EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C=C(C2=CC=CC=C21)[C@@H]3[C@@H]4[C@@H](C(=O)NC4=O)SC5=C3SC(=O)N5
InChI: InChI=1S/C17H13N3O3S2/c1-20-6-8(7-4-2-3-5-9(7)20)10-11-12(15(22)18-14(11)21)24-16-13(10)25-17(23)19-16/h2-6,10-12H,1H3,(H,19,23)(H,18,21,22)/t10-,11-,12+/m1/s1
SMILES: CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C
InChI: InChI=1S/C14H21NO8/c1-7(16)15-11-5-21-12(6-20-8(2)17)14(23-10(4)19)13(11)22-9(3)18/h11-14H,5-6H2,1-4H3,(H,15,16)/t11-,12+,13+,14+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]([C@H](C)C(CCO[Si](C)(C)C(C)(C)C)(C#N)C#N)[Se]C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C36H52N2O2SeSi/c1-27-20-21-31(35(6,7)29-16-12-10-13-17-29)32(24-27)40-33(41-30-18-14-11-15-19-30)28(2)36(25-37,26-38)22-23-39-42(8,9)34(3,4)5/h10-19,27-28,31-33H,20-24H2,1-9H3/t27-,28+,31-,32-,33-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@@H]3C(=O)O[C@@H](C[C@@]3(C2[C@H]1OC(=O)C)C)C4=COC=C4)C)C(=O)OC
InChI: InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17+,18+,19+,20+,21?,24+,25+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C14H18ClN3O2S/c1-9-4-2-3-5-12(9)16-14(21)17-13-8-10(18(19)20)6-7-11(13)15/h6-9,12H,2-5H2,1H3,(H2,16,17,21)/t9-,12-/m0/s1
SMILES: CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C
InChI: InChI=1S/C26H25N3O4/c1-3-27-19-8-5-4-7-18(19)26(25(27)33)22-21(20-9-6-14-28(20)26)23(31)29(24(22)32)17-12-10-16(11-13-17)15(2)30/h4-5,7-8,10-13,20-22H,3,6,9,14H2,1-2H3/t20-,21+,22-,26+/m0/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4=CC=C(C=C4)OC)C(=O)O
InChI: InChI=1S/C20H21NO5/c1-11(2)10-15-20-9-8-14(26-20)16(19(23)24)17(20)18(22)21(15)12-4-6-13(25-3)7-5-12/h4-9,14-17H,1,10H2,2-3H3,(H,23,24)/t14-,15+,16-,17-,20-/m1/s1
SMILES: CN(C[C@@H]1[C@H]([C@@H](OC(O1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)C[C@H](C7=CC(=CC=C7)O)O
InChI: InChI=1S/C43H43N3O7S/c1-46(26-37(49)35-11-5-13-36(48)24-35)27-38-40(31-8-3-2-4-9-31)42(33-19-17-30(28-47)18-20-33)53-43(52-38)34-21-15-29(16-22-34)25-45-54(50,51)39-14-6-10-32-12-7-23-44-41(32)39/h2-24,37-38,40,42-43,45,47-49H,25-28H2,1H3/t37-,38-,40-,42+,43?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](C)C(C)(C)[C@H](C)C(C)C
InChI: InChI=1S/C31H54O/c1-19(2)21(4)29(6,7)22(5)20(3)26-12-13-27-25-11-10-23-18-24(32)14-16-30(23,8)28(25)15-17-31(26,27)9/h10,19-22,24-28,32H,11-18H2,1-9H3/t20-,21-,22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C#C)COP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C14H18N4O10P2/c1-3-7-4-18(12-9(7)11(15)16-6-17-12)13-14(2,20)10(19)8(27-13)5-26-30(24,25)28-29(21,22)23/h1,4,6,8,10,13,19-20H,5H2,2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/t8-,10-,13-,14-/m1/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1C=C2)C(=O)C[C@@]3(C4=CC=CC=C4NC3=O)O
InChI: InChI=1S/C17H17NO3/c19-15(12-8-10-5-6-11(12)7-10)9-17(21)13-3-1-2-4-14(13)18-16(17)20/h1-6,10-12,21H,7-9H2,(H,18,20)/t10-,11+,12+,17-/m0/s1
SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@@]4(C5(C[C@@H]([C@H]2[C@H]5OC(=O)C)N3[C@@H]1OC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7N4C)O
InChI: InChI=1S/C30H34N2O6/c1-4-19-20-14-24-30(35)29(21-12-8-9-13-22(21)31(30)3)15-23(25(20)26(29)37-17(2)33)32(24)27(19)38-28(34)36-16-18-10-6-5-7-11-18/h5-13,19-20,23-27,35H,4,14-16H2,1-3H3/t19-,20-,23-,24-,25-,26+,27+,29?,30-/m0/s1
SMILES: CC(=O)OC[C@]12CC[C@@H](C([C@@H]1[C@H]3[C@@H](C=C2)OC(O3)(C)C)C(=O)OC)O
InChI: InChI=1S/C18H26O7/c1-10(19)23-9-18-7-5-11(20)13(16(21)22-4)14(18)15-12(6-8-18)24-17(2,3)25-15/h6,8,11-15,20H,5,7,9H2,1-4H3/t11-,12+,13?,14+,15+,18+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]([C@H]2O)NCC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C21H27NO/c1-20(2)17-11-12-21(20,3)19(23)18(17)22-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17-19,22-23H,11-13H2,1-3H3/t17-,18+,19-,21+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2N)C3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H25ClN4O9S/c1-10(28)32-9-16-17(33-11(2)29)18(34-12(3)30)19(35-13(4)31)21(36-16)37-22-26-25-20(27(22)24)14-5-7-15(23)8-6-14/h5-8,16-19,21H,9,24H2,1-4H3/t16-,17-,18+,19-,21+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC(=C2)O)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H28N2O5/c1-15(26)30-22-20(16-5-8-19(29-4)9-6-16)14-17-13-18(27)7-10-21(17)25(23(22)28)12-11-24(2)3/h5-10,13,20,22,27H,11-12,14H2,1-4H3/t20-,22+/m0/s1
SMILES: C[C@@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(C#CC5=CC=CC=C5)O)C
InChI: InChI=1S/C27H36O/c1-25-16-7-6-10-21(25)11-12-22-23(25)14-17-26(2)24(22)15-19-27(26,28)18-13-20-8-4-3-5-9-20/h3-5,8-9,21-24,28H,6-7,10-12,14-17,19H2,1-2H3/t21-,22-,23+,24-,25-,26-,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CCCC[C@H]34
InChI: InChI=1S/C19H30O/c1-18-11-9-15-14-6-4-3-5-13(14)7-8-16(15)17(18)10-12-19(18,2)20/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
SMILES: CCC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CN=CC=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C39H58FN3O10/c1-11-14-28-39(8)31(42-36(48)53-39)24(4)29(44)22(2)20-37(6,49-18-13-16-26-15-12-17-41-21-26)33(25(5)32(46)38(7,40)35(47)51-28)52-34-30(45)27(43(9)10)19-23(3)50-34/h12-13,15-17,21-25,27-28,30-31,33-34,45H,11,14,18-20H2,1-10H3,(H,42,48)/b16-13+/t22-,23-,24+,25+,27+,28-,30-,31+,33-,34?,37-,38+,39-/m1/s1
SMILES: CCC1=CC2=C(C(=C1)C)C(=O)N([C@@H]3[C@@H]2CNC3)CC4=CC=CC=C4
InChI: InChI=1S/C21H24N2O/c1-3-15-9-14(2)20-17(10-15)18-11-22-12-19(18)23(21(20)24)13-16-7-5-4-6-8-16/h4-10,18-19,22H,3,11-13H2,1-2H3/t18-,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]([C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N2C3=C(C(=NC=N3)Cl)N=C2S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C34H57ClN4O5SSi3/c1-32(2,3)46(10,11)42-25-21-24(27(43-47(12,13)33(4,5)6)28(25)44-48(14,15)34(7,8)9)39-30-26(29(35)36-22-37-30)38-31(39)45(40,41)23-19-17-16-18-20-23/h16-20,22,24-25,27-28H,21H2,1-15H3/t24-,25+,27+,28-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCCCN)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C44H87NO16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-37(46)56-34-36(59-38(47)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-58-63(55,57-33-29-32-45)61-44-41(50)39(48)40(49)43(42(44)51)60-62(52,53)54/h36,39-44,48-51H,3-35,45H2,1-2H3,(H2,52,53,54)/t36-,39-,40-,41+,42+,43+,44-,63?