EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24BrCl2FN2O6/c35-16-39-31(45)33(36)15-23-20(26(34(33,37)32(39)46)22-7-4-8-24(38)28(22)42)13-14-21-25(23)30(44)40(29(21)43)19-11-9-18(10-12-19)27(41)17-5-2-1-3-6-17/h1-13,21,23,25-26,42H,14-16H2/t21-,23+,25-,26+,33+,34-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C=C(C(=O)C3(C)C)C#N)C
InChI: InChI=1S/C32H45NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,17,22-24H,10-16,18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
SMILES: C1CCN2CCC[C@@H]([C@@H]2C1)CNC(=O)C3=[N+](ON=C3N)[O-]
InChI: InChI=1S/C13H21N5O3/c14-12-11(18(20)21-16-12)13(19)15-8-9-4-3-7-17-6-2-1-5-10(9)17/h9-10H,1-8H2,(H2,14,16)(H,15,19)/t9-,10+/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CCN4CCCCC4)(C)C)O)C)O)C=C.Cl
InChI: InChI=1S/C28H45NO7.ClH/c1-7-25(4)17-19(31)28(34)26(5)18(30)11-13-24(2,3)22(26)21(23(33)27(28,6)36-25)35-20(32)12-16-29-14-9-8-10-15-29;/h7,18,21-23,30,33-34H,1,8-17H2,2-6H3;1H/t18-,21-,22-,23-,25-,26-,27+,28-;/m0./s1
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=C([C@H]([C@@H](C(=O)N2)C(=O)OC)C3=CC=CC=C3OC)C#N
InChI: InChI=1S/C24H23N3O6S/c1-31-15-10-8-14(9-11-15)26-19(28)13-34-23-17(12-25)20(16-6-4-5-7-18(16)32-2)21(22(29)27-23)24(30)33-3/h4-11,20-21H,13H2,1-3H3,(H,26,28)(H,27,29)/t20-,21+/m1/s1
SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H]3CS(=O)(=O)C[C@H]3O)CC(C)C)C
InChI: InChI=1S/C16H22N2O4S3/c1-8(2)5-18-15(20)13-9(3)10(4)23-14(13)17-16(18)24-12-7-25(21,22)6-11(12)19/h8,11-12,19H,5-7H2,1-4H3/t11-,12-/m1/s1
SMILES: C1CC=CCC[C@@H]2[C@H](C2C(=O)NC3=CC=C(C=C3)Cl)CCC=C1
InChI: InChI=1S/C20H24ClNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/t17-,18-,19?/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCC)C(=O)OCC(C)(C)C)OCC=C
InChI: InChI=1S/C54H87N3O10/c1-7-10-11-12-13-14-15-16-17-21-30-55-51(60)65-41-28-29-46-44(37-41)49-42(26-19-23-33-59)40(25-18-22-32-58)36-43-45(56-67-48-27-20-24-35-62-48)38-47(54(66-46,50(43)49)64-34-9-3)57(31-8-2)52(61)63-39-53(4,5)6/h9,28-29,36-37,40,42,47-50,58-59H,3,7-8,10-27,30-35,38-39H2,1-2,4-6H3,(H,55,60)/t40-,42+,47-,48?,49+,50+,54+/m0/s1
SMILES: C1C[C@@H](N[C@H]2[C@@H]1N[C@H](CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H24N2/c1-3-7-15(8-4-1)17-11-13-20-19(21-17)14-12-18(22-20)16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19-,20-/m1/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)Cl)O)OC)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)Cl
InChI: InChI=1S/C34H34Cl3N3O6/c1-38-31(44)33(36)16-23-21(27(34(33,37)32(38)45)19-14-24(35)28(41)25(15-19)46-2)8-9-22-26(23)30(43)40(29(22)42)20-10-12-39(13-11-20)17-18-6-4-3-5-7-18/h3-8,14-15,20,22-23,26-27,41H,9-13,16-17H2,1-2H3/t22-,23+,26-,27-,33+,34-/m0/s1
