)13-14-26-23(28)20-3-1-2-4-21(20)24(26)29/h5-12,20-21H,1-4,13-14H2/t20-,21+
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C18H23NO5S/c1-24-18(23)14-12-8-4-5-9-13(12)25-16(14)19-15(20)10-6-2-3-7-11(10)17(21)22/h10-11H,2-9H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11-/m1/s1
SMILES: CC[C@@]1(CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC[C@]2(C1)C)CC[C@@H]4O)C)C)O
InChI: InChI=1S/C22H38O2/c1-5-22(24)13-12-21(4)17-9-11-20(3)16(6-7-18(20)23)15(17)8-10-19(21,2)14-22/h15-18,23-24H,5-14H2,1-4H3/t15-,16+,17+,18-,19-,20+,21-,22-/m0/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC2CCCCO2)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C29H44N2O6/c1-3-5-14-30(15-6-4-2)27(32)19-31-18-23(21-10-13-25-26(17-21)37-20-36-25)28(29(33)34)24(31)12-11-22-9-7-8-16-35-22/h10,13,17,22-24,28H,3-9,11-12,14-16,18-20H2,1-2H3,(H,33,34)/t22?,23-,24+,28-/m1/s1
SMILES: CC(=O)C1=CC2=CC=C3C=CC=C4[C@]3([C@@]2(C(=C1)C5=C4C6=CC=CC7=C6C5=CC=C7)C)C
InChI: InChI=1S/C30H22O/c1-17(31)19-15-21-14-13-20-9-6-12-24-27-22-10-4-7-18-8-5-11-23(26(18)22)28(27)25(16-19)30(21,3)29(20,24)2/h4-16H,1-3H3/t29-,30-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)CC(=O)OCC3=CC=CC=C3)C(=O)OCOC)C
InChI: InChI=1S/C19H24N2O8S2/c1-19(2)15(18(24)29-11-27-3)21-16(23)14(17(21)30-19)20-31(25,26)10-13(22)28-9-12-7-5-4-6-8-12/h4-8,14-15,17,20H,9-11H2,1-3H3/t14-,15+,17-/m1/s1
SMILES: CC1=C([C@H](NC(=O)N1)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C47H48N2O8/c1-33-40(46(50)56-31-38-25-15-6-16-26-38)41(49-47(51)48-33)43-45(55-30-37-23-13-5-14-24-37)44(54-29-36-21-11-4-12-22-36)42(53-28-35-19-9-3-10-20-35)39(57-43)32-52-27-34-17-7-2-8-18-34/h2-26,39,41-45H,27-32H2,1H3,(H2,48,49,51)/t39-,41+,42+,43+,44+,45+/m1/s1
SMILES: C1=CC(=C(C=C1N)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H17NO8/c14-5-1-2-7(6(3-5)12(19)20)21-13-11(18)10(17)9(16)8(4-15)22-13/h1-3,8-11,13,15-18H,4,14H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
SMILES: C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3[C@]2(N4C(=O)N(C(=O)N4[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C)C)C#N)C6=CC=CC=C6)C#N)C
InChI: InChI=1S/C37H49N5O4/c1-24(2)11-10-12-25(3)29-15-16-30-34(29,5)19-18-31-35(6)20-17-28(46-26(4)43)21-36(35,22-38)41-32(44)40(27-13-8-7-9-14-27)33(45)42(41)37(30,31)23-39/h7-9,13-14,24-25,28-31H,10-12,15-21H2,1-6H3/t25-,28+,29?,30?,31?,34-,35-,36+,37+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([Se+]1C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OS(=O)(=O)O)O)[C@@H](CO)O)O)O
