EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CO[C@@H]1[C@H](O[C@@H]2[C@H]([C@H]1O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)CO
InChI: InChI=1S/C27H20N4O8/c1-38-24-15(9-32)39-27-22(23(24)33)29-14-7-6-10(31(36)37)8-12(14)17-19-18(25(34)28-26(19)35)16-11-4-2-3-5-13(11)30(27)21(16)20(17)29/h2-8,15,22-24,27,32-33H,9H2,1H3,(H,28,34,35)/t15-,22+,23-,24-,27-/m1/s1
SMILES: C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2C(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O)C(=O)N[C@@H](CCCN=C(N)N)C=O)O
InChI: InChI=1S/C33H44N6O8/c34-33(35)36-13-1-2-22(18-40)37-30(45)28-16-21-7-12-25(43)17-27(21)39(28)32(47)26(14-19-3-8-23(41)9-4-19)38-31(46)29(44)15-20-5-10-24(42)11-6-20/h3-6,8-11,18,21-22,25-29,41-44H,1-2,7,12-17H2,(H,37,45)(H,38,46)(H4,34,35,36)/t21-,22-,25+,26+,27-,28-,29+/m0/s1
SMILES: CC1=CC(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=C([C@]2(C3(OC)OC)Cl)Cl)Cl)Cl
InChI: InChI=1S/C14H12Cl4O4/c1-5-4-6(19)7-8(9(5)20)13(18)11(16)10(15)12(7,17)14(13,21-2)22-3/h4,7-8H,1-3H3/t7-,8-,12-,13+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](CC(=O)N2C3CCCCC3)C(=O)[O-]
InChI: InChI=1S/C18H23NO4/c1-23-14-9-7-12(8-10-14)17-15(18(21)22)11-16(20)19(17)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11H2,1H3,(H,21,22)/p-1/t15-,17+/m1/s1
SMILES: C[C@@H]1C[C@H](OC2(O1)C[C@@H]3CCCCCCCCC[C@@H](C3)[C@@H]2O)C
InChI: InChI=1S/C20H36O3/c1-15-12-16(2)23-20(22-15)14-17-10-8-6-4-3-5-7-9-11-18(13-17)19(20)21/h15-19,21H,3-14H2,1-2H3/t15-,16-,17-,18+,19+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H21Cl3FN3O7/c33-24-13-19(40)9-10-21(24)26-20-11-12-22-25(28(42)37(27(22)41)16-5-7-18(8-6-16)39(45)46)23(20)14-31(34)29(43)38(30(44)32(26,31)35)17-3-1-15(36)2-4-17/h1-11,13,22-23,25-26,40H,12,14H2/t22-,23+,25-,26+,31+,32-/m0/s1
SMILES: CC(C)C1=CC([C@H]2[C@@H]1C=C[C@@H](C2)OC(=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C23H26O6/c1-14(2)18-13-23(21(25)27-3,22(26)28-4)19-12-16(10-11-17(18)19)29-20(24)15-8-6-5-7-9-15/h5-11,13-14,16-17,19H,12H2,1-4H3/t16-,17+,19+/m0/s1
SMILES: CC(=CC/C=C\1/CC[C@@H]([C@@H](C1)C(=O)[O-])C(=O)[O-])C
InChI: InChI=1S/C14H20O4/c1-9(2)4-3-5-10-6-7-11(13(15)16)12(8-10)14(17)18/h4-5,11-12H,3,6-8H2,1-2H3,(H,15,16)(H,17,18)/p-2/b10-5-/t11-,12+/m0/s1
SMILES: C1C=CC[C@]23[C@@]1([C@@H]4C5=CC=CC=C5[C@H]2C6=C4C(=C(C(=C6F)F)F)F)C(=O)OC3=O
InChI: InChI=1S/C22H12F4O3/c23-15-11-12(16(24)18(26)17(15)25)14-10-6-2-1-5-9(10)13(11)21-7-3-4-8-22(14,21)20(28)29-19(21)27/h1-6,13-14H,7-8H2/t13-,14+,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)N2[C@H](C(=O)O[C@@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)CCCCCI
InChI: InChI=1S/C29H30INO4/c30-20-12-4-11-19-25-28(32)35-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)31(25)29(33)34-21-22-13-5-1-6-14-22/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2/t25-,26-,27+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@H]2O1)C(=O)O)CNC(=O)[C@H]3[C@@H]4[C@H]([C@H](O3)CN=[N+]=[N-])OC(O4)(C)C)C