SMILES: CC(=O)N[C@@H]1CN([C@@H](C[C@H]1O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C29H42N2O5Si/c1-21(32)30-25-19-31(27(34)36-28(2,3)4)22(18-26(25)33)20-35-37(29(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25-26,33H,18-20H2,1-7H3,(H,30,32)/t22-,25+,26+/m0/s1
SMILES: C[C@@]1(CC2=C(C[C@H]1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O
InChI: InChI=1S/C16H16O6/c1-16(21)6-10-8(5-12(16)18)15(20)13-9(14(10)19)3-7(22-2)4-11(13)17/h3-4,12,17-18,21H,5-6H2,1-2H3/t12-,16+/m1/s1
SMILES: C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24COC([C@@H]1OC(=O)C)([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=CC(=O)[C@H]5OC(=O)C)C)C)O
InChI: InChI=1S/C29H36O11/c1-12(2)8-19(33)39-22-21-13(3)9-18(32)24(38-16(6)31)27(21,7)26-28-11-36-29(26,35)23(37-15(5)30)14(4)17(28)10-20(34)40-25(22)28/h8-9,14,17,21-26,35H,10-11H2,1-7H3/t14-,17+,21-,22-,23-,24-,25-,26-,27-,28-,29?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl
InChI: InChI=1S/C19H25ClN2O4S/c1-13-4-2-3-5-16(13)22-17(23)10-26-19(25)12-27-11-18(24)21-15-8-6-14(20)7-9-15/h6-9,13,16H,2-5,10-12H2,1H3,(H,21,24)(H,22,23)/t13-,16-/m0/s1
SMILES: CC1(O[C@H]2CO[C@@]3([C@@H]([C@@H]2O1)OC(O3)(C)C)C[NH3+])C
InChI: InChI=1S/C12H21NO5/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9H,5-6,13H2,1-4H3/p+1/t7-,8+,9+,12-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCCOC)C
InChI: InChI=1S/C36H59N5O8S/c1-11-12-16-24(27(42)30(44)37-19-20-49-10)38-29(43)26-25-23(35(25,8)9)21-41(26)31(45)28(33(2,3)4)39-32(46)40-36(17-14-13-15-18-36)22-50(47,48)34(5,6)7/h1,23-26,28H,12-22H2,2-10H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24?,25-,26-,28+/m0/s1
SMILES: CC1(O[C@H]([C@H]2[C@H](O1)[C@H]3CO[C@@H]([C@@H]2OCC4=CC=CC=C4)O3)[C@@H]5C[C@H](CN5C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C32H51NO8Si/c1-30(2,3)40-29(34)33-17-21(41-42(9,10)31(4,5)6)16-22(33)25-24-26(39-32(7,8)38-25)23-19-36-28(37-23)27(24)35-18-20-14-12-11-13-15-20/h11-15,21-28H,16-19H2,1-10H3/t21-,22+,23-,24+,25+,26-,27-,28-/m1/s1
SMILES: CN(C)CCN1[C@@]2(CCCC[C@@H]2C[C@H]3[C@@]1(CCCC3)C#N)C#N
InChI: InChI=1S/C19H30N4/c1-22(2)11-12-23-18(14-20)9-5-3-7-16(18)13-17-8-4-6-10-19(17,23)15-21/h16-17H,3-13H2,1-2H3/t16-,17+,18+,19-
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)(COC(=O)CCC(=O)O)O)C
InChI: InChI=1S/C38H58O13/c1-20-7-9-26-22(3)28(44-32-37(26)24(20)13-15-34(5,46-32)48-50-37)17-36(42,19-43-31(41)12-11-30(39)40)18-29-23(4)27-10-8-21(2)25-14-16-35(6)47-33(45-29)38(25,27)51-49-35/h20-29,32-33,42H,7-19H2,1-6H3,(H,39,40)/t20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,32-,33-,34+,35+,37-,38-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H](C1=CC=CC=C1)[C@]23CCC[C@H](C2=O)[C@@H]4C=C[C@H]3O4
InChI: InChI=1S/C23H32O3Si/c1-22(2,3)27(4,5)26-21(16-10-7-6-8-11-16)23-15-9-12-17(20(23)24)18-13-14-19(23)25-18/h6-8,10-11,13-14,17-19,21H,9,12,15H2,1-5H3/t17-,18-,19+,21-,23-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)[C@H]2C[C@H]2C)OCC