InChI: InChI=1S/C12H24O12SSe/c13-1-5(15)9(19)11(24-25(21,22)23)8(18)4-26-3-7(17)10(20)12(26)6(16)2-14/h5-20H,1-4H2/p+1/t5-,6-,7-,8+,9-,10-,11-,12+,26?/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)OCCOCCOCCO[C@H]3CCCC[C@@H]3OCCOCCOCCO2
InChI: InChI=1S/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2/t21-,22-,23-,24+/m0/s1
SMILES: CCO[C@@H]1[C@H]2CC3(C[C@H]([C@H]2C(=O)N1C)C=C)OCC(CO3)(C)C
InChI: InChI=1S/C18H29NO4/c1-6-12-8-18(22-10-17(3,4)11-23-18)9-13-14(12)15(20)19(5)16(13)21-7-2/h6,12-14,16H,1,7-11H2,2-5H3/t12-,13+,14-,16-/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2[C@@H](C=C1C=C)OC(=O)C)(CC[C@H](C3(C)C)O)C
InChI: InChI=1S/C22H34O3/c1-7-15-12-17(25-14(3)23)20-16(13(15)2)8-9-18-21(4,5)19(24)10-11-22(18,20)6/h7,12-13,16-20,24H,1,8-11H2,2-6H3/t13-,16-,17-,18-,19-,20+,22-/m1/s1
SMILES: CN1C(=O)C2(CC3=CC=CC=C3N4[C@H]2[C@@H](CC4)C5=CC=CC=C5)C(=O)N(C1=S)C
InChI: InChI=1S/C23H23N3O2S/c1-24-20(27)23(21(28)25(2)22(24)29)14-16-10-6-7-11-18(16)26-13-12-17(19(23)26)15-8-4-3-5-9-15/h3-11,17,19H,12-14H2,1-2H3/t17-,19-/m0/s1
SMILES: CC(C)[C@H]1CC[C@@H]([C@H]2[C@@H]1C[C@@](CC2=O)(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H54O3Si2/c1-19(2)20-14-15-23(30-32(12,13)26(6,7)8)24-21(20)16-27(9,17-22(24)28)18-29-31(10,11)25(3,4)5/h19-21,23-24H,14-18H2,1-13H3/t20-,21-,23+,24+,27-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C(CO)O)C)CO
InChI: InChI=1S/C33H54O5/c1-20(2)21-10-15-33(19-35)17-16-31(6)22(27(21)33)8-9-25-30(5)13-12-26(38-28(37)23(36)18-34)29(3,4)24(30)11-14-32(25,31)7/h21-27,34-36H,1,8-19H2,2-7H3/t21-,22?,23?,24?,25?,26-,27?,30-,31+,32+,33+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=NC=CS4
InChI: InChI=1S/C12H10N2O2S/c15-10-8-6-1-2-7(5-6)9(8)11(16)14(10)12-13-3-4-17-12/h1-4,6-9H,5H2/t6-,7+,8+,9-
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)[C@@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C23H17ClF3N3O3/c24-13-8-7-11(23(25,26)27)10-16(13)30-19(31)17-15-6-3-9-29(15)22(18(17)20(30)32)12-4-1-2-5-14(12)28-21(22)33/h1-2,4-5,7-8,10,15,17-18H,3,6,9H2,(H,28,33)/t15-,17+,18-,22-/m0/s1
SMILES: C1=CC(=CC(=C1)O)NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C14H13NO5/c16-8-3-1-2-7(6-8)15-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-6,9-12,16H,(H,15,17)(H,18,19)/p-1/t9-,10+,11-,12+/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C(C(=C6C(=C5[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@H](CSC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)NC(=O)OC(C)(C)C)OCO6)C)OCC=C)C(=C1OC)OCOCCOC
