EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OC3=CC=CC=C3)[C@@H](CC4=CCCC4)O
InChI: InChI=1S/C23H25NO4/c1-27-18-13-11-17(12-14-18)24-21(20(25)15-16-7-5-6-8-16)22(23(24)26)28-19-9-3-2-4-10-19/h2-4,7,9-14,20-22,25H,5-6,8,15H2,1H3/t20-,21+,22-/m1/s1
SMILES: C[C@]1(CCC[C@@]2([C@H]1C(=O)OC2=O)C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)C(=O)O
InChI: InChI=1S/C20H26O5/c1-11-9-20(16(22)23)10-12(11)5-6-13(20)18(2)7-4-8-19(3)14(18)15(21)25-17(19)24/h12-14H,1,4-10H2,2-3H3,(H,22,23)/t12-,13+,14+,18+,19-,20+/m1/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)CNC(=O)NC3=CC=C(C=C3)CC(=O)O
InChI: InChI=1S/C29H46N2O7/c1-4-5-6-7-8-9-10-11-12-13-18-35-25-23(36-27-26(25)37-29(2,3)38-27)20-30-28(34)31-22-16-14-21(15-17-22)19-24(32)33/h14-17,23,25-27H,4-13,18-20H2,1-3H3,(H,32,33)(H2,30,31,34)/t23-,25+,26-,27-/m1/s1
SMILES: CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](CC3)[C@@H]4[C@H]1OC(=O)[C@H]4C
InChI: InChI=1S/C17H27NO2/c1-3-11-12-6-4-5-8-18-9-7-13(15(12)18)14-10(2)17(19)20-16(11)14/h10-16H,3-9H2,1-2H3/t10-,11+,12+,13+,14+,15+,16-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)COC(=O)/C=C\C6=CC=C(C=C6)O
InChI: InChI=1S/C39H54O6/c1-24-15-20-38(23-45-32(42)14-9-26-7-10-27(40)11-8-26)21-22-39(34(43)44)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9-/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H]([C@@H](O3)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[C@@H]2O1)C
InChI: InChI=1S/C21H32O5Si/c1-20(2,3)27(6,7)26-17-14(13-11-9-8-10-12-13)22-16-15(17)23-19-18(16)24-21(4,5)25-19/h8-12,14-19H,1-7H3/t14-,15-,16-,17+,18+,19+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N
InChI: InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@H]3CCCC[C@@]3(CC[NH+]2CC(=O)N4CCOCC4)O
InChI: InChI=1S/C22H32N2O4/c1-27-19-8-3-2-6-17(19)21-18-7-4-5-9-22(18,26)10-11-24(21)16-20(25)23-12-14-28-15-13-23/h2-3,6,8,18,21,26H,4-5,7,9-16H2,1H3/p+1/t18-,21-,22+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@H]4[C@@H](C[C@H]4C(=O)N3C2(C)C)C5=CC=CC=C5
InChI: InChI=1S/C22H29NO2/c1-13-9-10-17-18(11-13)25-21-19-15(14-7-5-4-6-8-14)12-16(19)20(24)23(21)22(17,2)3/h4-8,13,15-19,21H,9-12H2,1-3H3/t13-,15+,16-,17-,18-,19+,21+/m1/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)CCC3=CC=CC=C3
InChI: InChI=1S/C15H18N2O3S2/c1-11(18)16-15-17(8-7-12-5-3-2-4-6-12)13-9-22(19,20)10-14(13)21-15/h2-6,13-14H,7-10H2,1H3/t13-,14+/m0/s1
SMILES: C1[C@@H]([C@@](C(=O)O1)(CC2=CC3=C(C=C2)OCO3)O)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H18O7/c21-19-20(22,8-13-2-4-16-18(7-13)27-11-25-16)14(9-23-19)5-12-1-3-15-17(6-12)26-10-24-15/h1-4,6-7,14,22H,5,8-11H2/t14-,20+/m0/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C4=C(NC(=O)S4)S[C@H]3C2=O)C5=CC=CC=C5