InChI: InChI=1S/C18H26N4O9/c1-17(2)29-10-8(6-21-22-19)26-13(11(10)30-17)15(23)20-5-7-9-12(14(27-7)16(24)25)31-18(3,4)28-9/h7-14H,5-6H2,1-4H3,(H,20,23)(H,24,25)/t7-,8-,9+,10+,11+,12+,13-,14-/m1/s1
SMILES: CC[C@@]1([C@H]2[C@@]1(C(=O)OC3=CC=CC=C23)C(=O)C)C(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H17BrO4/c1-3-20(18(24)13-8-10-14(22)11-9-13)17-15-6-4-5-7-16(15)26-19(25)21(17,20)12(2)23/h4-11,17H,3H2,1-2H3/t17-,20+,21+/m0/s1
SMILES: CCC[C@@H]1CC(=C)C[C@H](C(=O)[C@@H](C[C@H]2C[C@@H]([C@@H](O2)CCCC[C@@H](C(=O)O1)C)C)O)C
InChI: InChI=1S/C25H42O5/c1-6-9-20-13-16(2)12-19(5)24(27)22(26)15-21-14-18(4)23(29-21)11-8-7-10-17(3)25(28)30-20/h17-23,26H,2,6-15H2,1,3-5H3/t17-,18-,19+,20+,21+,22+,23-/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OCC
InChI: InChI=1S/C26H29N5O4/c1-4-11-35-21-8-7-17(12-22(21)33-5-2)23-20-14-31(25(32)34-6-3)10-9-18(20)19(13-27)24(30)26(23,15-28)16-29/h7-9,12,20,23H,4-6,10-11,14,30H2,1-3H3/t20-,23+/m0/s1
SMILES: CCOC(=O)[C@@H]1C=C([C@H]([C@@H]([C@]1(/C(=C/C=C\C(C)C)/C(=O)O)O)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C24H40O7Si/c1-10-30-22(28)18-14-16(4)19(31-32(8,9)23(5,6)7)20(25)24(18,29)17(21(26)27)13-11-12-15(2)3/h11-15,18-20,25,29H,10H2,1-9H3,(H,26,27)/b12-11-,17-13+/t18-,19+,20-,24+/m0/s1
SMILES: C=CCN1[C@@H]2CS(=O)(=O)C[C@H]2SC1=NC(=O)COC3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H17ClN2O4S2/c1-2-7-19-13-9-25(21,22)10-14(13)24-16(19)18-15(20)8-23-12-5-3-11(17)4-6-12/h2-6,13-14H,1,7-10H2/t13-,14-/m1/s1
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C
InChI: InChI=1S/C21H27N3O4S/c1-15-7-8-19(16(2)13-15)29(27,28)23-11-9-22(10-12-23)14-24-20(25)17-5-3-4-6-18(17)21(24)26/h3-4,7-8,13,17-18H,5-6,9-12,14H2,1-2H3/p+1/t17-,18-/m1/s1
SMILES: C1C[C@@H]([C@@H]2[C@H]1[C@H](CC2)N3C=NC4=C(N=CN=C43)N)C(=O)N
InChI: InChI=1S/C14H18N6O/c15-12-11-14(18-5-17-12)20(6-19-11)10-4-3-7-8(10)1-2-9(7)13(16)21/h5-10H,1-4H2,(H2,16,21)(H2,15,17,18)/t7-,8-,9-,10-/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C30H40N2O8/c1-3-4-5-6-7-8-25(35)32(16-19-9-12-39-18-19)23-15-22(30(37)31-10-11-33)26-21-13-20(17-34)14-24(38-2)28(21)40-29(26)27(23)36/h9,12-15,18,23,26-27,29,33-34,36H,3-8,10-11,16-17H2,1-2H3,(H,31,37)/t23-,26+,27+,29+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCC5=CC=C(C=C5)O)C6=CC=CC=C6OCCO
InChI: InChI=1S/C33H31NO7/c1-18-16-26(37)25-17-24-21(28(30(25)31(18)38)22-4-2-3-5-27(22)41-15-14-35)10-11-23-29(24)33(40)34(32(23)39)13-12-19-6-8-20(36)9-7-19/h2-10,16,23-24,28-29,35-36H,11-15,17H2,1H3/t23-,24+,28+,29-/m0/s1
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OC[C@@H]2CCC[N@+]3([C@@H]2CCCC3)C)OC