InChI: InChI=1S/C56H64N4O13S/c1-10-19-67-49-32(3)50-52(72-30-71-50)46-38(49)24-42-47-45-33(22-31(2)48(65-9)51(45)70-29-66-21-20-64-8)23-41(59(47)7)43(25-57)60(42)44(46)27-68-53(61)40(58-54(62)73-56(4,5)6)28-74-55(63)69-26-39-36-17-13-11-15-34(36)35-16-12-14-18-37(35)39/h10-18,22,39-44,47H,1,19-21,23-24,26-30H2,2-9H3,(H,58,62)/t40-,41-,42-,43-,44-,47-/m0/s1
SMILES: CCOC(=O)/C(=C/C(=C/[C@@H](C)[C@@H]([C@H]1[C@@H](O1)[C@@H](CC=C)O)O[Si](C)(C)C(C)(C)C)/C)/C
InChI: InChI=1S/C24H42O5Si/c1-11-13-19(25)21-22(28-21)20(29-30(9,10)24(6,7)8)17(4)14-16(3)15-18(5)23(26)27-12-2/h11,14-15,17,19-22,25H,1,12-13H2,2-10H3/b16-14+,18-15+/t17-,19-,20+,21+,22+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCN5CC5)OCC=C)CCCCO)CCCCO)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C45H60N4O9/c1-4-21-48(42(52)20-15-32-13-16-34(17-14-32)49(53)54)41-31-39(46-57-6-3)37-29-33(11-7-9-25-50)36(12-8-10-26-51)43-38-30-35(55-28-24-47-22-23-47)18-19-40(38)58-45(41,44(37)43)56-27-5-2/h5,13-20,29-30,33,36,41,43-44,50-51H,2,4,6-12,21-28,31H2,1,3H3/t33-,36+,41-,43+,44+,45+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@H]4NC(=O)CN5CCOCC5)C)O
InChI: InChI=1S/C25H42N2O3/c1-24-9-7-18(28)15-17(24)3-4-19-20-5-6-22(25(20,2)10-8-21(19)24)26-23(29)16-27-11-13-30-14-12-27/h17-22,28H,3-16H2,1-2H3,(H,26,29)/t17-,18-,19+,20+,21-,22+,24-,25-/m0/s1
SMILES: CC(=CCOC[C@H]1[C@@H]([C@@H](CCC1=O)OC(=O)C2=CC=CC=C2)OC)C
InChI: InChI=1S/C20H26O5/c1-14(2)11-12-24-13-16-17(21)9-10-18(19(16)23-3)25-20(22)15-7-5-4-6-8-15/h4-8,11,16,18-19H,9-10,12-13H2,1-3H3/t16-,18-,19+/m1/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)/C=N/OCC3=CC(=NO3)Br
InChI: InChI=1S/C12H12BrN3O7S/c1-12(5-14-22-4-6-2-7(13)15-23-6)10(11(18)19)16-8(17)3-9(16)24(12,20)21/h2,5,9-10H,3-4H2,1H3,(H,18,19)/b14-5+/t9-,10+,12+/m1/s1
SMILES: CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21N3O6S/c1-2-27-19(26)15-13(12(7-20)16(21)29-15)9-28-14(23)8-22-17(24)10-5-3-4-6-11(10)18(22)25/h10-11H,2-6,8-9,21H2,1H3/t10-,11-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=CC=C6)O)Cl)C7=CC=C(C=C7)F)Cl
InChI: InChI=1S/C33H23Cl3F4N4O5/c1-42(26-22(34)11-12-23(41-26)33(38,39)40)44-27(46)20-10-9-19-21(24(20)28(44)47)14-31(35)29(48)43(17-7-5-16(37)6-8-17)30(49)32(31,36)25(19)15-3-2-4-18(45)13-15/h2-9,11-13,20-21,24-25,45H,10,14H2,1H3/t20-,21+,24-,25-,31+,32-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H34F5NO14/c1-16(45)51-15-26-32(54-17(2)46)34(55-18(3)47)35(56-19(4)48)37(57-26)52-14-25(36(49)58-33-30(42)28(40)27(39)29(41)31(33)43)44-38(50)53-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,32,34-35,37H,13-15H2,1-4H3,(H,44,50)/t25-,26+,32-,34-,35+,37+/m0/s1
SMILES: CCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O.CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C
