EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1C/C=C/[C@H]2C(C(=C)C([C@@H]3[C@]2(C(=O)N[C@H]3CC4=CC=CC=C4)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)O
InChI: InChI=1S/C28H33NO7/c1-16-9-8-12-20-23(30)18(3)17(2)22-21(15-19-10-6-5-7-11-19)29-25(32)28(20,22)36-26(33)35-14-13-27(4,34)24(16)31/h5-8,10-14,16-17,20-23,30,34H,3,9,15H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t16-,17?,20-,21-,22-,23?,27+,28+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CBr)O)C
InChI: InChI=1S/C21H29BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3C2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
InChI: InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30?/m0/s1
SMILES: CC(=CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C)C
InChI: InChI=1S/C17H28O6/c1-10(2)7-8-18-13-12(11-9-19-16(3,4)21-11)20-15-14(13)22-17(5,6)23-15/h7,11-15H,8-9H2,1-6H3/t11-,12+,13-,14+,15+/m0/s1
SMILES: CC(=O)[C@@H]1C[C@@H](N[C@@H]1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C14H16N2O5/c1-8(17)10-7-11(14(18)21-2)15-13(10)9-5-3-4-6-12(9)16(19)20/h3-6,10-11,13,15H,7H2,1-2H3/t10-,11+,13+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](CC3=CC=CC=C23)OC(=O)[C@@H]([C@@H](CC(C)C)O)Cl
InChI: InChI=1S/C23H28ClNO5S/c1-14(2)12-19(26)21(24)23(27)30-20-13-16-6-4-5-7-18(16)22(20)25-31(28,29)17-10-8-15(3)9-11-17/h4-11,14,19-22,25-26H,12-13H2,1-3H3/t19-,20+,21-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC(CCC=C)[C@H]1[C@@H](N1CC=C)C2=CC=CC=C2
InChI: InChI=1S/C22H35NOSi/c1-8-10-16-19(24-25(6,7)22(3,4)5)21-20(23(21)17-9-2)18-14-12-11-13-15-18/h8-9,11-15,19-21H,1-2,10,16-17H2,3-7H3/t19?,20-,21-,23?/m0/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)OC)O
InChI: InChI=1S/C24H26N4O2/c1-23(2,3)14-8-9-15-17(10-14)20(16-6-5-7-19(30-4)21(16)29)24(12-26,13-27)22(28)18(15)11-25/h5-7,9,14,17,20,29H,8,10,28H2,1-4H3/t14-,17+,20-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]([C@H]2[C@@H](O2)C3=CC(=CC=C3)OC4=CC=CC=C4)O
InChI: InChI=1S/C21H18O3/c22-19(15-8-3-1-4-9-15)21-20(24-21)16-10-7-13-18(14-16)23-17-11-5-2-6-12-17/h1-14,19-22H/t19-,20-,21-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m0/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)OC(=O)C)C)C)[C@H]([C@H]([C@H](C)C(C)C)Br)O
InChI: InChI=1S/C30H49BrO3/c1-17(2)18(3)27(31)28(33)19(4)24-10-11-25-23-9-8-21-16-22(34-20(5)32)12-14-29(21,6)26(23)13-15-30(24,25)7/h8,17-19,22-28,33H,9-16H2,1-7H3/t18-,19+,22+,23+,24-,25+,26+,27+,28-,29+,30-/m1/s1
SMILES: C/C/1=C\CC/C(=C/C[C@]2(CC(=O)C(=C(C)C)[C@@H]2CC1)C)/C
InChI: InChI=1S/C20H30O/c1-14(2)19-17-10-9-15(3)7-6-8-16(4)11-12-20(17,5)13-18(19)21/h7,11,17H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,20-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