InChI: InChI=1S/C18H24N2O6/c1-4-24-14-7-6-12(9-15(14)25-5-2)19-18(23)20-16(21)10-26-17(22)13-8-11(13)3/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H2,19,20,21,23)/t11-,13+/m1/s1
SMILES: C/C=C/CC[C@@H]1[C@@H](CCC2(C1C2)N(C)C3=CC=C(C=C3)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C29H49NO2Si/c1-10-11-12-13-26-27-20-29(27,30(8)24-14-16-25(31-9)17-15-24)19-18-28(26)32-33(21(2)3,22(4)5)23(6)7/h10-11,14-17,21-23,26-28H,12-13,18-20H2,1-9H3/b11-10+/t26-,27?,28+,29?/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\C3CCCCC3)/C4=CC=CS4)C(=O)O)C
InChI: InChI=1S/C21H26N2O4S2/c1-21(2)16(20(26)27)23-18(25)15(19(23)29-21)22-17(24)13(14-9-6-10-28-14)11-12-7-4-3-5-8-12/h6,9-12,15-16,19H,3-5,7-8H2,1-2H3,(H,22,24)(H,26,27)/b13-11-/t15-,16+,19-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]1C5=C(C=CC(=C5)OC(F)(F)F)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C27H21ClF4N4O6/c1-26-16(22(38)35(23(26)39)12-3-5-18(29)17(28)9-12)11-19-14(7-8-34-24(40)33(2)25(41)36(19)34)21(26)15-10-13(4-6-20(15)37)42-27(30,31)32/h3-7,9-10,16,19,21,37H,8,11H2,1-2H3/t16-,19+,21+,26+/m0/s1
SMILES: C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C
InChI: InChI=1S/C27H42O3/c1-18(17-28)22-9-10-23-21-8-7-19-16-20(30-25-6-4-5-15-29-25)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,17-18,20-25H,4-6,8-16H2,1-3H3/t18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C(C7CC=C6[C@@]4([C@H]3O)C)(C)C)O)C)O2)C(C)(C)O
InChI: InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h9,16-18,20-23,31-33H,8,10-15H2,1-7H3/t16-,17-,18?,20+,21-,22-,23-,26-,27-,28-,29+,30+/m1/s1
SMILES: C1=CC2=C(C=CC(=C2C(=C1)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O
InChI: InChI=1S/C23H22O12/c24-11-4-5-15(17-10(11)2-1-3-12(17)25)34-23-21(31)20(30)19(29)16(35-23)8-33-22(32)9-6-13(26)18(28)14(27)7-9/h1-7,16,19-21,23-31H,8H2/t16-,19-,20+,21-,23-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)OCC=C)CS[C@H]4CCN(C4)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H48N2O6SSi/c1-9-16-37-29(35)27-25-21(19-40-22-14-15-32(18-22)30(36)38-17-10-2)12-11-13-23(25)26-24(28(34)33(26)27)20(3)39-41(7,8)31(4,5)6/h9-10,20-24,26H,1-2,11-19H2,3-8H3/t20-,21-,22+,23+,24-,26-/m1/s1
SMILES: CCO[C@@H]1C=C[C@@H]([C@H](O1)COS(=O)(=O)C(F)(F)F)OC(=O)C
InChI: InChI=1S/C11H15F3O7S/c1-3-18-10-5-4-8(20-7(2)15)9(21-10)6-19-22(16,17)11(12,13)14/h4-5,8-10H,3,6H2,1-2H3/t8-,9+,10-/m0/s1
SMILES: CC(C)N(C)[C@H]1CC[C@H]([C@H](C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C(F)(F)F)CS(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-14-9-19(17-38(36,37)23-7-5-4-6-8-23)24(15-22)32-26(35)16-25(34)31-21-12-10-20(11-13-21)27(28,29)30/h4-8,10-13,18-19,22,24H,9,14-17H2,1-3H3,(H,31,34)(H,32,35)/t19-,22-,24-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)Br)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C2=O)C9=CC=CC=C9