/m0/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)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCCCCCC6
InChI: InChI=1S/C40H41F5N2O4/c1-24-31(22-47-18-5-3-2-4-6-19-47)50-40(51-38(24)28-12-10-25(23-48)11-13-28)29-16-14-27(15-17-29)30-9-7-8-26(20-30)21-46-39(49)32-33(41)35(43)37(45)36(44)34(32)42/h7-17,20,24,31,38,40,48H,2-6,18-19,21-23H2,1H3,(H,46,49)/t24-,31+,38+,40+/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)C(Cl)(Cl)Cl)CSC5=CC=CC=C5OC
InChI: InChI=1S/C35H34Cl3NO5S/c1-22-30(21-45-31-12-4-3-11-29(31)42-2)43-33(44-32(22)25-15-13-23(20-40)14-16-25)28-10-6-9-27(18-28)26-8-5-7-24(17-26)19-39-34(41)35(36,37)38/h3-18,22,30,32-33,40H,19-21H2,1-2H3,(H,39,41)/t22-,30+,32+,33+/m0/s1
SMILES: CCOP(=C(C(=O)OCOC(=O)C(C)(C)C)N1[C@@H]([C@H](C1=O)[C@@H](C)O[Si](C)(C)C)[C@@H](C)C(=O)S[C@@H]2CC(=O)N(C2)[Si](CC)(CC)CC)(CC)OCC
InChI: InChI=1S/C35H65N2O10PSSi2/c1-15-45-48(17-3,46-16-2)31(32(40)43-23-44-34(42)35(9,10)11)37-29(28(30(37)39)25(8)47-50(12,13)14)24(7)33(41)49-26-21-27(38)36(22-26)51(18-4,19-5)20-6/h24-26,28-29H,15-23H2,1-14H3/t24-,25-,26-,28-,29-/m1/s1
SMILES: [2H]C1=C([C@@]2([C@]([C@]([C@]1([2H])O)([2H])O)(OC(O2)(C)C)[2H])[2H])Br
InChI: InChI=1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1/i3D,5D,6D,7D,8D
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N2C(=C(N=N2)C3=CC=CC=C3)C(=O)OC)CO)O)O
InChI: InChI=1S/C18H22N4O7/c1-9(24)19-13-16(26)15(25)11(8-23)29-17(13)22-14(18(27)28-2)12(20-21-22)10-6-4-3-5-7-10/h3-7,11,13,15-17,23,25-26H,8H2,1-2H3,(H,19,24)/t11-,13-,15-,16-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]3[C@]2(O3)C4(CCC4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H35NO4SSi/c1-17-10-12-18(13-11-17)28(24,25)23-16-7-9-19-22(23,26-19)21(14-8-15-21)27-29(5,6)20(2,3)4/h10-13,19H,7-9,14-16H2,1-6H3/t19-,22+/m1/s1
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C30H37IN2O7/c1-4-5-6-27(36)33(17-20-9-7-19(2)8-10-20)24-15-22(30(38)32-11-12-34)16-25(28(24)37)40-29-23(31)13-21(18-35)14-26(29)39-3/h7-10,13-14,16,18,24-25,28,34,37H,4-6,11-12,15,17H2,1-3H3,(H,32,38)/t24-,25+,28+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H](C(O2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C27H22O17/c28-9-1-6(2-10(29)18(9)33)25(39)44-24-16-13(43-27(41)23(24)38)5-42-26(40)8-4-12(31)20(35)22(37)15(8)14-7(17(16)32)3-11(30)19(34)21(14)36/h1-4,13,16,23-24,27-31,33-38,41H,5H2/t13-,16+,23-,24-,27?/m1/s1
SMILES: COC1=C(C(=CC(=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)CCC(=O)O)Cl)O