InChI: InChI=1S/C23H36NO4/c1-4-5-15-27-21-12-11-18(16-22(21)26-3)23(25)28-17-19-9-8-14-24(2)13-7-6-10-20(19)24/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/q+1/t19-,20+,24-/m0/s1
SMILES: CCC(=O)N1CC[C@@]23[C@@]1(C[C@@H]([C@@]24[C@@H](C(=CC4=O)OC)C(=O)OCC)Cl)C(=C(C(=O)C3)OC)OC
InChI: InChI=1S/C24H30ClNO8/c1-6-17(29)26-9-8-22-11-13(27)19(32-4)20(33-5)23(22,26)12-15(25)24(22)16(28)10-14(31-3)18(24)21(30)34-7-2/h10,15,18H,6-9,11-12H2,1-5H3/t15-,18-,22+,23+,24+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SCC[Si](C)(C)C
InChI: InChI=1S/C15H26N2O4SSi/c1-10-8-17(15(20)16-14(10)19)13-7-12(11(9-18)21-13)22-5-6-23(2,3)4/h8,11-13,18H,5-7,9H2,1-4H3,(H,16,19,20)/t11-,12+,13-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC(=O)N(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-10(17(25)26-9-13(21)18-8-14(22)19(2)3)20-15(23)11-6-4-5-7-12(11)16(20)24/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)/t10-,11+,12+/m0/s1
SMILES: CSCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=CC=C3)[C@@]4([NH2+]1)C5=CC=CC=C5N(C4=O)CC=C
InChI: InChI=1S/C26H27N3O3S/c1-3-14-28-20-12-8-7-11-18(20)26(25(28)32)22-21(19(27-26)13-15-33-2)23(30)29(24(22)31)16-17-9-5-4-6-10-17/h3-12,19,21-22,27H,1,13-16H2,2H3/p+1/t19-,21+,22-,26-/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)C4=CC=CC=C4)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C31H30N2O5S/c1-21-27(20-39-28-12-5-6-17-33(28)36)37-31(38-29(21)23-15-13-22(19-34)14-16-23)25-10-7-11-26(18-25)32-30(35)24-8-3-2-4-9-24/h2-18,21,27,29,31,34H,19-20H2,1H3,(H,32,35)/t21-,27+,29+,31+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CBr)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H25BrO5/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-21,23H,12-14H2,1H3/t17-,18+,19+,20-,21+/m1/s1
SMILES: C[Si](C)(C)O[C@@]12CC(=O)O[C@H]3[C@@H]1[C@@H]([C@H]([C@H](C3)C2=C)CO)COCC4=CC=CC=C4
InChI: InChI=1S/C23H32O5Si/c1-15-17-10-20-22(23(15,11-21(25)27-20)28-29(2,3)4)19(18(17)12-24)14-26-13-16-8-6-5-7-9-16/h5-9,17-20,22,24H,1,10-14H2,2-4H3/t17-,18+,19-,20-,22+,23-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@@]3([C@H]2O1)C(=O)NCC(=O)N3)CO)O)C
InChI: InChI=1S/C12H18N2O7/c1-11(2)20-8-7(17)5(4-15)19-12(9(8)21-11)10(18)13-3-6(16)14-12/h5,7-9,15,17H,3-4H2,1-2H3,(H,13,18)(H,14,16)/t5-,7-,8+,9+,12+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-15-7-6-10-20(16(15)2)22-21(23)17-11-13-19(14-12-17)24-18-8-4-3-5-9-18/h3-5,8-9,11-16,20H,6-7,10H2,1-2H3,(H,22,23)/t15-,16-,20-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](O2)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C15H11F3O/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)Cl)O)OC)C)C7=CC=CC=C7)Cl