InChI: InChI=1S/C8H19O15P3/c1-2-20-6-3(9)5(21-24(11,12)13)4(10)7(22-25(14,15)16)8(6)23-26(17,18)19/h3-10H,2H2,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t3-,4-,5+,6-,7+,8+/m0/s1
SMILES: C/1CN2[C@H](COC2=O)[C@H]([C@@H](/C=C1)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C23H25NO4/c25-23-24-14-8-7-13-21(26-15-18-9-3-1-4-10-18)22(20(24)17-28-23)27-16-19-11-5-2-6-12-19/h1-7,9-13,20-22H,8,14-17H2/b13-7-/t20-,21-,22-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)F)C)C
InChI: InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H21N3O4/c22-15(19-20-16(23)12-6-2-1-3-7-12)10-11-21-17(24)13-8-4-5-9-14(13)18(21)25/h1-3,6-7,13-14H,4-5,8-11H2,(H,19,22)(H,20,23)/t13-,14-/m0/s1
SMILES: CC12CC[C@H]3[C@H](C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CC[C@H](C5)O)C=NNC(=O)C6=CC=C(C=C6)N(C)C)O
InChI: InChI=1S/C32H43N3O6/c1-29-12-9-25-26(32(29,40)15-11-24(29)21-16-27(37)41-18-21)10-14-31(39)17-23(36)8-13-30(25,31)19-33-34-28(38)20-4-6-22(7-5-20)35(2)3/h4-7,16,19,23-26,36,39-40H,8-15,17-18H2,1-3H3,(H,34,38)/t23-,24?,25+,26-,29?,30?,31?,32?/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H]([C@H]([C@H]1O)O)O)[Se]C2=CC=CC=C2
InChI: InChI=1S/C17H25NO5Se/c1-17(2,3)23-16(22)18-11-9-12(14(20)15(21)13(11)19)24-10-7-5-4-6-8-10/h4-8,11-15,19-21H,9H2,1-3H3,(H,18,22)/t11-,12-,13-,14+,15-/m0/s1
SMILES: CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC(=C(C=C3)OC)O)C(=O)OC4CCCC4
InChI: InChI=1S/C23H27NO5/c1-13-20(23(27)29-15-6-3-4-7-15)21(14-10-11-19(28-2)18(26)12-14)22-16(24-13)8-5-9-17(22)25/h10-12,15,21-22,26H,3-9H2,1-2H3/t21-,22-/m0/s1
SMILES: C1C[C@@]2(O[C@@H]([C@H]([C@@H]1O)O2)CCCC/C=C/C(=O)O)CCCCCCCCCCCCCCCOCC(CO)N
InChI: InChI=1S/C31H57NO7/c32-26(24-33)25-37-23-17-13-9-7-5-3-1-2-4-6-8-12-16-21-31-22-20-27(34)30(39-31)28(38-31)18-14-10-11-15-19-29(35)36/h15,19,26-28,30,33-34H,1-14,16-18,20-25,32H2,(H,35,36)/b19-15+/t26?,27-,28-,30+,31-/m1/s1
SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
SMILES: CNC(=O)[C@]1(CC2=C(C=CC(=C2)[N+](=O)[O-])N3[C@H]1CN(CC3)C)C(=O)O
InChI: InChI=1S/C16H20N4O5/c1-17-14(21)16(15(22)23)8-10-7-11(20(24)25)3-4-12(10)19-6-5-18(2)9-13(16)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,21)(H,22,23)/t13-,16+/m0/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C25H17N3O5/c29-23(13-6-5-7-14(12-13)28(32)33)26-27-24(30)21-19-15-8-1-2-9-16(15)20(22(21)25(27)31)18-11-4-3-10-17(18)19/h1-12,19-22H,(H,26,29)/t19?,20?,21-,22-/m0/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)CC=C)NS(=O)(=O)C2=CC=CC=C2)C
InChI: InChI=1S/C15H21NO4S/c1-4-8-14-13(11-19-15(2,3)20-14)16-21(17,18)12-9-6-5-7-10-12/h4-7,9-10,13-14,16H,1,8,11H2,2-3H3/t13-,14-/m0/s1