InChI: InChI=1S/C25H22BrCl3N2O8/c1-39-15-7-10(6-14(27)19(15)34)18-11-2-3-12-17(21(36)30(20(12)35)5-4-16(32)33)13(11)8-24(28)22(37)31(9-26)23(38)25(18,24)29/h2,6-7,12-13,17-18,34H,3-5,8-9H2,1H3,(H,32,33)/t12-,13+,17-,18-,24+,25-/m0/s1
SMILES: CC(C)CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=NC#N)CCC(C)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI: InChI=1S/C30H42N4O2/c1-22(2)15-17-33-26(19-24-11-7-5-8-12-24)28(35)29(36)27(20-25-13-9-6-10-14-25)34(18-16-23(3)4)30(33)32-21-31/h5-14,22-23,26-29,35-36H,15-20H2,1-4H3/t26-,27-,28+,29+/m1/s1
SMILES: C[C@]12CCCC([C@H]1CC[C@]([C@H]2CC[C@@](C)(C=C)O)(C)O)(C)C
InChI: InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,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)OC)O)OC)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)Cl
InChI: InChI=1S/C30H26Cl2N2O10/c1-33-27(41)29(31)11-17-14(22(30(29,32)28(33)42)12-8-19(43-2)23(36)20(9-12)44-3)6-7-16-21(17)25(38)34(24(16)37)13-4-5-15(26(39)40)18(35)10-13/h4-6,8-10,16-17,21-22,35-36H,7,11H2,1-3H3,(H,39,40)/t16-,17+,21-,22-,29+,30-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)OCCCC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C19H24O6/c1-14(20)23-13-18-17(24-15(2)21)10-11-19(25-18)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,17-19H,6,9,12-13H2,1-2H3/t17-,18+,19-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4[NH+]2CCC4)C(=O)N(C3=O)C5=C(C=C(C=C5)C)C
InChI: InChI=1S/C25H26N2O3/c1-14-6-9-17(10-7-14)23(28)22-21-20(19-5-4-12-26(19)22)24(29)27(25(21)30)18-11-8-15(2)13-16(18)3/h6-11,13,19-22H,4-5,12H2,1-3H3/p+1/t19-,20-,21+,22+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2C3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C
InChI: InChI=1S/C15H18O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-10,18H,4H2,1-3H3/t6-,7+,8-,9-,10?,13-,14-,15+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(/C=C\CO)O)C5=CC=C(C=C5)N6CCCCC6
InChI: InChI=1S/C32H41NO3/c1-31-21-28(22-6-9-24(10-7-22)33-17-3-2-4-18-33)30-26-13-11-25(35)20-23(26)8-12-27(30)29(31)14-16-32(31,36)15-5-19-34/h5-7,9-10,15,20,27-29,34,36H,2-4,8,11-14,16-19,21H2,1H3/b15-5-/t27-,28+,29-,31-,32-/m0/s1
SMILES: CC1=CC(=O)C[C@]2([C@@H]1[C@@H]([C@@H](CC2)C(C)C)OC(=O)C)CO
InChI: InChI=1S/C17H26O4/c1-10(2)14-5-6-17(9-18)8-13(20)7-11(3)15(17)16(14)21-12(4)19/h7,10,14-16,18H,5-6,8-9H2,1-4H3/t14-,15-,16+,17-/m0/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(Cl)(Cl)Cl)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
InChI: InChI=1S/C33H35Cl3N4O5/c1-20-28(18-39-16-14-25(15-17-39)40-27-5-3-2-4-26(27)38-32(40)43)44-30(45-29(20)22-8-6-21(19-41)7-9-22)23-10-12-24(13-11-23)37-31(42)33(34,35)36/h2-13,20,25,28-30,41H,14-19H2,1H3,(H,37,42)(H,38,43)/t20-,28+,29+,30+/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C39H49N3O8/c1-25-33(23-42-20-10-15-32(42)36(45)50-39(2,3)4)48-37(49-34(25)28-18-16-27(24-43)17-19-28)29-13-9-14-30(22-29)40-38(46)41-31(35(44)47-5)21-26-11-7-6-8-12-26/h6-9,11-14,16-19,22,25,31-34,37,43H,10,15,20-21,23-24H2,1-5H3,(H2,40,41,46)/t25-,31+,32+,33+,34+,37+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C50H53N3O6/c1-33-46(31-53(3)34(2)40-25-24-38-15-8-9-16-42(38)28-40)58-49(59-47(33)39-22-20-36(32-54)21-23-39)44-19-11-18-43(29-44)41-17-10-14-37(26-41)30-51-50(56)52-45(48(55)57-4)27-35-12-6-5-7-13-35/h5-26,28-29,33-34,45-47,49,54H,27,30-32H2,1-4H3,(H2,51,52,56)/t33-,34-,45+,46+,47+,49+/m1/s1