InChI: InChI=1S/C35H30Cl2N2O6/c1-17-9-10-20(15-25(17)36)38-31(41)22-12-11-21-23(28(22)33(38)43)16-24-32(42)39(19-7-5-4-6-8-19)34(44)35(24,2)29(21)18-13-26(37)30(40)27(14-18)45-3/h4-11,13-15,22-24,28-29,40H,12,16H2,1-3H3/t22-,23+,24-,28-,29-,35+/m0/s1
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C
InChI: InChI=1S/C30H44O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,14,20-21,24H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20-,21-,24+,28-,29-,30+/m1/s1
SMILES: COC1=CC=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H18BrNO/c1-22-17-10-4-9-16-14-7-3-8-15(14)18(21-19(16)17)12-5-2-6-13(20)11-12/h2-7,9-11,14-15,18,21H,8H2,1H3/t14-,15+,18-/m0/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4CCCCC4
InChI: InChI=1S/C29H39N3O6/c1-3-36-26(34)17-30-29(35)31-24-9-7-8-23(16-24)28-37-25(18-32-14-5-4-6-15-32)20(2)27(38-28)22-12-10-21(19-33)11-13-22/h7-13,16,20,25,27-28,33H,3-6,14-15,17-19H2,1-2H3,(H2,30,31,35)/t20-,25+,27+,28+/m0/s1
SMILES: COC1=CC=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9)O
InChI: InChI=1S/C45H42ClN3O6/c1-55-37-17-9-16-36(50)39(37)40-32-18-19-33-38(43(53)48(41(33)51)30-20-22-47(23-21-30)26-27-10-4-2-5-11-27)34(32)25-35-42(52)49(31-15-8-14-29(46)24-31)44(54)45(35,40)28-12-6-3-7-13-28/h2-18,24,30,33-35,38,40,50H,19-23,25-26H2,1H3/t33-,34+,35-,38-,40+,45+/m0/s1
SMILES: COC1=CC=CC(=C1)CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO)C(=O)CCC4CCCC4
InChI: InChI=1S/C34H45IN2O8/c1-43-26-9-5-8-23(16-26)12-14-37(31(40)11-10-22-6-3-4-7-22)28-19-25(34(42)36-13-15-38)20-29(32(28)41)45-33-27(35)17-24(21-39)18-30(33)44-2/h5,8-9,16-18,20,22,28-29,32,38-39,41H,3-4,6-7,10-15,19,21H2,1-2H3,(H,36,42)/t28-,29+,32+/m1/s1
SMILES: C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
InChI: InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
SMILES: C/C=C/[CH2-].CC1(O[C@@H]([C@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.[CH]1[CH][CH][CH][CH]1.[Ti+4]
InChI: InChI=1S/C31H28O4.C5H5.C4H7.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;1-3-4-2;/h3-22,27-28H,1-2H3;1-5H;3-4H,1H2,2H3;/q-2;;-1;+4/b;;4-3+;/t27-,28-;;;/m0.../s1
SMILES: C1=CC(=CC=C1C(=O)[O-])N[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C19H27NO12/c21-5-9-11(23)12(24)15(27)19(31-9)32-16-10(6-22)30-17(14(26)13(16)25)20-8-3-1-7(2-4-8)18(28)29/h1-4,9-17,19-27H,5-6H2,(H,28,29)/p-1/t9-,10-,11+,12+,13-,14-,15+,16+,17-,19+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]1C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC)CO
InChI: InChI=1S/C21H25NO3/c1-15-19(14-23)20(15)21(24)22(12-16-6-4-3-5-7-16)13-17-8-10-18(25-2)11-9-17/h3-11,15,19-20,23H,12-14H2,1-2H3/t15-,19+,20-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)O
InChI: InChI=1S/C35H33BrN2O6/c1-44-29-15-20(7-10-27(29)39)30-22-8-9-23-31(24(22)16-25-32(30)28(40)17-26(36)33(25)41)35(43)38(34(23)42)21-11-13-37(14-12-21)18-19-5-3-2-4-6-19/h2-8,10,15,17,21,23-24,30-31,39H,9,11-14,16,18H2,1H3/t23-,24+,30-,31-/m0/s1