SMILES: CC(C)[C@H]1[C@H](N([C@@H](CCN1N=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI: InChI=1S/C20H24N4O2/c1-15(2)19-20(17-11-7-4-8-12-17)24(22-26)18(13-14-23(19)21-25)16-9-5-3-6-10-16/h3-12,15,18-20H,13-14H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(OCC=C)OC(C6=CC(=CC(=C6)OC)OC)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C50H51N2O13P/c1-7-26-62-66(56,65-47(46(53)34-14-10-8-11-15-34)35-27-41(59-5)29-42(28-35)60-6)64-43-30-45(52-31-33(2)48(54)51-49(52)55)63-44(43)32-61-50(36-16-12-9-13-17-36,37-18-22-39(57-3)23-19-37)38-20-24-40(58-4)25-21-38/h7-25,27-29,31,43-45,47H,1,26,30,32H2,2-6H3,(H,51,54,55)/t43-,44+,45+,47?,66?/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)CC3=CC=C(C=C3)F
InChI: InChI=1S/C17H17FN2O2/c1-11-8-15(11)16-7-6-14(22-16)10-19-20-17(21)9-12-2-4-13(18)5-3-12/h2-7,10-11,15H,8-9H2,1H3,(H,20,21)/b19-10-/t11-,15-/m0/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1O)O)O)N2C3=NC=NC(=C3C=N2)N
InChI: InChI=1S/C10H13N5O3/c11-9-4-2-14-15(10(4)13-3-12-9)5-1-6(16)8(18)7(5)17/h2-3,5-8,16-18H,1H2,(H2,11,12,13)/t5-,6+,7+,8-/m0/s1
SMILES: C[C@H]1[C@H](C(=C)OCCN1S(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=CC=C3
InChI: InChI=1S/C21H25NO4S/c1-16-9-11-20(12-10-16)27(23,24)22-13-14-25-18(3)21(17(22)2)26-15-19-7-5-4-6-8-19/h4-12,17,21H,3,13-15H2,1-2H3/t17-,21+/m0/s1
SMILES: C[C@]12CC[C@H](C(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)O
InChI: InChI=1S/C15H20O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15-/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC(=C6)Cl)Cl)Br
InChI: InChI=1S/C28H19BrCl2N2O4/c1-37-21-7-6-15(10-20(21)29)26(34)25-23-22(24-19-5-3-2-4-14(19)8-9-32(24)25)27(35)33(28(23)36)18-12-16(30)11-17(31)13-18/h2-13,22-25H,1H3/t22-,23+,24+,25-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3C)(CC4=CC=C(C=C4)O)C(=O)OC
InChI: InChI=1S/C24H26N2O5/c1-4-26-21(28)18-19(22(26)29)24(23(30)31-3,13-15-9-11-16(27)12-10-15)25-20(18)17-8-6-5-7-14(17)2/h5-12,18-20,25,27H,4,13H2,1-3H3/p+1/t18-,19+,20+,24-/m1/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+](C)CC4=CC=CC=C4)C
InChI: InChI=1S/C23H29NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,8-10,12,18-19,21H,7,11,13-15H2,1-3H3/p+1/t18-,19+,21-,23-/m1/s1
SMILES: C1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H19F3N2O2/c22-21(23,24)20(28)17-8-4-5-9-18(17)25-26(20)19(27)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17,28H,4-5,8-9H2/t17-,20-/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)N)CCCN3
InChI: InChI=1S/C19H22N2O/c1-22-14-8-9-15-17(11-14)18(12-4-6-13(20)7-5-12)16-3-2-10-21-19(15)16/h4-9,11,16,18-19,21H,2-3,10,20H2,1H3/t16-,18+,19+/m0/s1
SMILES: C[C@@]12CC[C@]34CCC([C@H]([C@H]3[C@H]1CC[C@@H]5[C@@]2(CC[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)OC4)(C)C