InChI: InChI=1S/C27H49NO5.C17H26ClN/c1-5-7-9-11-12-13-14-16-22(32-27(31)24(28-20-29)18-21(3)4)19-25-23(26(30)33-25)17-15-10-8-6-2;1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h20-25H,5-19H2,1-4H3,(H,28,29);6-9,13,16H,5,10-12H2,1-4H3/t22-,23-,24+,25-;/m0./s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC=C
InChI: InChI=1S/C29H32O4S/c1-3-19-30-26-22(2)33-29(34-25-17-11-6-12-18-25)28(32-21-24-15-9-5-10-16-24)27(26)31-20-23-13-7-4-8-14-23/h3-18,22,26-29H,1,19-21H2,2H3/t22-,26-,27+,28-,29+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)NC(=O)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C17H16N2O4/c20-14(9-4-2-1-3-5-9)15(21)18-19-16(22)12-10-6-7-11(8-10)13(12)17(19)23/h1-7,10-14,20H,8H2,(H,18,21)/t10-,11+,12-,13-,14-/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)NCC5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C40H47N3O5/c1-28-37(25-43-20-8-15-36(43)27-46-2)47-39(48-38(28)32-18-16-30(26-44)17-19-32)35-14-7-13-34(22-35)33-12-6-11-31(21-33)24-42-40(45)41-23-29-9-4-3-5-10-29/h3-7,9-14,16-19,21-22,28,36-39,44H,8,15,20,23-27H2,1-2H3,(H2,41,42,45)/t28-,36+,37+,38+,39+/m1/s1
SMILES: C[C@H]1C[C@H]2CC[C@@H]3[C@]2([C@H]([C@@H]1N)C(=O)O3)O
InChI: InChI=1S/C11H17NO3/c1-5-4-6-2-3-7-11(6,14)8(9(5)12)10(13)15-7/h5-9,14H,2-4,12H2,1H3/t5-,6+,7+,8+,9+,11+/m0/s1
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC[C@@]3([C@H]([C@H]4[C@@H](CO3)OC(O4)(C)C)O)O
InChI: InChI=1S/C22H27NO6/c1-14-4-8-16(9-5-14)27-17-10-6-15(7-11-17)23-13-22(25)20(24)19-18(12-26-22)28-21(2,3)29-19/h4-11,18-20,23-25H,12-13H2,1-3H3/t18-,19-,20+,22-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P@](=O)(C2=CC=C(C=C2)N(C)C)[C@@H](C3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C25H36NO3P/c1-18(2)23-16-11-19(3)17-24(23)29-30(28,25(27)20-9-7-6-8-10-20)22-14-12-21(13-15-22)26(4)5/h6-10,12-15,18-19,23-25,27H,11,16-17H2,1-5H3/t19-,23+,24-,25+,30-/m1/s1
SMILES: C1[C@@H]([C@H]1C(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
InChI: InChI=1S/C21H19N3O4S/c22-29(26,27)17-9-6-15(7-10-17)20-11-8-16(28-20)13-23-24-21(25)19-12-18(19)14-4-2-1-3-5-14/h1-11,13,18-19H,12H2,(H,24,25)(H2,22,26,27)/b23-13+/t18-,19+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C(C)C)CCOCCOCCO
InChI: InChI=1S/C27H49NO10/c1-4-37-27-23(5-9-31-13-16-34-12-8-29)24(22(2)3)21-25(38-27)26(30)28-6-10-32-14-17-35-19-20-36-18-15-33-11-7-28/h21-24,27,29H,4-20H2,1-3H3/t23-,24-,27-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O