SMILES: C[C@@H](CCC[C@@H](C)[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)CO
InChI: InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1NC2=N[C@@H]3[C@H](O2)[C@H]([C@H](O3)[C@@H](CO)O)O)O)O)O)CO
InChI: InChI=1S/C14H24N2O9/c17-2-4-1-5(8(21)9(22)7(4)20)15-14-16-13-12(25-14)10(23)11(24-13)6(19)3-18/h4-13,17-23H,1-3H2,(H,15,16)/t4-,5+,6-,7-,8+,9+,10+,11-,12-,13+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)Cl)OS(=O)(=O)Cl)OS(=O)(=O)Cl)C
InChI: InChI=1S/C9H13Cl3O12S3/c1-8(2)21-7-6(23-27(12,17)18)5(22-26(11,15)16)3-19-9(7,24-8)4-20-25(10,13)14/h5-7H,3-4H2,1-2H3/t5-,6-,7+,9+/m1/s1
SMILES: C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H20N2O5/c1-12(17(23)20-13-7-3-2-4-8-13)26-16(22)11-21-18(24)14-9-5-6-10-15(14)19(21)25/h2-8,12,14-15H,9-11H2,1H3,(H,20,23)/t12-,14-,15+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)COC(=O)COC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H27NO4/c25-22(24-12-11-18-6-2-4-8-20(18)14-24)15-28-23(26)16-27-21-10-9-17-5-1-3-7-19(17)13-21/h1,3,5,7,9-10,13,18,20H,2,4,6,8,11-12,14-16H2/t18-,20+/m0/s1
SMILES: CC(C)[C@H]1CC[C@]2([C@@]1(CC[C@@](C(=O)C2)(C)O)O)C
InChI: InChI=1S/C15H26O3/c1-10(2)11-5-6-13(3)9-12(16)14(4,17)7-8-15(11,13)18/h10-11,17-18H,5-9H2,1-4H3/t11-,13-,14-,15+/m1/s1
SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)OC(=S)N6C=CN=C6
InChI: InChI=1S/C36H52N2O5S/c1-21(18-26(41-22(2)39)30-33(5,6)43-30)23-10-14-35(8)24(23)19-25(42-31(44)38-17-16-37-20-38)29-34(7)13-12-28(40)32(3,4)27(34)11-15-36(29,35)9/h16-17,20-21,25-27,29-30H,10-15,18-19H2,1-9H3/t21-,25+,26+,27?,29+,30-,34+,35+,36+/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)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)O)O
InChI: InChI=1S/C36H31NO8/c1-44-21-15-27(38)31(28(16-21)45-2)32-22-13-14-23-30(35(42)37(43)34(23)41)25(22)17-26-33(40)24(19-9-5-3-6-10-19)18-29(39)36(26,32)20-11-7-4-8-12-20/h3-13,15-16,18,23,25-26,30,32,38,43H,14,17H2,1-2H3/t23-,25+,26-,30-,32+,36-/m0/s1
SMILES: C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@H]3O)(C)O)O)O)O
InChI: InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19-,20-/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C
InChI: InChI=1S/C23H34O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h13-14,18-20H,6-12H2,1-5H3/t14-,18-,19-,20-,21+,22+,23-/m1/s1
SMILES: C[C@]12[C@@H]([C@]3(C(=O)O[C@@]1(C3(C)C)CCCC2=O)OC)SC4=CC=CC=C4
InChI: InChI=1S/C20H24O4S/c1-17(2)19-12-8-11-14(21)18(19,3)15(20(17,23-4)16(22)24-19)25-13-9-6-5-7-10-13/h5-7,9-10,15H,8,11-12H2,1-4H3/t15-,18-,19+,20+/m0/s1
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)F)N3CCC(C3=O)NC(=O)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-12-26(20(16-23)17-41(39,40)24-10-7-22(30)8-11-24)36-14-13-25(28(36)38)34-27(37)19-5-4-6-21(15-19)29(31,32)33/h4-8,10-11,15,18,20,23,25-26H,9,12-14,16-17H2,1-3H3,(H,34,37)/t20-,23+,25?,26-/m0/s1