InChI: InChI=1S/C30H48O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24H,8-18H2,1-7H3/t19-,20+,21+,23-,24+,27+,28-,29+,30+/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3
InChI: InChI=1S/C21H22N4O2/c1-3-24(4-2)16-10-8-15(9-11-16)18-17(14-22)20(26)23-21(27)19(18)25-12-6-5-7-13-25/h5-13,18-19H,3-4H2,1-2H3,(H-,23,26,27)/p+1/t18-,19-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-13-7-6-8-17(14(13)2)22-21(24)15(3)27-20(23)12-16-9-10-18(25-4)19(11-16)26-5/h9-11,13-15,17H,6-8,12H2,1-5H3,(H,22,24)/t13-,14+,15+,17+/m0/s1
SMILES: C[C@]12[C@@H]3CCC(=C)[C@@H]3[C@@H]4[C@@H](CC1O2)C(=C)C(=O)O4
InChI: InChI=1S/C15H18O3/c1-7-4-5-10-12(7)13-9(8(2)14(16)17-13)6-11-15(10,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10+,11?,12-,13-,15-/m0/s1
SMILES: CC1([C@H]([C@H]2CC[C@]3(C2)[C@H]1C(=O)C=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C20H24O2/c1-19(2)17-16(21)9-11-20(17)10-8-15(12-20)18(19)22-13-14-6-4-3-5-7-14/h3-7,9,11,15,17-18H,8,10,12-13H2,1-2H3/t15-,17-,18-,20-/m0/s1
SMILES: CN1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@H]2COCC4)C(=O)NC1=O
InChI: InChI=1S/C16H17N3O4/c1-18-14(21)16(13(20)17-15(18)22)8-10-4-2-3-5-11(10)19-6-7-23-9-12(16)19/h2-5,12H,6-9H2,1H3,(H,17,20,22)/t12-,16+/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@@H](C2[C@]3(C=CC(=O)[C@](C3=C(C(=O)[C@]2([C@]45[C@@]1([C@@H](C[C@H]4O5)C6=COC=C6)C)C)O)(C)C(=O)OC)C)O
InChI: InChI=1S/C31H36O10/c1-14(2)25(36)40-24-20(34)22-27(3)10-8-17(32)28(4,26(37)38-7)21(27)19(33)23(35)30(22,6)31-18(41-31)12-16(29(24,31)5)15-9-11-39-13-15/h8-11,13-14,16,18,20,22,24,33-34H,12H2,1-7H3/t16-,18+,20+,22?,24-,27-,28-,29+,30-,31+/m0/s1
SMILES: CCCC[C@@H](CC)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC(=C3)C)ON1C4=CC=CC=C4
InChI: InChI=1S/C25H30N2O3/c1-4-6-12-18(5-2)22-21-23(30-27(22)19-13-8-7-9-14-19)25(29)26(24(21)28)20-15-10-11-17(3)16-20/h7-11,13-16,18,21-23H,4-6,12H2,1-3H3/t18-,21-,22+,23+/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C42H29Cl2F9N4O7/c1-63-23-13-29(58)32(30(14-23)64-2)33-24-7-8-25-31(37(61)56(35(25)59)22-10-18(40(45,46)47)9-19(11-22)41(48,49)50)26(24)15-27-36(60)57(38(62)39(27,33)17-3-5-21(43)6-4-17)55-34-28(44)12-20(16-54-34)42(51,52)53/h3-7,9-14,16,25-27,31,33,58H,8,15H2,1-2H3,(H,54,55)/t25-,26+,27-,31-,33+,39+/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C=C(Cl)Cl)C