InChI: InChI=1S/C41H32BrN3O7/c1-41-28(38(48)45(40(41)50)23-8-4-3-5-9-23)20-27-25(34(41)22-18-29(42)35(46)32(19-22)51-2)16-17-26-33(27)39(49)44(37(26)47)24-14-12-21(13-15-24)36-43-30-10-6-7-11-31(30)52-36/h3-16,18-19,26-28,33-34,46H,17,20H2,1-2H3/t26-,27+,28-,33-,34-,41+/m0/s1
SMILES: C1=CC=C(C=C1)COC2=NC(=NC3=C2N=NN3CCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)N
InChI: InChI=1S/C19H24N6O7/c20-19-21-16-12(17(22-19)31-9-10-4-2-1-3-5-10)23-24-25(16)6-7-30-18-15(29)14(28)13(27)11(8-26)32-18/h1-5,11,13-15,18,26-29H,6-9H2,(H2,20,21,22)/t11-,13-,14+,15-,18-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](OP(O2)[C]3[CH][CH][CH][CH]3)C4=CC=CC=C4
InChI: InChI=1S/C19H16O2P/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)21-22(20-18)17-13-7-8-14-17/h1-14,18-19H/t18-,19-/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1SC2=CC=CC=C2)COCC=C)O)OCC=C
InChI: InChI=1S/C23H32O6S/c1-6-13-26-15-17-18(24)19(27-14-7-2)20(29-22(25)23(3,4)5)21(28-17)30-16-11-9-8-10-12-16/h6-12,17-21,24H,1-2,13-15H2,3-5H3/t17-,18+,19+,20-,21+/m1/s1
SMILES: CC(C)CCN[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H26N2O4/c1-12(2)8-9-19-14-10-22-17-15(11-23-16(14)17)24-18(21)20-13-6-4-3-5-7-13/h3-7,12,14-17,19H,8-11H2,1-2H3,(H,20,21)/t14-,15+,16+,17+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@H](C(=O)C[C@@]1(O2)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H28O3Si/c1-10-8-12-13(11(16)9-15(10,5)17-12)18-19(6,7)14(2,3)4/h10,12-13H,8-9H2,1-7H3/t10-,12+,13+,15+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]2S(=O)(=O)C3=CC=CC=C3)C(=O)[C@H]4[C@@H]([C@@H]4S(=O)(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H26O5S2/c32-29(27-25(21-13-5-1-6-14-21)30(27)37(33,34)23-17-9-3-10-18-23)28-26(22-15-7-2-8-16-22)31(28)38(35,36)24-19-11-4-12-20-24/h1-20,25-28,30-31H/t25-,26+,27+,28-,30-,31+
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)COCC3=CC=CC=C3)OCC=C)OC
InChI: InChI=1S/C18H24O6/c1-4-10-21-15-14(12-20-11-13-8-6-5-7-9-13)22-17-16(15)23-18(2,19-3)24-17/h4-9,14-17H,1,10-12H2,2-3H3/t14-,15-,16-,17-,18?/m1/s1
SMILES: CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C28H40O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-21,25,33H,4-14,16-17H2,1-3H3/t20-,21-,25+,26-,27-,28-/m0/s1
SMILES: C[C@@H](C(=O)NN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H](O1)CCC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)CCC3=CC=CC=C3
InChI: InChI=1S/C34H46N4O7/c1-22(2)29(36-27(39)20-18-25-15-11-8-12-16-25)32(42)35-23(3)31(41)37-38(21-28(40)45-34(4,5)6)33(43)30-26(44-30)19-17-24-13-9-7-10-14-24/h7-16,22-23,26,29-30H,17-21H2,1-6H3,(H,35,42)(H,36,39)(H,37,41)/t23-,26-,29-,30+/m0/s1
SMILES: C[C@@H]1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=CC=C(S4)Cl)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C20H19ClN2O3S/c1-10-9-13-17(19(24)16(10)20(25)26-2)18(14-7-8-15(21)27-14)23-12-6-4-3-5-11(12)22-13/h3-8,10,16,18,22-23H,9H2,1-2H3/t10-,16+,18+/m1/s1