InChI: InChI=1S/C21H16N2O3S2/c1-11-7-9-13(10-8-11)23-19(24)15-14(12-5-3-2-4-6-12)16-18(22-21(26)28-16)27-17(15)20(23)25/h2-10,14-15,17H,1H3,(H,22,26)/t14-,15+,17-/m1/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C(=O)N4CCC5=CC=CC=C5C4)C
InChI: InChI=1S/C21H27NO6/c1-19(2)24-12-15-16(26-19)17-21(25-15,28-20(3,4)27-17)18(23)22-10-9-13-7-5-6-8-14(13)11-22/h5-8,15-17H,9-12H2,1-4H3/t15-,16+,17-,21+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)N/N=C/2\C[C@H]([C@H]([C@H]3[C@H]2CC[C@@H]4[C@H]3C(=O)N(C4=O)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C28H31N3O7/c1-37-18-9-7-17(8-10-18)15-38-28(36)30-29-21-13-22(32)25(33)23-19(21)11-12-20-24(23)27(35)31(26(20)34)14-16-5-3-2-4-6-16/h2-10,19-20,22-25,32-33H,11-15H2,1H3,(H,30,36)/b29-21+/t19-,20+,22+,23-,24+,25+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](CC3=C1C(=CC(=C3)OC)OC)C4=C(C2=O)N=CC(=C4)Br
InChI: InChI=1S/C19H18BrNO3/c1-9-16-10(4-12(23-2)7-15(16)24-3)5-13-14-6-11(20)8-21-18(14)19(22)17(9)13/h4,6-9,13,17H,5H2,1-3H3/t9-,13+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H22N2OS/c1-12-2-5-14(6-3-12)17-11-23-19(20-17)21-18(22)10-16-9-13-4-7-15(16)8-13/h2-3,5-6,11,13,15-16H,4,7-10H2,1H3,(H,20,21,22)/t13-,15+,16+/m0/s1
SMILES: C[NH+]1[C@@H]([C@@H]2CN(C(=O)[C@@]2(N1)O)C3CCCCC3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H24ClN3O2/c1-21-16(12-7-9-13(19)10-8-12)15-11-22(14-5-3-2-4-6-14)17(23)18(15,24)20-21/h7-10,14-16,20,24H,2-6,11H2,1H3/p+1/t15-,16+,18-/m0/s1
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O
InChI: InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)OC(=O)CCN2CCOCC2)S(=O)(=O)CC3=CC=CC=C3
InChI: InChI=1S/C20H29NO5S/c22-20(10-11-21-12-14-25-15-13-21)26-18-8-4-5-9-19(18)27(23,24)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2/t18-,19+/m0/s1
SMILES: CCCOC(=O)C[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C24H36O4/c1-4-13-28-21(26)15-24(27)12-9-20-18-6-5-16-14-17(25)7-10-22(16,2)19(18)8-11-23(20,24)3/h14,18-20,27H,4-13,15H2,1-3H3/t18?,19?,20?,22-,23-,24+/m0/s1
SMILES: CCOC1=CC=CC=C1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C34H37Cl2N5O4/c1-2-45-29-6-4-3-5-28(29)33-37-31(24-7-11-26(35)12-8-24)32(25-9-13-27(36)14-10-25)41(33)34(43)40-17-15-38(16-18-40)23-30(42)39-19-21-44-22-20-39/h3-14,31-32H,2,15-23H2,1H3/t31-,32+/m0/s1
SMILES: C1[C@]2([C@@H]3[C@H]([C@@H]3S1)C(=O)[O-])C(=O)NC(=O)N2.C1=CC=C(C=C1)[C@@H](CO)[NH3+]
InChI: InChI=1S/C8H8N2O4S.C8H11NO/c11-5(12)2-3-4(2)15-1-8(3)6(13)9-7(14)10-8;9-8(6-10)7-4-2-1-3-5-7/h2-4H,1H2,(H,11,12)(H2,9,10,13,14);1-5,8,10H,6,9H2/t2-,3-,4+,8+;8-/m11/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]3[C@@H]([C@@H]4[C@@H](O4)CO3)O[C@H]2C5=CN=C(N=C5OC)OC