InChI: InChI=1S/C15H14Cl2F3NO/c1-14(2)10(7-11(16)17)12(14)13(22)21-9-5-3-8(4-6-9)15(18,19)20/h3-7,10,12H,1-2H3,(H,21,22)/t10-,12-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C56H57N5O11/c1-35(2)46(52(65)69-3)58-55(68)60-44-25-20-36(13-10-11-28-62)33-43(44)56(54(60)67)45(51(64)57-40-21-23-41(24-22-40)59-26-30-70-31-27-59)48-53(66)72-49(38-16-8-5-9-17-38)47(37-14-6-4-7-15-37)61(48)50(56)39-18-12-19-42(34-39)71-32-29-63/h4-9,12,14-25,33-35,45-50,62-63H,11,26-32H2,1-3H3,(H,57,64)(H,58,68)/t45-,46+,47-,48-,49+,50+,56-/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)OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)Cl
InChI: InChI=1S/C39H36Cl2N2O8/c1-42-36(47)38(40)21-30-28(33(39(38,41)37(42)48)23-8-12-26(13-9-23)51-19-18-44)15-16-29-32(30)35(46)43(34(29)45)25-10-5-22(6-11-25)4-7-24-20-27(49-2)14-17-31(24)50-3/h4-15,17,20,29-30,32-33,44H,16,18-19,21H2,1-3H3/t29-,30+,32-,33-,38+,39-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Cl)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C28H35ClO8Si/c1-18(30)34-24-23(37-27(29)26(36-20(3)32)25(24)35-19(2)31)17-33-38(28(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17H2,1-6H3/t23-,24+,25+,26-,27+/m1/s1
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)C5=CC=CC=C5
InChI: InChI=1S/C23H23N5O6/c1-2-31-22(29)15-9-6-10-16(11-15)24-23(30)34-18-13-33-19-17(12-32-20(18)19)28-21(25-26-27-28)14-7-4-3-5-8-14/h3-11,17-20H,2,12-13H2,1H3,(H,24,30)/t17-,18+,19+,20+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-])O
InChI: InChI=1S/C40H32ClFN4O8/c1-2-54-33-19-21(3-18-32(33)47)35-28-16-17-29-34(38(50)44(36(29)48)26-12-14-27(15-13-26)46(52)53)30(28)20-31-37(49)45(43-25-10-8-24(42)9-11-25)39(51)40(31,35)22-4-6-23(41)7-5-22/h3-16,18-19,29-31,34-35,43,47H,2,17,20H2,1H3/t29-,30+,31-,34-,35-,40+/m0/s1
SMILES: C[C@@H]1C[C@H](O[C@H]1/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)/C)CCC(=O)/C(=C/C=C(\C)/C(=C)[C@@H]2CCC(=O)O2)/C
InChI: InChI=1S/C33H54O5Si/c1-21(2)39(22(3)4,23(5)6)36-19-18-26(9)33-27(10)20-29(37-33)14-15-30(34)25(8)13-12-24(7)28(11)31-16-17-32(35)38-31/h12-13,18,21-23,27,29,31,33H,11,14-17,19-20H2,1-10H3/b24-12+,25-13+,26-18+/t27-,29-,31+,33+/m1/s1
SMILES: CC(=O)C1=CN2[C@@H](C=C1)[C@@]([C@@H]([C@H]2C(=O)N)C3=COC=C3)(C#N)C(=O)OC
InChI: InChI=1S/C18H17N3O5/c1-10(22)11-3-4-13-18(9-19,17(24)25-2)14(12-5-6-26-8-12)15(16(20)23)21(13)7-11/h3-8,13-15H,1-2H3,(H2,20,23)/t13-,14+,15-,18+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@H](CC1=O)C(=C)C)C2(SCCCS2)C(C3=CCCCC3)OC(=O)C
InChI: InChI=1S/C23H34O3S2/c1-15(2)19-13-20(16(3)21(25)14-19)23(27-11-8-12-28-23)22(26-17(4)24)18-9-6-5-7-10-18/h9,16,19-20,22H,1,5-8,10-14H2,2-4H3/t16-,19+,20+,22?/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C18H18N2O4/c1-24-13-4-2-3-12(8-13)19-14(21)9-20-17(22)15-10-5-6-11(7-10)16(15)18(20)23/h2-6,8,10-11,15-16H,7,9H2,1H3,(H,19,21)/t10-,11+,15-,16-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C