SMILES: C[C@@H]1C[C@H](O[C@@H]1[C@@H](C)CC2OCCCO2)CCOC(=O)C(C)(C)C
InChI: InChI=1S/C19H34O5/c1-13-11-15(7-10-23-18(20)19(3,4)5)24-17(13)14(2)12-16-21-8-6-9-22-16/h13-17H,6-12H2,1-5H3/t13-,14+,15-,17+/m1/s1
SMILES: CCOC(=O)C[C@H]1CC[C@@H]2C[C@]3([C@@H](CC[C@@H]3OC(=O)C)C[C@H]2C1)C
InChI: InChI=1S/C20H32O4/c1-4-23-19(22)10-14-5-6-15-12-20(3)17(11-16(15)9-14)7-8-18(20)24-13(2)21/h14-18H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/C(=C/2\CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CCC(=C5)OC)C)C)/[N+]#[C-]
InChI: InChI=1S/C29H35NO3S/c1-19-6-9-22(10-7-19)34(31,32)27(30-4)26-13-12-24-23-11-8-20-18-21(33-5)14-16-28(20,2)25(23)15-17-29(24,26)3/h6-10,18,23-25H,11-17H2,1-3,5H3/b27-26+/t23-,24-,25-,28-,29-/m0/s1
SMILES: CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3C(=O)CC4
InChI: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12-,17-,18+/m1/s1
SMILES: C1COCCN1CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4[C@H]6[C@@H]5C(=O)N(C6=O)CN7CCOCC7
InChI: InChI=1S/C24H30N4O6/c29-21-17-13-1-2-14(18(17)22(30)27(21)11-25-3-7-33-8-4-25)16-15(13)19-20(16)24(32)28(23(19)31)12-26-5-9-34-10-6-26/h1-2,13-20H,3-12H2/t13-,14+,15+,16-,17-,18-,19+,20-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)O
InChI: InChI=1S/C19H25FN2O3/c20-15-5-3-4-14(12-15)13-21-8-10-22(11-9-21)18(23)16-6-1-2-7-17(16)19(24)25/h3-5,12,16-17H,1-2,6-11,13H2,(H,24,25)/t16-,17+/m1/s1
SMILES: CC[C@]12CC(=C3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC)C(=O)OC
InChI: InChI=1S/C22H28O4/c1-4-22-12-17(21(24)26-3)20-15-8-6-14(25-2)11-13(15)5-7-16(20)18(22)9-10-19(22)23/h6,8,11,16,18-19,23H,4-5,7,9-10,12H2,1-3H3/t16-,18-,19-,22-/m0/s1
SMILES: C1CCC(CC1)CN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)CC4CCCC4
InChI: InChI=1S/C29H41IN2O5/c30-23-12-6-7-13-25(23)37-26-18-22(29(36)31-14-15-33)17-24(28(26)35)32(19-21-10-2-1-3-11-21)27(34)16-20-8-4-5-9-20/h6-7,12-13,18,20-21,24,26,28,33,35H,1-5,8-11,14-17,19H2,(H,31,36)/t24-,26+,28+/m1/s1
SMILES: C[C@H](C(C[C@@H]1C[C@@H]([C@@H]([C@@](O1)(C(C)(C)CO[Si](C)(C)C(C)(C)C)OC)O)O)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C35H56O8Si/c1-25(40-22-26-14-12-11-13-15-26)31(41-23-27-16-18-28(38-7)19-17-27)21-29-20-30(36)32(37)35(39-8,43-29)34(5,6)24-42-44(9,10)33(2,3)4/h11-19,25,29-32,36-37H,20-24H2,1-10H3/t25-,29+,30+,31?,32+,35-/m1/s1
SMILES: C1=CC=C2C(=C1)C3([C@@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=C(C=CC(=C6)[N+](=O)[O-])Cl)Br
InChI: InChI=1S/C24H13Br2ClN2O4/c25-23-13-5-1-2-6-14(13)24(26,16-8-4-3-7-15(16)23)20-19(23)21(30)28(22(20)31)18-11-12(29(32)33)9-10-17(18)27/h1-11,19-20H/t19-,20+,23?,24?