InChI: InChI=1S/C21H24N2O7/c1-24-12-6-4-11(5-7-12)9-27-17-15(13-8-22-21(26-3)23-20(13)25-2)30-19-16-14(29-16)10-28-18(17)19/h4-8,14-19H,9-10H2,1-3H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES: CC1=C(C=CC(=C1)Cl)O[C@H]2[C@H](N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C25H21ClF3NO4/c1-14-11-17(26)8-10-19(14)34-23-22(15-7-9-20(32-2)21(12-15)33-3)30(24(23)31)18-6-4-5-16(13-18)25(27,28)29/h4-13,22-23H,1-3H3/t22-,23+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@@H]1[C@@H](C)[C@@H](C(=C)OS(=O)(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C)C2=CC=CC=C2)C
InChI: InChI=1S/C24H37F3O6SSi/c1-15-17(3)30-22(19-13-11-10-12-14-19)31-20(15)16(2)21(33-35(8,9)23(5,6)7)18(4)32-34(28,29)24(25,26)27/h10-17,20-22H,4H2,1-3,5-9H3/t15-,16+,17+,20-,21-,22+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)C
InChI: InChI=1S/C18H26ClN3O4S/c1-11-5-12(2)18(13(3)6-11)21-17(24)8-22(4)7-16(23)20-15-10-27(25,26)9-14(15)19/h5-6,14-15H,7-10H2,1-4H3,(H,20,23)(H,21,24)/p+1/t14-,15-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C=C5)O)OC)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C37H37N3O6/c1-4-18-39-33(42)26-16-15-25-27(31(26)35(39)44)20-28-34(43)40(38-24-13-10-21(2)11-14-24)36(45)37(28,23-8-6-5-7-9-23)32(25)22-12-17-29(41)30(19-22)46-3/h5-15,17,19,26-28,31-32,38,41H,4,16,18,20H2,1-3H3/t26-,27+,28-,31-,32-,37+/m0/s1
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H19NO3/c1-10-2-4-11(5-3-10)9-18-16(19)14-12-6-7-13(8-12)15(14)17(20)21/h2-7,12-15H,8-9H2,1H3,(H,18,19)(H,20,21)/t12-,13+,14+,15+/m1/s1
SMILES: CCCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)CCCCCC)O)O
InChI: InChI=1S/C45H65NO13/c1-8-10-12-17-21-32(49)46-35(28-19-15-14-16-20-28)37(52)41(54)57-29-24-45(55)40(58-33(50)22-18-13-11-9-2)38-43(7,39(53)36(51)34(26(29)3)42(45,5)6)30(48)23-31-44(38,25-56-31)59-27(4)47/h14-16,19-20,29-31,35-38,40,48,51-52,55H,8-13,17-18,21-25H2,1-7H3,(H,46,49)/t29-,30-,31+,35-,36+,37+,38-,40-,43+,44-,45+/m0/s1
SMILES: C[C@@H]1C[C@]2(C(=C(C(=O)O2)C)C[C@]34[C@@]15[C@@H](O5)C[C@]3(O4)C)OC
InChI: InChI=1S/C16H20O5/c1-8-5-14(18-4)10(9(2)12(17)20-14)6-15-13(3,21-15)7-11-16(8,15)19-11/h8,11H,5-7H2,1-4H3/t8-,11+,13-,14+,15-,16+/m1/s1
SMILES: CC(C)CSC[C@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C2C=CN=C3N)O)O
InChI: InChI=1S/C15H22N4O3S/c1-8(2)5-23-6-10-12(20)13(21)15(22-10)19-7-18-11-9(19)3-4-17-14(11)16/h3-4,7-8,10,12-13,15,20-21H,5-6H2,1-2H3,(H2,16,17)/t10-,12+,13+,15-/m0/s1
SMILES: CCC1(O[C@@H]2C[C@@]3([C@H](C(=O)[C@@H]2O1)OC(O3)(C)C)COC(=O)C)CC
InChI: InChI=1S/C17H26O7/c1-6-17(7-2)21-11-8-16(9-20-10(3)18)14(12(19)13(11)22-17)23-15(4,5)24-16/h11,13-14H,6-9H2,1-5H3/t11-,13-,14+,16+/m1/s1
SMILES: C/C(=N\NC(=O)[C@H]1C[C@H]1C2=CC=C(C=C2)C(C)(C)C)/C3=CC=C(C=C3)F
InChI: InChI=1S/C22H25FN2O/c1-14(15-7-11-18(23)12-8-15)24-25-21(26)20-13-19(20)16-5-9-17(10-6-16)22(2,3)4/h5-12,19-20H,13H2,1-4H3,(H,25,26)/b24-14+/t19-,20-/m0/s1
SMILES: CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)CCl)OC(=O)CCl