InChI: InChI=1S/C17H24N2O3S/c1-12-4-5-16(14(3)10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-13(15)2/h4-5,10,13,15H,6-9,11H2,1-3H3/t13-,15+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C(=C)[C@@H]([C@H]([C@H](O1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C29H41NO6Si/c1-21-24(20-35-37(6,7)29(2,3)4)36-27(32-5)25(26(21)33-18-22-14-10-8-11-15-22)30-28(31)34-19-23-16-12-9-13-17-23/h8-17,24-27H,1,18-20H2,2-7H3,(H,30,31)/t24-,25-,26+,27+/m1/s1
SMILES: CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC=CC=C3NS(=O)(=O)C
InChI: InChI=1S/C20H31N3O3S/c1-22(18-11-5-6-12-19(18)23-13-7-8-14-23)20(24)15-16-9-3-4-10-17(16)21-27(2,25)26/h3-4,9-10,18-19,21H,5-8,11-15H2,1-2H3/t18-,19-/m0/s1
SMILES: CC#CCO[C@@H]1CO[C@@H](O[C@@H]1CO[Si](C)(C)C(C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C21H32O4Si/c1-7-8-14-22-18-15-23-20(17-12-10-9-11-13-17)25-19(18)16-24-26(5,6)21(2,3)4/h9-13,18-20H,14-16H2,1-6H3/t18-,19-,20+/m1/s1
SMILES: C[C@@H]1COC(=O)[C@@H](NC(=O)CC=C[C@H]([C@H](COC1=O)OC)C)C
InChI: InChI=1S/C16H25NO6/c1-10-6-5-7-14(18)17-12(3)16(20)22-8-11(2)15(19)23-9-13(10)21-4/h5-6,10-13H,7-9H2,1-4H3,(H,17,18)/t10-,11-,12+,13+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H22ClN3O4/c1-12-4-2-3-5-15(12)23-18(26)17(25)22(19(23)27)11-16(24)21-10-13-6-8-14(20)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,21,24)/t12-,15-/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C(C3)C)C)C)N(C1)CC7=CC=C(C=C7)OC8=CC=CC=C8
InChI: InChI=1S/C41H51NO3/c1-26-20-38-39(42(24-26)25-29-10-13-33(14-11-29)44-32-8-6-5-7-9-32)28(3)41(45-38)19-17-34-35-15-12-30-21-31(43)16-18-40(30,4)37(35)22-36(34)27(2)23-41/h5-11,13-14,21,26,28,34-35,37-39H,12,15-20,22-25H2,1-4H3/t26-,28+,34-,35-,37-,38+,39-,40-,41-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)SC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C63H84N2O9S/c1-4-6-7-8-9-10-11-12-13-21-41-70-62(68)65(45-48-27-23-26-46-24-14-15-28-52(46)48)58-44-56(64-74-59-30-18-22-40-69-59)54-42-47(25-16-19-37-66)53(29-17-20-38-67)60-55-43-50(72-49-31-34-51(75-3)35-32-49)33-36-57(55)73-63(58,61(54)60)71-39-5-2/h5,14-15,23-24,26-28,31-36,42-43,47,53,58-61,66-67H,2,4,6-13,16-22,25,29-30,37-41,44-45H2,1,3H3/t47-,53+,58-,59?,60+,61+,63+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)C3=C(C(=C(C=C3C(=O)O2)OC)OC)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26O12/c1-9(23)30-8-14-17(31-10(2)24)20(32-11(3)25)21-19(33-14)15-12(22(26)34-21)7-13(27-4)16(28-5)18(15)29-6/h7,14,17,19-21H,8H2,1-6H3/t14-,17-,19-,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)C
InChI: InChI=1S/C23H29N3O3/c1-14-4-8-20(9-5-14)26-16(3)23(15(2)25-26)24-21(27)13-29-22(28)12-19-11-17-6-7-18(19)10-17/h4-5,8-9,17-19H,6-7,10-13H2,1-3H3,(H,24,27)/t17-,18+,19+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)OC)[NH3+])O)O