SMILES: CCC[C@@H]1C=C2C([C@@H]([C@@H]3[C@H](C2=O)O3)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChI: InChI=1S/C18H28O5Si/c1-7-8-10-9-11-12(17(20)21-10)14(16-15(22-16)13(11)19)23-24(5,6)18(2,3)4/h9-10,12,14-16H,7-8H2,1-6H3/t10-,12?,14+,15+,16-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)[S+](C)CC(=O)N3CCCCC3.[Br-]
InChI: InChI=1S/C18H32NO2S.BrH/c1-17(2)13-8-9-18(17,3)16(21)15(13)22(4)12-14(20)19-10-6-5-7-11-19;/h13,15-16,21H,5-12H2,1-4H3;1H/q+1;/p-1/t13-,15-,16-,18+,22?;/m1./s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3CC[C@H](C[C@H]3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C21H21NO3/c1-25-19-10-6-5-9-18(19)22-20(23)16-12-11-15(13-17(16)21(22)24)14-7-3-2-4-8-14/h2-10,15-17H,11-13H2,1H3/t15-,16-,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@H](O1)O[Si](C)(C)C(C)(C)C)OC(=O)CCl)OCC2=CC=CC=C2
InChI: InChI=1S/C21H33ClO5Si/c1-15-20(24-14-16-10-8-7-9-11-16)17(26-18(23)13-22)12-19(25-15)27-28(5,6)21(2,3)4/h7-11,15,17,19-20H,12-14H2,1-6H3/t15-,17-,19+,20+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)N[C@@H]4CCOC[C@@H]4C(=O)NO
InChI: InChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3C(=NN[C@]3(C2=O)C)C(=O)OC)Cl
InChI: InChI=1S/C15H14ClN3O4/c1-7-4-5-8(6-9(7)16)19-12(20)10-11(13(21)23-3)17-18-15(10,2)14(19)22/h4-6,10,18H,1-3H3/t10-,15+/m0/s1
SMILES: CC1=C(C=CC(=C1)C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C16H19N3O6/c1-9-8-10(6-7-13(9)19(24)25)14(20)17-18-15(21)11-4-2-3-5-12(11)16(22)23/h6-8,11-12H,2-5H2,1H3,(H,17,20)(H,18,21)(H,22,23)/p-1/t11-,12+/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[C@@H](O6)OCCOCCO)C7=CC=CC8=C7CC9=CC=CC=C98)OC)OC)OC)OC
InChI: InChI=1S/C52H62N2O9/c1-6-32-31-53-16-14-34-25-46(57-2)48(59-4)29-41(34)44(53)23-36(32)24-45-42-30-49(60-5)47(58-3)26-35(42)15-17-54(45)52(56)50-27-37(28-51(63-50)62-21-20-61-19-18-55)39-12-9-13-40-38-11-8-7-10-33(38)22-43(39)40/h7-13,25-27,29-30,32,36-37,44-45,51,55H,6,14-24,28,31H2,1-5H3/t32-,36+,37-,44-,45+,51+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=C3C2=CC6=CC=CC=C65)C7=CC=C(C=C7)F
InChI: InChI=1S/C28H24FN/c29-20-13-11-17(12-14-20)27-24-10-4-9-23(24)26-22-7-2-1-5-18(22)15-25-21-8-3-6-19(21)16-30(27)28(25)26/h1-5,7-9,11-15,19,21,23-24,27H,6,10,16H2/t19-,21+,23-,24+,27+/m1/s1
SMILES: C1C=C(C[C@H]([C@H]1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI: InChI=1S/C14H12Cl2N2O5/c15-7-1-3-9(14(20)21)10(5-7)13(19)17-11-4-2-8(16)6-12(11)18(22)23/h1-2,4,6,9-10H,3,5H2,(H,17,19)(H,20,21)/t9-,10+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)O[C@@H]([C@]3(C(=O)C(=C(O3)[C@@H](C[C@@]2(C)OC)C)C)C)C=C)C)C)OC(=O)C)N(C)C
InChI: InChI=1S/C32H49NO10/c1-13-23-32(9)27(36)20(6)25(43-32)16(2)15-31(8,38-12)28(18(4)24(35)19(5)29(37)41-23)42-30-26(40-21(7)34)22(33(10)11)14-17(3)39-30/h13,16-19,22-23,26,28,30H,1,14-15H2,2-12H3/t16-,17-,18+,19-,22+,23-,26-,28-,30+,31-,32+/m1/s1