InChI: InChI=1S/C24H28Cl2N2O4/c1-3-12-13-8-16-21-24(14-6-4-5-7-15(14)27(21)2)9-17(20(13)22(24)31-18(29)10-25)28(16)23(12)32-19(30)11-26/h4-7,12-13,16-17,20-23H,3,8-11H2,1-2H3/t12-,13?,16-,17-,20?,21-,22+,23+,24?/m0/s1
SMILES: CC(C)(C)N1[C@@H]([C@H](N(C1=O)C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C23H30N2O/c1-22(2,3)24-19(17-13-9-7-10-14-17)20(18-15-11-8-12-16-18)25(21(24)26)23(4,5)6/h7-16,19-20H,1-6H3/t19-,20-/m1/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C23H28O6/c1-2-13-27-23-22(28-15-18-11-7-4-8-12-18)21(25)20(24)19(29-23)16-26-14-17-9-5-3-6-10-17/h2-12,19-25H,1,13-16H2/t19-,20+,21+,22-,23-/m1/s1
SMILES: CC(=CC[C@]12C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@H]1N(C5=CC=CC=C25)CC=C(C)C)C
InChI: InChI=1S/C26H33N3O2/c1-17(2)11-13-26-16-22-23(30)27-14-7-10-21(27)24(31)29(22)25(26)28(15-12-18(3)4)20-9-6-5-8-19(20)26/h5-6,8-9,11-12,21-22,25H,7,10,13-16H2,1-4H3/t21-,22-,25+,26+/m0/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)N3CCOCC3
InChI: InChI=1S/C17H21N3O2S/c1-11-4-3-5-13(10-11)15-14(12(2)18-17(23)19-15)16(21)20-6-8-22-9-7-20/h3-5,10,14-15H,2,6-9H2,1H3,(H2,18,19,23)/t14-,15+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)I)O)OC)C)C6=CC=CC=C6
InChI: InChI=1S/C30H29IN2O6/c1-4-32-26(35)18-11-10-17-19(23(18)28(32)37)14-20-27(36)33(16-8-6-5-7-9-16)29(38)30(20,2)24(17)15-12-21(31)25(34)22(13-15)39-3/h5-10,12-13,18-20,23-24,34H,4,11,14H2,1-3H3/t18-,19+,20-,23-,24-,30+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSC(=O)C)O
InChI: InChI=1S/C12H16N2O5S/c1-6-4-14(12(18)13-11(6)17)10-3-8(16)9(19-10)5-20-7(2)15/h4,8-10,16H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
SMILES: C1COCCN1CCN[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C21H30IN3O5/c22-16-3-1-2-4-18(16)30-19-14-15(21(28)24-6-10-26)13-17(20(19)27)23-5-7-25-8-11-29-12-9-25/h1-4,14,17,19-20,23,26-27H,5-13H2,(H,24,28)/t17-,19+,20+/m1/s1
SMILES: C1C[C@@]2(C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C23H20N2O3/c26-20-18-15-11-13-23(14-12-15,22(28)24-16-7-3-1-4-8-16)19(18)21(27)25(20)17-9-5-2-6-10-17/h1-11,13,15,18-19H,12,14H2,(H,24,28)/t15-,18+,19-,23-/m1/s1
SMILES: C[C@]12CCC(C(C1CC[C@@H]2O)C#N)C3=C(C=C(C=C3)OC)C=O
InChI: InChI=1S/C19H23NO3/c1-19-8-7-15(16(10-20)17(19)5-6-18(19)22)14-4-3-13(23-2)9-12(14)11-21/h3-4,9,11,15-18,22H,5-8H2,1-2H3/t15?,16?,17?,18-,19-/m0/s1
SMILES: CCCCCCO[P@](=O)(OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-]
InChI: InChI=1S/C26H37N10O9P/c1-3-4-5-6-7-41-46(40,42-11-16-8-18(37)25(44-16)36-14-31-21-22(27)29-13-30-23(21)36)43-12-19-17(33-34-28)9-20(45-19)35-10-15(2)24(38)32-26(35)39/h10,13-14,16-20,25,37H,3-9,11-12H2,1-2H3,(H2,27,29,30)(H,32,38,39)/t16-,17-,18+,19+,20+,25+,46+/m0/s1
SMILES: C[C@@H]1CCC[C@@]2(O1)[C@H]([C@@H](C[C@@H](O2)CCO)O)O