InChI: InChI=1S/C14H21NO7S/c1-8-3-5-9(6-4-8)23(18,19)21-7-10-12(16)13(17)11(15)14(20-2)22-10/h3-6,10-14,16-17H,7,15H2,1-2H3/p+1/t10-,11+,12-,13+,14+/m1/s1
SMILES: CCC(C)C(=O)O[C@@H]1C[C@@]([C@@H]2[C@H]([C@@H](C(=C2[C@@H]3[C@@]1([C@@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)OC(=O)CC(C)C)(C)OC(=O)C
InChI: InChI=1S/C32H46O12/c1-11-16(5)27(35)40-20-14-30(9,44-19(8)33)23-22(26-32(20,39)31(10,38)29(37)43-26)18(7)24(42-28(36)17(6)12-2)25(23)41-21(34)13-15(3)4/h12,15-16,20,23-26,38-39H,11,13-14H2,1-10H3/b17-12-/t16?,20-,23+,24-,25-,26-,30-,31+,32+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
InChI: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13+,14-,15-,16-/m1/s1
SMILES: COC1=CC=CC2=C1N[C@]3([C@]24CCN5[C@H]4[C@@]6(CC[C@]3(C6)C(=O)OC)C=CC5)O
InChI: InChI=1S/C22H26N2O4/c1-27-15-6-3-5-14-16(15)23-22(26)20(18(25)28-2)9-8-19(13-20)7-4-11-24-12-10-21(14,22)17(19)24/h3-7,17,23,26H,8-13H2,1-2H3/t17-,19+,20-,21+,22-/m0/s1
SMILES: CCCCC(C)CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C31H52N7O19P3S/c1-5-6-7-17(2)12-18(29(43)44)30(45)61-11-10-33-20(39)8-9-34-27(42)24(41)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-23(56-58(46,47)48)22(40)28(55-19)38-16-37-21-25(32)35-15-36-26(21)38/h15-19,22-24,28,40-41H,5-14H2,1-4H3,(H,33,39)(H,34,42)(H,43,44)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t17?,18?,19-,22-,23-,24+,28-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)NCCCN5CCCC5=O
InChI: InChI=1S/C45H68N4O8/c1-7-22-49(43(53)46-21-15-24-48-23-14-18-40(48)52)39-31-37(47-57-44(4,5)6)35-29-32(16-10-12-25-50)34(17-11-13-26-51)41-36-30-33(54-27-8-2)19-20-38(36)56-45(39,42(35)41)55-28-9-3/h8-9,19-20,29-30,32,34,39,41-42,50-51H,2-3,7,10-18,21-28,31H2,1,4-6H3,(H,46,53)/t32-,34+,39-,41+,42+,45+/m0/s1
SMILES: CCCCCCCCCC[C@H]1[C@@H](CC[C@H](O1)[C@H](CC[C@@H]([C@@H]2CC[C@H](O2)C#C)OCOC)OCOC)OCOC
InChI: InChI=1S/C31H56O8/c1-6-8-9-10-11-12-13-14-15-29-26(35-22-32-3)20-21-31(39-29)28(37-24-34-5)19-18-27(36-23-33-4)30-17-16-25(7-2)38-30/h2,25-31H,6,8-24H2,1,3-5H3/t25-,26-,27+,28+,29+,30+,31+/m1/s1
SMILES: CN1CC[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/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16-,17-;1-,2-/m11/s1
SMILES: CC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]4C[C@@H]5[C@H]3OC[C@@]5(C4)CO)N
InChI: InChI=1S/C15H19N5O2/c1-7-19-10-13(16)17-6-18-14(10)20(7)11-8-2-9-12(11)22-5-15(9,3-8)4-21/h6,8-9,11-12,21H,2-5H2,1H3,(H2,16,17,18)/t8-,9-,11+,12-,15-/m1/s1
SMILES: C1[C@@H]2[C@@H](N2P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C[C@H]5[C@@H]1O5
InChI: InChI=1S/C18H18NO2P/c20-22(13-7-3-1-4-8-13,14-9-5-2-6-10-14)19-15-11-17-18(21-17)12-16(15)19/h1-10,15-18H,11-12H2/t15-,16+,17-,18+,19?