SMILES: C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5C(=O)C[C@](C6)(C)O)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O
InChI: InChI=1S/C37H44O13/c1-15-24(49-28-11-22(38)32(40)16(2)48-28)9-10-27(47-15)50-26-12-25(46-17(3)33(26)41)19-7-8-21-31(34(19)42)36(44)20-6-5-18-13-37(4,45)14-23(39)29(18)30(20)35(21)43/h5-8,15-17,22,24-28,32-33,38,40-42,45H,9-14H2,1-4H3/t15-,16+,17+,22+,24-,25+,26+,27-,28-,32+,33+,37+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H40ClNO20/c1-14(36)45-12-24-26(48-16(3)38)28(49-17(4)39)31(52-20(7)42)33(54-24)55-27-25(13-46-15(2)37)53-32(30(51-19(6)41)29(27)50-18(5)40)47-11-21-8-9-22(34)23(10-21)35(43)44/h8-10,24-33H,11-13H2,1-7H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C[C@@H]4C[C@H]5C[C@H]4C=C5)C6=CC=CC=C61
InChI: InChI=1S/C27H33N3/c1-2-30-26-6-4-3-5-24(26)25-17-21(8-10-27(25)30)18-28-11-13-29(14-12-28)19-23-16-20-7-9-22(23)15-20/h3-10,17,20,22-23H,2,11-16,18-19H2,1H3/t20-,22-,23+/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H](S1)[C@H]([C@@H](O2)SC3=CC=C(C=C3)[N+](=O)[O-])O)O
InChI: InChI=1S/C12H13NO5S2/c14-9-8-5-19-11(9)10(15)12(18-8)20-7-3-1-6(2-4-7)13(16)17/h1-4,8-12,14-15H,5H2/t8-,9+,10+,11+,12-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C21H17F2N5O2/c1-2-30-20(29)28-6-5-13-15(8-24)19(27)21(10-25,11-26)18(16(13)9-28)14-4-3-12(22)7-17(14)23/h3-5,7,15-16,18,27H,2,6,9H2,1H3/t15?,16-,18+/m0/s1
SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@H]([C@@H]([C@@H](CO3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)C5=CC(=C(C=C5)O)O
InChI: InChI=1S/C25H28O14/c26-11-2-1-9(3-12(11)27)16-6-14(29)19-13(28)4-10(5-17(19)38-16)37-24-23(34)21(32)18(8-36-24)39-25-22(33)20(31)15(30)7-35-25/h1-5,15-16,18,20-28,30-34H,6-8H2/t15-,16+,18-,20+,21-,22-,23+,24+,25+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC(=CC=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6I
InChI: InChI=1S/C26H15ClINO5/c27-14-7-5-6-13(12-14)21-19-20(25(33)29(24(19)32)18-11-4-3-10-17(18)28)26(34-21)22(30)15-8-1-2-9-16(15)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CCC4=C5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C)C
InChI: InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h24-26H,10-20H2,1-9H3/t24?,25-,26+,29-,30+,31-,32-/m1/s1
SMILES: CC1=C2[C@@H]3[C@@H]([C@@]4(CC[C@@H]([C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1O)OC5CCCCO5)OC6CCCCO6)(CO[Si](C)(C)C(C)(C)C)O)OS(=O)(=O)C)C)OC(O3)(C)C
InChI: InChI=1S/C40H70O12SSi/c1-25-26(41)23-40(49-29-18-14-16-22-46-29)34(48-28-17-13-15-21-45-28)32-38(9,33-31(30(25)36(40,5)6)50-37(7,8)51-33)20-19-27(52-53(10,43)44)39(32,42)24-47-54(11,12)35(2,3)4/h26-29,31-34,41-42H,13-24H2,1-12H3/t26-,27-,28?,29?,31+,32-,33-,34-,38+,39-,40+/m0/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@H]1CC/C(=C/COC(=O)C)/C)(CCCC2(C)C)C