InChI: InChI=1S/C12H22O5/c1-8-3-2-5-12(16-8)11(15)10(14)7-9(17-12)4-6-13/h8-11,13-15H,2-7H2,1H3/t8-,9+,10-,11+,12+/m1/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3CCCCC3)C(=O)NC(CC4CCC4)C(=O)C(=O)N)C
InChI: InChI=1S/C29H47N5O5/c1-28(2,3)23(33-27(39)31-17-12-7-6-8-13-17)26(38)34-15-18-20(29(18,4)5)21(34)25(37)32-19(22(35)24(30)36)14-16-10-9-11-16/h16-21,23H,6-15H2,1-5H3,(H2,30,36)(H,32,37)(H2,31,33,39)/t18-,19?,20-,21-,23+/m0/s1
SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H](C2/C=C/C4=NC=C(C=C4)C5=CC=CC=C5)[C@H](OC3=O)C
InChI: InChI=1S/C29H34N2O4/c1-3-34-29(33)31-23-12-13-24-21(15-23)16-26-27(18(2)35-28(26)32)25(24)14-11-22-10-9-20(17-30-22)19-7-5-4-6-8-19/h4-11,14,17-18,21,23-27H,3,12-13,15-16H2,1-2H3,(H,31,33)/b14-11+/t18-,21+,23-,24-,25?,26-,27+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)C5=CCCC5)C)O
InChI: InChI=1S/C24H36O2/c1-23-11-9-16(15-5-3-4-6-15)13-17(23)14-20(25)22-18-7-8-21(26)24(18,2)12-10-19(22)23/h5,14,16,18-22,25-26H,3-4,6-13H2,1-2H3/t16-,18?,19?,20+,21-,22?,23-,24-/m0/s1
SMILES: C[Si](C)(C)CCS(=O)(=O)N1CC[C@@]23[C@@H]1C(=O)CC[C@@H]2CC=C3
InChI: InChI=1S/C16H27NO3SSi/c1-22(2,3)12-11-21(19,20)17-10-9-16-8-4-5-13(16)6-7-14(18)15(16)17/h4,8,13,15H,5-7,9-12H2,1-3H3/t13-,15-,16+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@H]2C3=CC=C(C=C3)F)(CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-25-19(26)16-17(20(25)27)22(21(28)29-2,12-13-6-4-3-5-7-13)24-18(16)14-8-10-15(23)11-9-14/h3-11,16-18,24H,12H2,1-2H3/p+1/t16-,17+,18-,22+/m0/s1
SMILES: C[C@@]12[C@H](C[C@@](O1)(C(O2)(C)C)CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChI: InChI=1S/C21H44O5Si2/c1-18(2,3)28(10,11)24-15-21-14-17(20(6,26-21)25-19(21,4)5)23-16-22-12-13-27(7,8)9/h17H,12-16H2,1-11H3/t17-,20-,21-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=NC3=CC=CC=C3S2)C(=O)O
InChI: InChI=1S/C15H16N2O3S/c18-13(9-5-1-2-6-10(9)14(19)20)17-15-16-11-7-3-4-8-12(11)21-15/h3-4,7-10H,1-2,5-6H2,(H,19,20)(H,16,17,18)/t9-,10+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)OC(=O)C)O)O
InChI: InChI=1S/C23H38O6/c1-4-5-8-11-18(25)14-15-19-20(22(16-21(19)26)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21+,22-/m0/s1
SMILES: CC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CSC(=N2)C)/Cl)/C)C)O
InChI: InChI=1S/C27H40ClNO5S/c1-7-20-25(32)17(3)10-8-9-16(2)11-12-22(21(28)13-19-15-35-18(4)29-19)34-24(31)14-23(30)27(5,6)26(20)33/h11,13,15,17,20,22-23,25,30,32H,7-10,12,14H2,1-6H3/b16-11-,21-13-/t17-,20+,22-,23-,25-/m0/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCC5=CC(=C(C=C5[C@@H]4C)OC)O)C
InChI: InChI=1S/C26H35NO4/c1-15-6-5-8-26(3)13-24-19(11-21(15)26)20(25(29)31-24)14-27-9-7-17-10-22(28)23(30-4)12-18(17)16(27)2/h10-12,15-16,19-20,24,28H,5-9,13-14H2,1-4H3/t15-,16-,19+,20+,24+,26+/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)OCC7=CC=C(C=C7)CO)C8=C(N(N(C8=O)C9=CC=CC=C9)C)C)OC)OC)OC)OC