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O
InChI: InChI=1S/C20H20N2O2/c23-18(21-16-10-12-7-8-14(16)9-12)11-22-17-6-2-4-13-3-1-5-15(19(13)17)20(22)24/h1-6,12,14,16H,7-11H2,(H,21,23)/t12-,14+,16-/m0/s1
SMILES: COC1=NC(=NC2=C1[C@@H]3[C@@H](CON3C(CN2CC4=CC=CC=C4)CC(=O)OC)S(=O)(=O)C5=CC=CC=C5)OC
InChI: InChI=1S/C27H30N4O7S/c1-35-22(32)14-19-16-30(15-18-10-6-4-7-11-18)25-23(26(36-2)29-27(28-25)37-3)24-21(17-38-31(19)24)39(33,34)20-12-8-5-9-13-20/h4-13,19,21,24H,14-17H2,1-3H3/t19?,21-,24+/m1/s1
SMILES: C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C
InChI: InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1
SMILES: CC(=O)O[C@@H]1C=C[C@@]23[C@@H]([C@@]1(C(=O)O2)C)[C@@H](C4=C[C@H]5CC[C@@]34CC5=C)CO
InChI: InChI=1S/C21H24O5/c1-11-9-20-6-4-13(11)8-15(20)14(10-22)17-19(3)16(25-12(2)23)5-7-21(17,20)26-18(19)24/h5,7-8,13-14,16-17,22H,1,4,6,9-10H2,2-3H3/t13-,14-,16-,17-,19-,20+,21+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC/C(=N\O)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)/C=N/O
InChI: InChI=1S/C30H48N2O2/c1-19(2)20-10-15-30(18-31-33)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32-34)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25,33-34H,1,8-17H2,2-7H3/b31-18+,32-24+/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
SMILES: C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;1-,2-/m01/s1
SMILES: CC1=C(C=C(C=C1)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=C(C(=CC=C6)OC)O)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)Cl
InChI: InChI=1S/C34H22Cl3F5N2O6/c1-12-6-7-13(10-18(12)35)43-29(46)15-9-8-14-17(20(15)30(43)47)11-33(36)31(48)44(27-25(41)23(39)22(38)24(40)26(27)42)32(49)34(33,37)21(14)16-4-3-5-19(50-2)28(16)45/h3-8,10,15,17,20-21,45H,9,11H2,1-2H3/t15-,17+,20-,21+,33+,34-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)NCCC3=CC=C(C=C3)F
InChI: InChI=1S/C17H20FNO3/c18-13-5-1-10(2-6-13)7-8-19-16(20)14-11-3-4-12(9-11)15(14)17(21)22/h1-2,5-6,11-12,14-15H,3-4,7-9H2,(H,19,20)(H,21,22)/p-1/t11-,12+,14-,15+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC2=CC=CC=C2)[C@H]3C(=O)C=C([C@](O3)(CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)Br)C7=CC=CC=C7
InChI: InChI=1S/C48H52BrNO12/c1-31-40(35-22-13-6-14-23-35)61-47(54)50(31)45(53)36(26-32-16-7-3-8-17-32)41-37(52)27-39(49)48(55,62-41)24-15-25-57-44-43(59-30-34-20-11-5-12-21-34)42(38(28-51)60-46(44)56-2)58-29-33-18-9-4-10-19-33/h3-14,16-23,27,31,36,38,40-44,46,51,55H,15,24-26,28-30H2,1-2H3/t31-,36-,38+,40-,41-,42+,43-,44-,46-,48+/m0/s1
SMILES: C[C@H]1[C@@H](CC[C@@H](N1C(=O)OCC=C)CCC[C@H](COC(=O)C(C)(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C29H55NO6Si/c1-12-18-34-28(33)30-23(8)26(36-37(20(2)3,21(4)5)22(6)7)17-16-24(30)14-13-15-25(31)19-35-27(32)29(9,10)11/h12,20-26,31H,1,13-19H2,2-11H3/t23-,24-,25+,26+/m0/s1