SMILES: CCCC#CC1=C2C[C@@H]3C[C@@H]4[C@H](C(=O)C(C(=O)[C@@]4(C(=O)C3C(=O)C2=C(C=C1)O)O)C(=O)N)N(C)C
InChI: InChI=1S/C26H28N2O7/c1-4-5-6-7-12-8-9-16(29)18-14(12)10-13-11-15-20(28(2)3)22(31)19(25(27)34)24(33)26(15,35)23(32)17(13)21(18)30/h8-9,13,15,17,19-20,29,35H,4-5,10-11H2,1-3H3,(H2,27,34)/t13-,15-,17?,19?,20-,26-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)C)O)C)O
InChI: InChI=1S/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1
SMILES: CC(=O)C1=CC(=C(C=C1)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C20H23NO6/c1-12(22)13-7-8-16(17(11-13)26-2)27-18(23)9-10-21-19(24)14-5-3-4-6-15(14)20(21)25/h7-8,11,14-15H,3-6,9-10H2,1-2H3/t14-,15+
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C(C(O1)O)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H36F2O4Si2/c1-15(2,3)24(7,8)21-11-12-13(17(18,19)14(20)22-12)23-25(9,10)16(4,5)6/h12-14,20H,11H2,1-10H3/t12-,13-,14?/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl
InChI: InChI=1S/C32H27ClF3N3O5/c1-13-9-16(10-14(2)27(13)41)24-17-5-6-18-25(19(17)12-20-26(24)22(40)11-15(3)28(20)42)31(44)39(30(18)43)38(4)29-21(33)7-8-23(37-29)32(34,35)36/h5,7-11,18-19,24-25,41H,6,12H2,1-4H3/t18-,19+,24-,25-/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@H]4CCC(=O)[C@@]4(CC[C@@H]3[C@@]1(CC[C@](C2)(C#C)O)C)C
InChI: InChI=1S/C22H32O2/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/h1,15-17,24H,6-14H2,2-4H3/t15-,16+,17-,19-,20+,21-,22-/m0/s1
SMILES: B1(O[C@@H]2[C@H]3CC[C@@]([C@@]2(O1)C4=CC=CC=C4)(C3(C)C)C)CI
InChI: InChI=1S/C17H22BIO2/c1-15(2)13-9-10-16(15,3)17(12-7-5-4-6-8-12)14(13)20-18(11-19)21-17/h4-8,13-14H,9-11H2,1-3H3/t13-,14-,16-,17-/m1/s1
SMILES: C[C@]1([C@H](C[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)CC(=O)[C@@H](O3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OCC6=CC=CC=C6)CCOCC7=CC=CC=C7
InChI: InChI=1S/C45H54O7Si/c1-44(2,3)53(35-21-13-7-14-22-35,36-23-15-8-16-24-36)49-32-42-37(46)27-38-39(51-42)28-41-40(50-38)29-43(48-31-34-19-11-6-12-20-34)45(4,52-41)25-26-47-30-33-17-9-5-10-18-33/h5-24,38-43H,25-32H2,1-4H3/t38-,39+,40+,41-,42-,43-,45+/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C20H23FN2O4S/c21-15-10-12-16(13-11-15)23(28(26,27)17-6-2-1-3-7-17)14-20(25)22-18-8-4-5-9-19(18)24/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2,(H,22,25)/t18-,19-/m0/s1
SMILES: C1CCC2(CC1)O[C@@H]3C=C[C@@H]4[C@@H]([C@@H]3O2)OC5(O4)CCCCC5
InChI: InChI=1S/C18H26O4/c1-3-9-17(10-4-1)19-13-7-8-14-16(15(13)21-17)22-18(20-14)11-5-2-6-12-18/h7-8,13-16H,1-6,9-12H2/t13-,14-,15-,16+/m1/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C/C=C/C(C(C)O)OCCC5=CC(=O)OC5)C)CO