InChI: InChI=1S/C22H36O2/c1-16(12-15-24-18(3)23)8-10-19-17(2)9-11-20-21(4,5)13-7-14-22(19,20)6/h9,12,19-20H,7-8,10-11,13-15H2,1-6H3/b16-12+/t19-,20-,22+/m0/s1
SMILES: CN(C)C1=NC(=NC2=C1C=C(C=C2)OC)N[C@H]3[C@@H]([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(=O)C7=CC=CC=C7
InChI: InChI=1S/C45H40N4O10/c1-49(2)39-33-26-32(54-3)24-25-34(33)46-45(47-39)48-40-38(59-44(53)31-22-14-7-15-23-31)37(58-43(52)30-20-12-6-13-21-30)36(57-42(51)29-18-10-5-11-19-29)35(56-40)27-55-41(50)28-16-8-4-9-17-28/h4-26,35-38,40H,27H2,1-3H3,(H,46,47,48)/t35-,36+,37+,38-,40-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@H](OC1(C)C)O)C2=C(C=CC3=C2O[C@@H](CC3=O)C4=CC=CC=C4)OC
InChI: InChI=1S/C24H26O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-11,18,20,22-23,27H,12H2,1-4H3/t18-,20+,22-,23-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP5SCCS5)C)C
InChI: InChI=1S/C29H49OPS2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(30-31-32-17-18-33-31)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: C[C@H](/C=C/C=C/S(=O)(=O)C(C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C29H44O4S/c1-20(10-7-8-17-34(32,33)28(3,4)5)25-14-15-26-22(11-9-16-29(25,26)6)12-13-23-18-24(30)19-27(31)21(23)2/h7-8,10,12-13,17,20,24-27,30-31H,2,9,11,14-16,18-19H2,1,3-6H3/b10-7+,17-8+,22-12+,23-13-/t20-,24+,25-,26+,27-,29-/m1/s1
SMILES: COC1=C(C(=C(C=C1)S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)Cl)Cl
InChI: InChI=1S/C14H17Cl2NO3S/c1-20-11-4-5-12(14(16)13(11)15)21(18,19)17-10-7-8-2-3-9(10)6-8/h4-5,8-10,17H,2-3,6-7H2,1H3/t8-,9-,10+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@H]4CC(=NO4)C(=O)N)O
InChI: InChI=1S/C20H20N4O8/c1-9(25)16-14-6-12(15-7-13(18(21)26)22-32-15)17(23(14)19(16)27)20(28)31-8-10-2-4-11(5-3-10)24(29)30/h2-5,9,14-16,25H,6-8H2,1H3,(H2,21,26)/t9-,14-,15-,16-/m1/s1
SMILES: C1C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2N1C(=O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C37H37NO8/c39-32-21-38(37(40)44-25-30-19-11-4-12-20-30)36-35(46-32)34(43-24-29-17-9-3-10-18-29)33(42-23-28-15-7-2-8-16-28)31(45-36)26-41-22-27-13-5-1-6-14-27/h1-20,31,33-36H,21-26H2/t31-,33-,34+,35-,36-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H30FN3O3S/c1-15-5-3-4-6-19(15)22-20(25)16(2)23-11-13-24(14-12-23)28(26,27)18-9-7-17(21)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,25)/p+1/t15-,16-,19-/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1C)[C@@H]3[C@H](C3(C)C)CCNC(=O)C
InChI: InChI=1S/C19H26N2O/c1-12-17(14-8-6-7-9-16(14)21(12)5)18-15(19(18,3)4)10-11-20-13(2)22/h6-9,15,18H,10-11H2,1-5H3,(H,20,22)/t15-,18+/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1CC1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N2O5/c1-9(17(23)24-10(2)14(20)18-11-7-8-11)19-15(21)12-5-3-4-6-13(12)16(19)22/h3-4,9-13H,5-8H2,1-2H3,(H,18,20)/t9-,10+,12-,13+/m0/s1