InChI: InChI=1S/C35H26BrCl2N3O7/c1-47-19-10-11-21(25(42)14-19)28-20-12-13-22-27(23(20)15-34(37)32(45)40(16-36)33(46)35(28,34)38)31(44)41(30(22)43)18-8-6-17(7-9-18)29-39-24-4-2-3-5-26(24)48-29/h2-12,14,22-23,27-28,42H,13,15-16H2,1H3/t22-,23+,27-,28+,34+,35-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CCC2=CC(=CC=C2)F)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO)C(C)C
InChI: InChI=1S/C37H48FIN2O8/c1-22(2)28-9-8-23(3)14-31(28)48-21-34(44)41(12-10-24-6-5-7-27(38)15-24)30-18-26(37(46)40-11-13-42)19-32(35(30)45)49-36-29(39)16-25(20-43)17-33(36)47-4/h5-7,15-17,19-20,22-23,28,30-32,35,42,45H,8-14,18,21H2,1-4H3,(H,40,46)/t23-,28+,30+,31-,32-,35-/m0/s1
SMILES: C1C[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)C6([NH+]2C1)C(=O)C7=CC=CC=C7C6=O
InChI: InChI=1S/C29H22N2O5/c32-25-20-9-4-5-10-21(20)26(33)29(25)24-23(22-11-6-16-30(22)29)27(34)31(28(24)35)17-12-14-19(15-13-17)36-18-7-2-1-3-8-18/h1-5,7-10,12-15,22-24H,6,11,16H2/p+1/t22-,23-,24-/m0/s1
SMILES: CC1=C(C[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC)C
InChI: InChI=1S/C18H21NO4/c1-10-7-13-14(8-11(10)2)18(21)19(17(13)20)15-6-5-12(22-3)9-16(15)23-4/h5-6,9,13-14H,7-8H2,1-4H3/t13-,14+
SMILES: C1[C@H]2C[C@H]([C@@H]1C=C2)NC(=S)NNC(=S)N[C@@H]3C[C@@H]4C[C@H]3C=C4
InChI: InChI=1S/C16H22N4S2/c21-15(17-13-7-9-1-3-11(13)5-9)19-20-16(22)18-14-8-10-2-4-12(14)6-10/h1-4,9-14H,5-8H2,(H2,17,19,21)(H2,18,20,22)/t9-,10-,11+,12+,13+,14+/m0/s1
SMILES: CC[C@@H]1[C@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@@H]4C[C@@H](C[C@@H]([C@H]4OC(=O)C5=CC=CC=C5)N(C)C)C)(C)OC)C)C)C
InChI: InChI=1S/C41H60FN3O9/c1-12-30-41(8)33-25(4)31(43-18-19-45(33)38(49)54-41)24(3)22-39(6,50-11)35(26(5)34(46)40(7,42)37(48)52-30)51-29-21-23(2)20-28(44(9)10)32(29)53-36(47)27-16-14-13-15-17-27/h13-17,23-26,28-30,32-33,35H,12,18-22H2,1-11H3/t23-,24-,25+,26+,28+,29-,30-,32-,33-,35-,39+,40?,41+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C18H31N5O8S2Si/c1-18(2,3)34(6,7)28-8-11-13(30-32(4,24)25)14(31-33(5,26)27)17(29-11)23-10-22-12-15(19)20-9-21-16(12)23/h9-11,13-14,17H,8H2,1-7H3,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1
SMILES: CCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C21H26O5/c1-2-3-9-15(22)10-11-16-17-12-20(23)25-19(17)13-18(16)26-21(24)14-7-5-4-6-8-14/h4-8,10-11,15-19,22H,2-3,9,12-13H2,1H3/b11-10+/t15-,16+,17+,18+,19-/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)C9CC9)OCC=C)C=O
InChI: InChI=1S/C57H62N2O9/c1-3-30-65-57-53(59(56(63)40-22-23-40)35-42-19-13-18-39-16-7-8-20-46(39)42)34-50(58-66-37-38-14-5-4-6-15-38)48-32-41(17-9-11-28-60)47(21-10-12-29-61)54(55(48)57)49-33-45(25-27-52(49)68-57)67-44-24-26-51(64-2)43(31-44)36-62/h3-8,13-16,18-20,24-27,31-33,36,40-41,47,53-55,60-61H,1,9-12,17,21-23,28-30,34-35,37H2,2H3/t41-,47+,53-,54+,55+,57+/m0/s1