InChI: InChI=1S/C29H38O9/c1-18-8-10-28(16-30)23(12-18)37-24-14-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-11-9-20-13-26(33)35-15-20/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5+/t19?,21?,22-,23-,24-,27-,28-,29+/m1/s1
SMILES: CC(=O)NC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C9H17NO6/c1-4(12)10-2-5-7(13)9(15)8(14)6(3-11)16-5/h5-9,11,13-15H,2-3H2,1H3,(H,10,12)/t5-,6-,7+,8-,9-/m1/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]2C7=CC(=C(C(=C7)OC)O)OC)C)C
InChI: InChI=1S/C38H41N5O10/c1-18-19(2)34(46)38(3)22(32(18)44)15-25-21(31(38)20-13-29(52-7)33(45)30(14-20)53-8)9-12-42-36(48)41(37(49)43(25)42)11-10-23-35(47)40(4)26-17-28(51-6)27(50-5)16-24(26)39-23/h9,13-14,16-17,22,25,31,45H,10-12,15H2,1-8H3/t22-,25+,31-,38+/m0/s1
SMILES: CC[C@H](C(=O)[C@@H]1O[C@@H]2C[C@@H](CC[C@H]2C(S1)(C)C)C)SC
InChI: InChI=1S/C16H28O2S2/c1-6-13(19-5)14(17)15-18-12-9-10(2)7-8-11(12)16(3,4)20-15/h10-13,15H,6-9H2,1-5H3/t10-,11-,12-,13-,15-/m1/s1
SMILES: CCCC1OC2CC3C4C[C@@H](C5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3(C2(O1)C(=O)COC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)F)C)F
InChI: InChI=1S/C31H42F2O11/c1-4-5-23-43-22-10-15-16-9-18(32)17-8-14(35)6-7-28(17,2)30(16,33)20(36)11-29(15,3)31(22,44-23)21(37)13-41-27-26(40)25(39)24(38)19(12-34)42-27/h6-8,15-16,18-20,22-27,34,36,38-40H,4-5,9-13H2,1-3H3/t15?,16?,18-,19+,20-,22?,23?,24+,25-,26+,27?,28-,29-,30-,31?/m0/s1
SMILES: CN1CC=C2[C@H](C1)[C@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C19H16FN5/c1-25-7-6-15-14(9-25)17(12-4-2-3-5-16(12)20)13(8-21)18(24)19(15,10-22)11-23/h2-6,13-14,17,24H,7,9H2,1H3/t13-,14+,17+/m1/s1
SMILES: C[C@@]12CCCC(=O)[C@@H]1[C@@H](N[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO/c1-21-14-8-13-17(23)18(21)19(15-9-4-2-5-10-15)22-20(21)16-11-6-3-7-12-16/h2-7,9-12,18-20,22H,8,13-14H2,1H3/t18-,19+,20-,21-/m1/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O
InChI: InChI=1S/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3/t23-,25+,27-,28-,29-,30-,31?,32+,33+,34-,35+,36-,37-,38?,39+,40-,42-,43-,44+/m1/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=C(C=C4)C5=CC=CC=C5CNC(=O)CCCCC(=O)NC6=CC=CC=C6N)C7=CC=C(C=C7)CO
InChI: InChI=1S/C51H65N5O6/c1-51(2,3)55-49(60)45-29-28-36-12-5-9-17-44(36)56(45)32-40-30-46(37-22-20-34(33-57)21-23-37)62-50(61-40)38-26-24-35(25-27-38)41-14-6-4-13-39(41)31-53-47(58)18-10-11-19-48(59)54-43-16-8-7-15-42(43)52/h4,6-8,13-16,20-27,36,40,44-46,50,57H,5,9-12,17-19,28-33,52H2,1-3H3,(H,53,58)(H,54,59)(H,55,60)/t36-,40+,44-,45-,46-,50-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=N[C@H]3[C@@H](O2)SC(=N3)NC4=CC=C(C=C4)C
InChI: InChI=1S/C18H17N3OS/c1-11-3-7-13(8-4-11)16-20-15-17(22-16)23-18(21-15)19-14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3,(H,19,21)/t15-,17+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COP(=O)(O)OCC[N+](C)(C)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCC(C)C)O