InChI: InChI=1S/C54H64N4O9/c1-8-36-30-56-20-18-37-24-46(62-4)48(64-6)28-42(37)44(56)22-39(36)23-45-43-29-49(65-7)47(63-5)25-38(43)19-21-57(45)53(60)50-26-40(27-51(67-50)66-32-35-16-14-34(31-59)15-17-35)52-33(2)55(3)58(54(52)61)41-12-10-9-11-13-41/h9-17,24-26,28-29,36,39-40,44-45,51,59H,8,18-23,27,30-32H2,1-7H3/t36-,39+,40-,44-,45+,51+/m0/s1
SMILES: C1CC2=CC=CC=C2[C@@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12-,13-,15-,16-,19-/m1/s1
SMILES: C1C[C@@H]2C[C@@H](N([C@@H]2C1)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NO
InChI: InChI=1S/C20H21N3O6S/c24-20(21-25)19-12-15-2-1-3-18(15)22(19)30(28,29)17-10-6-14(7-11-17)13-4-8-16(9-5-13)23(26)27/h4-11,15,18-19,25H,1-3,12H2,(H,21,24)/t15-,18-,19-/m1/s1
SMILES: CC1=CC2=C(C=C1OC)[C@H]([C@@H]3CCCC([C@@H]3CC2)(C)C)OC(=O)C
InChI: InChI=1S/C21H30O3/c1-13-11-15-8-9-18-16(7-6-10-21(18,3)4)20(24-14(2)22)17(15)12-19(13)23-5/h11-12,16,18,20H,6-10H2,1-5H3/t16-,18-,20+/m1/s1
SMILES: CCC(C)(C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](C=CC2=C[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H66O6Si2/c1-16-37(10,11)34(39)41-33-31-26(21-25(3)32(33)43-45(14,15)36(7,8)9)18-17-24(2)29(31)20-19-27-22-28(23-30(38)40-27)42-44(12,13)35(4,5)6/h17-18,21,24-25,27-29,31-33H,16,19-20,22-23H2,1-15H3/t24-,25-,27+,28+,29-,31-,32-,33+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C2=CC=C(C=C2)C#N)O
InChI: InChI=1S/C16H20N2O3/c1-16(2,3)21-15(20)18-9-8-13(19)14(18)12-6-4-11(10-17)5-7-12/h4-7,13-14,19H,8-9H2,1-3H3/t13-,14-/m0/s1
SMILES: CC[C@@H](C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)[C@H]3CC(=C(C[C@@H]3C(=O)O)C)C)C
InChI: InChI=1S/C26H30N2O3S/c1-6-14(2)18-7-9-19(10-8-18)23-17(5)32-25(22(23)13-27)28-24(29)20-11-15(3)16(4)12-21(20)26(30)31/h7-10,14,20-21H,6,11-12H2,1-5H3,(H,28,29)(H,30,31)/t14-,20+,21+/m1/s1
SMILES: CC(=O)OC[C@@]12[C@H](C[C@]([C@@]3([C@]1(CCC[C@]24CO4)O)C[C@@H](OC3=O)C5=COC=C5)(C)O)O
InChI: InChI=1S/C22H28O9/c1-13(23)29-12-21-16(24)9-18(2,26)20(22(21,27)6-3-5-19(21)11-30-19)8-15(31-17(20)25)14-4-7-28-10-14/h4,7,10,15-16,24,26-27H,3,5-6,8-9,11-12H2,1-2H3/t15-,16+,18+,19+,20-,21+,22+/m1/s1
SMILES: CC(=CCC(/C(=C/C=C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H](C3(C)C)OC(=O)C)C)C)/C)/C)O[C@@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C
InChI: InChI=1S/C37H56O8/c1-21(2)13-14-26(44-34-33(42)32(41)27(20-38)45-34)22(3)11-10-12-23(4)31-25(40)19-29-36(8)18-16-30(43-24(5)39)35(6,7)28(36)15-17-37(29,31)9/h10-13,26-30,32-34,38,41-42H,14-20H2,1-9H3/b12-10+,22-11+,31-23+/t26?,27-,28+,29+,30-,32-,33-,34+,36+,37+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C3=CC=CC=C3C(=C2)[N+](=O)[O-])N4CCCC4=O)O)C