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C4=CC=CC=C34)C5=CC=C(C=C5)Br
InChI: InChI=1S/C21H16BrNO/c22-15-12-10-14(11-13-15)20-19-17-8-4-5-9-18(17)21(19)24-23(20)16-6-2-1-3-7-16/h1-13,19-21H/t19-,20-,21-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC2=C[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C=C4)C(C)C
InChI: InChI=1S/C21H30O2/c1-12(2)17-7-4-13(3)8-19(17)23-11-16-10-18-14-5-6-15(9-14)20(18)21(16)22/h5-6,10,12-15,17-20H,4,7-9,11H2,1-3H3/t13-,14+,15-,17+,18-,19-,20+/m0/s1
SMILES: CC1=CC[C@@]2([C@@]3(C[C@@]4([C@@]5([C@@]([C@H]([C@@]3([C@]5([C@]2([C@H]1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-8,10,12,15,17,26-27,29-33H,9,11H2,1-5H3/t15-,17+,18-,19+,20-,21+,22-,23+,24+,25+/m0/s1
SMILES: CC1=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)CCCC(=O)O)O
InChI: InChI=1S/C26H25BrCl2N2O7/c1-12-9-13(4-7-17(12)32)20-14-5-6-15-19(22(36)30(21(15)35)8-2-3-18(33)34)16(14)10-25(28)23(37)31(11-27)24(38)26(20,25)29/h4-5,7,9,15-16,19-20,32H,2-3,6,8,10-11H2,1H3,(H,33,34)/t15-,16+,19-,20-,25+,26-/m0/s1
SMILES: C[C@@H]([C@@H]1NC(=O)[C@@H]([C@H](O1)[C@H]2COC(O2)(C)C)N3[C@H](COC3=O)C4=CC=CC=C4)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C29H46N2O7Si/c1-17(2)39(18(3)4,19(5)6)38-20(7)27-30-26(32)24(25(36-27)23-16-35-29(8,9)37-23)31-22(15-34-28(31)33)21-13-11-10-12-14-21/h10-14,17-20,22-25,27H,15-16H2,1-9H3,(H,30,32)/t20-,22+,23+,24+,25+,27+/m0/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C)C(=O)OC
InChI: InChI=1S/C25H33FO6/c1-6-20(29)32-25(22(30)31-5)13(2)9-16-15-11-18(26)17-10-14(27)7-8-23(17,3)21(15)19(28)12-24(16,25)4/h7-8,10,13,15-16,18-19,21,28H,6,9,11-12H2,1-5H3/t13-,15+,16+,18+,19+,21-,23+,24+,25+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2CN(CC3)C)C(=O)NC4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H22ClN3O/c1-13-3-8-18-16(11-13)17-12-23(2)10-9-19(17)24(18)20(25)22-15-6-4-14(21)5-7-15/h3-8,11,17,19H,9-10,12H2,1-2H3,(H,22,25)/t17-,19+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCC5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7)COCCCCCN
InChI: InChI=1S/C48H54N2O8S/c49-29-16-5-17-30-53-36-44-45(55-33-37-18-6-1-7-19-37)46(56-34-38-20-8-2-9-21-38)47(57-35-39-22-10-3-11-23-39)48(58-44)54-31-28-40-32-50(43-27-15-14-26-42(40)43)59(51,52)41-24-12-4-13-25-41/h1-4,6-15,18-27,32,44-48H,5,16-17,28-31,33-36,49H2/t44-,45-,46+,47+,48-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)CO)O)O
InChI: InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17?,18?,19?,20-,21-,22-,23-,24-,25+,26+,27-,28+,30+,31-,32?/m1/s1