SMILES: C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)NC(=O)C3=NC=CC4=CC=CC=C43)C(=O)N[C@H]5CC(=O)O[C@H]5OCCCCO[N+](=O)[O-]
InChI: InChI=1S/C28H32N6O10/c35-22-10-9-19(30-26(38)24-18-7-2-1-6-17(18)11-12-29-24)27(39)33-21(8-5-13-32(22)33)25(37)31-20-16-23(36)44-28(20)42-14-3-4-15-43-34(40)41/h1-2,6-7,11-12,19-21,28H,3-5,8-10,13-16H2,(H,30,38)(H,31,37)/t19-,20-,21-,28+/m0/s1
SMILES: CC1=C(C(=CC=C1)N(CC2=NC=CN2)[C@H]3[C@@H]([C@@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O)C
InChI: InChI=1S/C25H30N4O6/c1-15-7-6-8-19(16(15)2)28(14-21-26-11-12-27-21)22-18-13-17(29(31)32)9-10-20(18)35-25(3,23(22)30)24(33-4)34-5/h6-13,22-24,30H,14H2,1-5H3,(H,26,27)/t22-,23+,25+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@H](C1)C3=C(C2(C)C)C(=C(C(=C3)C)O)C
InChI: InChI=1S/C18H26O/c1-10-6-7-15-13(8-10)14-9-11(2)17(19)12(3)16(14)18(15,4)5/h9-10,13,15,19H,6-8H2,1-5H3/t10-,13+,15-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=C(C=C2)N(C)CCO)/C#N
InChI: InChI=1S/C20H27N3O2/c1-15-5-3-4-6-19(15)22-20(25)17(14-21)13-16-7-9-18(10-8-16)23(2)11-12-24/h7-10,13,15,19,24H,3-6,11-12H2,1-2H3,(H,22,25)/b17-13+/t15-,19-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC
InChI: InChI=1S/C37H47NO14/c1-14-31(46-7)37(4,48-9)32(47-8)34(49-14)50-19-13-35(2,45)12-15-10-16-21(26(41)20(15)19)27(42)22-18(39)11-17-29(23(22)25(16)40)51-33-28(43)24(38(5)6)30(44)36(17,3)52-33/h10-11,14,19,24,28,30-34,39,41,43-45H,12-13H2,1-9H3/t14-,19-,24-,28-,30+,31-,32-,33+,34-,35+,36+,37+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(=C)C2=CC3=C(C=C2)OCO3)CCCO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H36O5Si/c1-16(17-11-12-18-20(14-17)25-15-24-18)21-19(27-23(5,6)28-21)10-9-13-26-29(7,8)22(2,3)4/h11-12,14,19,21H,1,9-10,13,15H2,2-8H3/t19-,21-/m0/s1
SMILES: CCS[C@H]1C(=O)N2CCC3=CC(=C(C=C3[C@@H]2[C@]1(C)C4=CC=CC=C4)OC)OC
InChI: InChI=1S/C23H27NO3S/c1-5-28-21-22(25)24-12-11-15-13-18(26-3)19(27-4)14-17(15)20(24)23(21,2)16-9-7-6-8-10-16/h6-10,13-14,20-21H,5,11-12H2,1-4H3/t20-,21+,23+/m1/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H]([C@H](N2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H18F2N2O3/c23-13-5-3-12(4-6-13)20(27)19-18-17(16-2-1-11-25(16)19)21(28)26(22(18)29)15-9-7-14(24)8-10-15/h3-10,16-19H,1-2,11H2/t16-,17-,18+,19+/m1/s1
SMILES: CCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C17H27NO9/c1-6-7-23-17-14(18-9(2)19)16(26-12(5)22)15(25-11(4)21)13(27-17)8-24-10(3)20/h13-17H,6-8H2,1-5H3,(H,18,19)/t13-,14+,15+,16-,17-/m0/s1
SMILES: COC1=C2C=CC=C(C2=C(C=C1)[C@@H]3[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
InChI: InChI=1S/C38H32O9/c1-42-29-22-21-28(32-27(29)19-12-20-30(32)43-2)33-35(47-38(41)26-17-10-5-11-18-26)34(46-37(40)25-15-8-4-9-16-25)31(45-33)23-44-36(39)24-13-6-3-7-14-24/h3-22,31,33-35H,23H2,1-2H3/t31-,33-,34-,35+/m1/s1