InChI: InChI=1S/C19H20N2O5/c1-19(2)18(23)16(20-9-5-8-15(20)22)13-10-14(21(24)25)11-6-3-4-7-12(11)17(13)26-19/h3-4,6-7,10,16,18,23H,5,8-9H2,1-2H3/t16-,18+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=S)C[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C43H56N2O14S/c1-25-35(22-45-16-14-43(15-17-45)52-18-19-53-43)58-42(59-38(25)32-10-8-31(23-46)9-11-32)33-12-6-30(7-13-33)21-44-37(60)20-34-39(54-27(3)48)41(56-29(5)50)40(55-28(4)49)36(57-34)24-51-26(2)47/h6-13,25,34-36,38-42,46H,14-24H2,1-5H3,(H,44,60)/t25-,34-,35+,36+,38+,39-,40+,41+,42?/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC=C
InChI: InChI=1S/C19H24N2O3/c1-6-11-24-17(22)15-12(2)20-18(23)21-16(15)13-7-9-14(10-8-13)19(3,4)5/h6-10,15-16H,1-2,11H2,3-5H3,(H2,20,21,23)/t15-,16+/m0/s1
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)O
InChI: InChI=1S/C26H25N7O8S2/c1-4-32-7-14(19(34)13-6-5-11(2)28-20(13)32)25(39)41-8-12-9-42-23-17(22(36)33(23)18(12)24(37)38)30-21(35)16(31-40-3)15-10-43-26(27)29-15/h5-7,10,17,23H,4,8-9H2,1-3H3,(H2,27,29)(H,30,35)(H,37,38)/b31-16-/t17-,23-/m1/s1
SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)[C@@H]2[C@@H](C(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H34N2O4/c1-30(2,3)36-29(34)31-25(19-22-13-7-4-8-14-22)26-27(35-21-24-17-11-6-12-18-24)28(33)32(26)20-23-15-9-5-10-16-23/h4-18,25-27H,19-21H2,1-3H3,(H,31,34)/t25?,26-,27+/m1/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)C)O)OC(O2)(C)C
InChI: InChI=1S/C26H48O7/c1-6-7-13-16-20(17-14-11-9-8-10-12-15-18-21(27)29-5)31-25-24-23(22(28)19(2)30-25)32-26(3,4)33-24/h19-20,22-25,28H,6-18H2,1-5H3/t19-,20-,22-,23+,24+,25-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](N1)CO)NC(=O)OCC2=CC=CC=C2)O)O
InChI: InChI=1S/C14H20N2O5/c17-7-10-12(13(19)11(18)6-15-10)16-14(20)21-8-9-4-2-1-3-5-9/h1-5,10-13,15,17-19H,6-8H2,(H,16,20)/t10-,11-,12-,13-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC4=CCCCC4)C
InChI: InChI=1S/C23H35NO2/c1-16-7-6-11-23(2)14-21-18(13-20(16)23)19(22(25)26-21)15-24-12-10-17-8-4-3-5-9-17/h8,13,16,18-19,21,24H,3-7,9-12,14-15H2,1-2H3/p+1/t16-,18+,19-,21+,23+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC=C4I)OCO3
InChI: InChI=1S/C29H37IN2O9/c1-29(2,3)41-24(34)11-10-18(15-33)31-26(35)21-9-6-12-32(21)27(36)17-13-22-25(39-16-38-22)23(14-17)40-28(37)19-7-4-5-8-20(19)30/h4-5,7-8,13,18,21-23,25,33H,6,9-12,14-16H2,1-3H3,(H,31,35)/t18-,21+,22+,23+,25+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H](S1)CC(=O)NC2=CC=C(C=C2)C#N)O)O)O
InChI: InChI=1S/C14H16N2O4S/c15-6-8-1-3-9(4-2-8)16-12(18)5-11-14(20)13(19)10(17)7-21-11/h1-4,10-11,13-14,17,19-20H,5,7H2,(H,16,18)/t10-,11-,13+,14+/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@](C1(Cl)Cl)(C2(CCl)CCl)C(Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H10Cl8/c11-2-8(3-12)4-1-9(17,18)10(8,7(15)16)6(14)5(4)13/h4-7H,1-3H2/t4-,5+,6-,10-/m0/s1