InChI: InChI=1S/C47H93N2O11P/c1-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-34-43(51)48-40(41(50)33-30-27-24-21-19-18-20-23-26-29-32-39(2)3)37-57-47-46(54)45(53)44(52)42(60-47)38-59-61(55,56)58-36-35-49(4,5)6/h30,33,39-42,44-47,50,52-54H,7-29,31-32,34-38H2,1-6H3,(H-,48,51,55,56)/p+1/b33-30+/t40-,41+,42+,44-,45-,46+,47+/m0/s1
SMILES: CCOC(=O)CCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)O)C
InChI: InChI=1S/C29H49NO7/c1-5-37-26(36)10-11-30-25(35)9-6-16(2)19-7-8-20-27-21(15-24(34)29(19,20)4)28(3)17(13-22(27)32)12-18(31)14-23(28)33/h16-24,27,31-34H,5-15H2,1-4H3,(H,30,35)/t16-,17+,18+,19-,20+,21+,22-,23-,24+,27+,28+,29-/m1/s1
SMILES: CC1([C@@]2(C[C@@]([C@H]2O)(O1)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Cl)C
InChI: InChI=1S/C20H19ClO4/c1-18(2)20(24-16(22)13-7-6-10-15(21)11-13)12-19(25-18,17(20)23)14-8-4-3-5-9-14/h3-11,17,23H,12H2,1-2H3/t17-,19-,20+/m1/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(C(=O)N2S(=O)(=O)C)C3CCCC3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C22H37N3O6S/c1-13(2)17(23-21(28)31-22(3,4)5)20(27)24-12-11-15-18(24)16(14-9-7-8-10-14)19(26)25(15)32(6,29)30/h13-18H,7-12H2,1-6H3,(H,23,28)/t15-,16?,17-,18-/m0/s1
SMILES: CC(CC(C)C(=O)O)[C@H]1CCC2[C@@]1(CCC3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(C4)O)C)O)C
InChI: InChI=1S/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14?,15?,16-,17?,18+,19?,20?,21-,22-,24-,25+/m0/s1
SMILES: CC(=CCOC(C)(C)[C@@H]1[C@H]([C@@H]2C3(O2)[C@@H]4CC[C@H]5CC6=C([C@@]5([C@]4(CC[C@@H]3O1)C)C)NC7=CC=CC=C67)O)C
InChI: InChI=1S/C32H43NO4/c1-18(2)14-16-35-29(3,4)27-25(34)28-32(37-28)23-12-11-19-17-21-20-9-7-8-10-22(20)33-26(21)31(19,6)30(23,5)15-13-24(32)36-27/h7-10,14,19,23-25,27-28,33-34H,11-13,15-17H2,1-6H3/t19-,23+,24-,25+,27-,28+,30-,31+,32?/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)C2=CC=CC=C2NCC3=CC=NC=C3)O
InChI: InChI=1S/C19H23N3O2/c23-18-8-4-3-7-17(18)22-19(24)15-5-1-2-6-16(15)21-13-14-9-11-20-12-10-14/h1-2,5-6,9-12,17-18,21,23H,3-4,7-8,13H2,(H,22,24)/t17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@]2(C)O)CCC4=CC(=O)C(=C)C[C@@]34C
InChI: InChI=1S/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h11,15-17,23H,1,5-10,12H2,2-4H3/t15-,16-,17+,19+,20-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC3=C(C=C(C=C3)Cl)Cl)C(=O)OC
InChI: InChI=1S/C22H18Cl2N2O4S/c1-29-15-7-4-12(5-8-15)18-16(10-25)21(26-20(27)19(18)22(28)30-2)31-11-13-3-6-14(23)9-17(13)24/h3-9,18-19H,11H2,1-2H3,(H,26,27)/t18-,19+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(N=C(C=C2C)C)Cl
InChI: InChI=1S/C19H27ClN2O3/c1-10-7-6-8-15(13(10)4)22-18(23)14(5)25-19(24)16-11(2)9-12(3)21-17(16)20/h9-10,13-15H,6-8H2,1-5H3,(H,22,23)/t10-,13-,14-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C18H24N2O2/c1-12-7-9-14(10-8-12)20-17(21)11-16(18(20)22)19-15-6-4-3-5-13(15)2/h7-10,13,15-16,19H,3-6,11H2,1-2H3/t13-,15+,16+/m0/s1