SMILES: C1[C@H]([C@@H]1C2(C(=O)NC(=O)N2)CC3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)O
InChI: InChI=1S/C21H18N2O5/c24-18(25)13-9-15(13)21(19(26)22-20(27)23-21)10-14-11-5-1-3-7-16(11)28-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10H2,(H,24,25)(H2,22,23,26,27)/t13-,15-,21?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCCC[C@@H]1CO[C@H](O[C@H]1C=O)C2=CC=CC=C2
InChI: InChI=1S/C20H32O4Si/c1-20(2,3)25(4,5)23-13-9-12-17-15-22-19(24-18(17)14-21)16-10-7-6-8-11-16/h6-8,10-11,14,17-19H,9,12-13,15H2,1-5H3/t17-,18+,19-/m1/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=C(C=C(C=C2)Cl)F)C(=O)[O-]
InChI: InChI=1S/C14H13ClFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)/p-1/t9-,10-/m1/s1
SMILES: CC1=C(SC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])CCOC(=O)C
InChI: InChI=1S/C22H24N6O7S3/c1-10-14(4-5-35-11(2)29)38-9-27(10)6-12-7-36-20-16(19(31)28(20)17(12)21(32)33)25-18(30)15(26-34-3)13-8-37-22(23)24-13/h8-9,16,20H,4-7H2,1-3H3,(H3-,23,24,25,30,32,33)/b26-15-/t16-,20-/m1/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)C)N(C1)C
InChI: InChI=1S/C21H30N4O/c1-5-25(6-2)21(26)23-14-10-17-15-8-7-9-18-20(15)16(13(3)22-18)11-19(17)24(4)12-14/h7-9,14,17,19,22H,5-6,10-12H2,1-4H3,(H,23,26)/t14-,17+,19+/m0/s1
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)CNC(=O)[C@@H]2CCC[C@H]2C(=O)NCC3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C22H25Cl2N3O4S/c1-32(30,31)27-18-7-5-14(6-8-18)12-25-21(28)19-3-2-4-20(19)22(29)26-13-15-9-16(23)11-17(24)10-15/h5-11,19-20,27H,2-4,12-13H2,1H3,(H,25,28)(H,26,29)/t19-,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C18H20N4O3S/c1-11-6-4-5-9-18(11)15(24)22(17(25)21-18)10-14(23)20-16-19-12-7-2-3-8-13(12)26-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,25)(H,19,20,23)/t11-,18+/m1/s1
SMILES: CC1=C2[C@H]([C@@H](CC[C@]2(C=CC1=O)C)[C@H](C)C(=O)NC)O
InChI: InChI=1S/C16H23NO3/c1-9(15(20)17-4)11-5-7-16(3)8-6-12(18)10(2)13(16)14(11)19/h6,8-9,11,14,19H,5,7H2,1-4H3,(H,17,20)/t9-,11-,14-,16-/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](CC[C@@H](O1)[C@@H](CC[C@@H](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCOC)OCOC)OCOC.[I-]
InChI: InChI=1S/C49H76O7P.HI/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-48-47(55-41-52-4)35-36-49(56-48)46(54-40-51-3)34-33-42(53-39-50-2)37-38-57(43-26-19-16-20-27-43,44-28-21-17-22-29-44)45-30-23-18-24-31-45;/h16-24,26-31,42,46-49H,5-15,25,32-41H2,1-4H3;1H/q+1;/p-1/t42-,46+,47+,48+,49+;/m0./s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H20ClN3O6/c1-10-4-2-3-5-13(10)19-17(24)20-15(22)9-27-16(23)11-6-7-12(18)14(8-11)21(25)26/h6-8,10,13H,2-5,9H2,1H3,(H2,19,20,22,24)/t10-,13+/m1/s1
SMILES: C[C@]12C[C@@]3(CC4=CC=CC=C4C3=O)[C@H](O1)C(=O)C25CC5
InChI: InChI=1S/C17H16O3/c1-15-9-16(14(20-15)13(19)17(15)6-7-17)8-10-4-2-3-5-11(10)12(16)18/h2-5,14H,6-9H2,1H3/t14-,15-,16-/m1/s1