SMILES: CC(C)CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C18H24N2O5S2/c1-11(2)7-17(21)19-18-20(14-9-27(22,23)10-16(14)26-18)13-6-5-12(24-3)8-15(13)25-4/h5-6,8,11,14,16H,7,9-10H2,1-4H3/t14-,16+/m0/s1
SMILES: CC[C@H]1[C@]([N+]2=C(N1C3=CC=CC=C3)CCC2)(C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C20H22ClN2O/c1-2-18-20(24,15-10-12-16(21)13-11-15)22-14-6-9-19(22)23(18)17-7-4-3-5-8-17/h3-5,7-8,10-13,18,24H,2,6,9,14H2,1H3/q+1/t18-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=CC=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C47H42N6O5/c1-28-12-14-33(15-13-28)50-53-44(56)40-27-39-37(42(29-8-7-11-36(54)26-29)47(40,46(53)58)30-9-5-4-6-10-30)24-25-38-41(39)45(57)52(43(38)55)35-22-18-32(19-23-35)49-48-31-16-20-34(21-17-31)51(2)3/h4-24,26,38-42,50,54H,25,27H2,1-3H3/t38-,39+,40-,41-,42-,47+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H](C(CO)O)O)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC
InChI: InChI=1S/C19H25N3O11S/c1-9(24)20-15-12(7-14(18(27)28)33-17(15)16(26)13(25)8-23)22-34(30,31)11-5-3-10(4-6-11)21-19(29)32-2/h3-7,12-13,15-17,22-23,25-26H,8H2,1-2H3,(H,20,24)(H,21,29)(H,27,28)/t12-,13?,15+,16+,17+/m0/s1
SMILES: CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(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/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1
SMILES: CC(C)N1[C@@H]2C=CC[C@H]([C@H]1CC3=CNC4=CC=CC=C43)C2=C
InChI: InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3/t16-,19+,20+/m0/s1
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].C1C[C@@H]2[C@H](CCCN2C(=O)C1)[C-]=O.[CH]1[CH][CH][CH][CH]1.[W+2]
InChI: InChI=1S/C10H14NO2.C5H5.3CO.W/c12-7-8-3-2-6-11-9(8)4-1-5-10(11)13;1-2-4-5-3-1;3*1-2;/h8-9H,1-6H2;1-5H;;;;/q-1;;;;;+2/t8-,9-;;;;;/m1...../s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6+,7+,8-,9-/m1/s1
SMILES: CC1=C(C(=CC=C1)C2=CC3=C(C=C2)NC(=O)[C@@H]4[C@H](CCN4C3=O)NC(=O)CCC(=O)[O-])C
InChI: InChI=1S/C24H25N3O5/c1-13-4-3-5-16(14(13)2)15-6-7-18-17(12-15)24(32)27-11-10-19(22(27)23(31)26-18)25-20(28)8-9-21(29)30/h3-7,12,19,22H,8-11H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)/p-1/t19-,22-/m0/s1
SMILES: C[C@H](C(=O)NCCOC)OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H22N2O6/c1-10(14(20)17-7-8-23-2)24-13(19)9-18-15(21)11-5-3-4-6-12(11)16(18)22/h3-4,10-12H,5-9H2,1-2H3,(H,17,20)/t10-,11-,12+/m1/s1
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C18H19N3O10/c22-8-14-15(23)16(24)17(25)18(31-14)30-11-4-1-9(2-5-11)19-12-6-3-10(20(26)27)7-13(12)21(28)29/h1-7,14-19,22-25H,8H2/t14-,15-,16+,17-,18+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O7/c1-21(30)32-20-25-26(33-17-22-11-5-2-6-12-22)27(34-18-23-13-7-3-8-14-23)28(29(31)36-25)35-19-24-15-9-4-10-16-24/h2-16,25-29,31H,17-20H2,1H3/t25-,26+,27+,28-,29?/m1/s1