SMILES: C1CCC(C1)(C2=CN(N=N2)C[C@H]3C[C@H]4CC[NH+]3C[C@@H]4C(=O)NC5=NC=CS5)O
InChI: InChI=1S/C19H26N6O2S/c26-17(21-18-20-6-8-28-18)15-11-24-7-3-13(15)9-14(24)10-25-12-16(22-23-25)19(27)4-1-2-5-19/h6,8,12-15,27H,1-5,7,9-11H2,(H,20,21,26)/p+1/t13-,14-,15+/m1/s1
SMILES: COC1=CC=CC(=C1)CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)CCC=C
InChI: InChI=1S/C29H35IN2O6/c1-3-4-12-27(34)32(15-13-20-8-7-9-22(17-20)37-2)24-18-21(29(36)31-14-16-33)19-26(28(24)35)38-25-11-6-5-10-23(25)30/h3,5-11,17,19,24,26,28,33,35H,1,4,12-16,18H2,2H3,(H,31,36)/t24-,26+,28+/m1/s1
SMILES: CCCC[C@@H]1[C@H]2[C@@H]1C3=C(CCC3)CC[C@@H]2C(=O)CCCC
InChI: InChI=1S/C20H32O/c1-3-5-9-17-19-15-10-7-8-14(15)12-13-16(20(17)19)18(21)11-6-4-2/h16-17,19-20H,3-13H2,1-2H3/t16-,17+,19-,20+/m1/s1
SMILES: CCCC[C@H]1[C@H]2N([C@@H]3[C@H]4CC[C@@]([C@@H]3O2)(C4(C)C)C)O[C@@H]1[N+](=O)[O-]
InChI: InChI=1S/C17H28N2O4/c1-5-6-7-10-14-18(23-15(10)19(20)21)12-11-8-9-17(4,13(12)22-14)16(11,2)3/h10-15H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)NC2=CC=C(C=C2)C(=O)O)C=C(Cl)Cl)C
InChI: InChI=1S/C15H15Cl2NO3/c1-15(2)10(7-11(16)17)12(15)13(19)18-9-5-3-8(4-6-9)14(20)21/h3-7,10,12H,1-2H3,(H,18,19)(H,20,21)/t10-,12-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)NCCC(C)(C)C)(C)C)OC(O3)N(C)C)C)C=C
InChI: InChI=1S/C30H50N2O7/c1-12-27(7)17-18(33)30-28(8)19(36-24(38-30)32(10)11)13-14-26(5,6)21(28)20(22(34)29(30,9)39-27)37-23(35)31-16-15-25(2,3)4/h12,19-22,24,34H,1,13-17H2,2-11H3,(H,31,35)/t19-,20-,21-,22-,24?,27-,28-,29+,30-/m0/s1
SMILES: C1[C@@H]([C@H](N(C1=O)CC2=CC3=C(C=C2I)OCO3)[Se]C4=CC=CC=C4)O
InChI: InChI=1S/C18H16INO4Se/c19-13-7-16-15(23-10-24-16)6-11(13)9-20-17(22)8-14(21)18(20)25-12-4-2-1-3-5-12/h1-7,14,18,21H,8-10H2/t14-,18+/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CCC(=O)C6)C)O)C)C)OC1
InChI: InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-24,29H,5-14H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/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(=C5Br)Br)O)OC)C(=O)N(C4=O)C(=O)OC)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C30H26Br2N2O8/c1-30-18(26(37)33(28(30)39)13-7-5-4-6-8-13)11-16-14(21(30)17-12-19(41-2)24(35)23(32)22(17)31)9-10-15-20(16)27(38)34(25(15)36)29(40)42-3/h4-9,12,15-16,18,20-21,35H,10-11H2,1-3H3/t15-,16+,18-,20-,21+,30+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CC=C8
InChI: InChI=1S/C41H33Cl2F3N4O6/c42-26-10-8-24(9-11-26)40-31(37(53)50(39(40)55)48-35-32(43)18-25(20-47-35)41(44,45)46)19-30-28(34(40)23-6-12-27(13-7-23)56-17-16-51)14-15-29-33(30)38(54)49(36(29)52)21-22-4-2-1-3-5-22/h1-14,18,20,29-31,33-34,51H,15-17,19,21H2,(H,47,48)/t29-,30+,31-,33-,34-,40+/m0/s1