EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H](CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)NS(=O)(=O)CC45CCC(C4(C)C)CC5=O
InChI: InChI=1S/C27H32Cl2N2O3S/c1-17-23(30-35(33,34)16-27-13-12-20(14-24(27)32)26(27,2)3)15-31(17)25(18-4-8-21(28)9-5-18)19-6-10-22(29)11-7-19/h4-11,17,20,23,25,30H,12-16H2,1-3H3/t17-,20?,23+,27?/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O
InChI: InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13?,14?/m0/s1
SMILES: C1CC1C[C@@H]([C@H]2[C@@H](CC3=CC=CC=C23)NC(=O)C4=CC5=C(N4)C(=C(S5)Cl)Cl)C(=O)O
InChI: InChI=1S/C22H20Cl2N2O3S/c23-18-19-16(30-20(18)24)9-15(25-19)21(27)26-14-8-11-3-1-2-4-12(11)17(14)13(22(28)29)7-10-5-6-10/h1-4,9-10,13-14,17,25H,5-8H2,(H,26,27)(H,28,29)/t13-,14+,17-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]
InChI: InChI=1S/C18H25N3O5/c1-11-5-4-6-14(12(11)2)20-17(22)10-26-18(23)13-7-8-15(19-3)16(9-13)21(24)25/h7-9,11-12,14,19H,4-6,10H2,1-3H3,(H,20,22)/t11-,12-,14-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)COP(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)OC(CN(C)C)(C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C20H30Cl6NO11P/c1-17(2)36-13-12(37-18(8-27(3)4,15(28)30-5)16(29)31-6)11(35-14(13)38-17)7-32-39(33-9-19(21,22)23)34-10-20(24,25)26/h11-14H,7-10H2,1-6H3/t11-,12-,13+,14+/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)[C@H]([C@H](O1)OC)OC(=O)C2=C(C=C(C=C2C)O)O)O
InChI: InChI=1S/C15H18O8/c1-6-4-8(16)5-9(17)10(6)14(20)23-13-12(19)11(18)7(2)22-15(13)21-3/h4-5,7,11,13,15-18H,1-3H3/t7-,11-,13-,15+/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C)N=C(C1=O)C
InChI: InChI=1S/C23H31N3O4/c1-6-26-20-11-10-17(12-19(20)24-15(4)22(26)28)23(29)30-16(5)21(27)25-18-9-7-8-13(2)14(18)3/h10-14,16,18H,6-9H2,1-5H3,(H,25,27)/t13-,14-,16+,18-/m0/s1
SMILES: C[C@]12CC[C@](C1(C)C)(C[C@@H]2O)C(=O)NNC(=O)[C@]34CC[C@](C3(C)C)([C@H](C4)O)C
InChI: InChI=1S/C22H36N2O4/c1-17(2)19(5)7-9-21(17,11-13(19)25)15(27)23-24-16(28)22-10-8-20(6,14(26)12-22)18(22,3)4/h13-14,25-26H,7-12H2,1-6H3,(H,23,27)(H,24,28)/t13-,14-,19-,20+,21+,22-/m0/s1
SMILES: CC(C)[C@H]1[C@H](C(=O)C2=C3C4=C([C@H](CC[C@]4(CC[C@]12C)C)Br)C(=O)O3)OC(=O)C
InChI: InChI=1S/C22H27BrO5/c1-10(2)14-19(27-11(3)24)17(25)16-18-15-13(20(26)28-18)12(23)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,19H,6-9H2,1-5H3/t12-,14-,19+,21-,22+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@H]([C@H](C(=O)O3)OS(=O)(=O)C(F)(F)F)OC(O2)(C)C)C
InChI: InChI=1S/C14H19F3O9S/c1-12(2)21-5-6(23-12)7-8-9(25-13(3,4)24-7)10(11(18)22-8)26-27(19,20)14(15,16)17/h6-10H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC(=C(C=C6)Cl)C
InChI: InChI=1S/C30H22ClNO7/c1-3-38-29(37)16-8-11-18(12-9-16)32-27(35)22-23(28(32)36)30(25(33)19-6-4-5-7-20(19)26(30)34)39-24(22)17-10-13-21(31)15(2)14-17/h4-14,22-24H,3H2,1-2H3/t22-,23-,24-/m0/s1
SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O
InChI: InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14?,16-,18-,19+,20-,21?/m1/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCSCCO)C(=O)N4CCCC4)CN1C(=O)C5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C34H39N3O5S/c1-42-33(41)34(22-24-10-4-2-5-11-24)30-26(23-37(34)31(39)25-12-6-3-7-13-25)20-28-27(30)21-29(32(40)35-14-8-9-15-35)36(28)16-18-43-19-17-38/h2-7,10-13,21,26,30,38H,8-9,14-20,22-23H2,1H3/t26-,30+,34+/m0/s1
SMILES: CC/C/1=C(/C(=C(\C[C@@H]([C@H](C1)C)CC#CC2=CC=CC=C2)/CC)/CC)\CC
InChI: InChI=1S/C26H36/c1-6-22-18-20(5)24(17-13-16-21-14-11-10-12-15-21)19-23(7-2)26(9-4)25(22)8-3/h10-12,14-15,20,24H,6-9,17-19H2,1-5H3/b25-22-,26-23-/t20-,24-/m0/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OO[O+]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
InChI: InChI=1S/C19H23N7O16P2/c20-14-10-16(23-6-22-14)26(7-24-10)18-13(29)19(31)42(38-18)39-40-44(34,35)41-43(32,33)36-5-9-11(27)12(28)17(37-9)25-3-1-2-8(4-25)15(21)30/h1-4,6-7,9,11-13,17-19,27-29,31H,5H2,(H4-2,20,21,22,23,30,32,33,34,35)/p+2/t9-,11-,12-,13+,17-,18-,19-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H23N3O6/c1-11(23-18(26)14-4-2-3-5-15(14)19(23)27)20(28)29-10-16(24)22-13-8-6-12(7-9-13)17(21)25/h6-9,11,14-15H,2-5,10H2,1H3,(H2,21,25)(H,22,24)/t11-,14+,15+/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@H]2[C@@H]3CCCC=C3C(C(=C2C#N)N)(C#N)C#N
InChI: InChI=1S/C21H20N4O2/c1-26-17-9-5-7-14(19(17)27-2)18-13-6-3-4-8-16(13)21(11-23,12-24)20(25)15(18)10-22/h5,7-9,13,18H,3-4,6,25H2,1-2H3/t13-,18-/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H12ClF4NO/c18-11-4-1-9(2-5-11)12-8-13(12)16(24)23-15-7-10(17(20,21)22)3-6-14(15)19/h1-7,12-13H,8H2,(H,23,24)/t12-,13+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H25ClN4O2S/c1-12-4-3-5-16(13(12)2)21-18(25)11-27-19-22-17(23-24-19)10-26-15-8-6-14(20)7-9-15/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,21,25)(H,22,23,24)/t12-,13+,16+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)OC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H58N2O6Si3/c1-31(2,3)42(10,11)37-23-25-27(40-43(12,13)32(4,5)6)28(41-44(14,15)33(7,8)9)29(39-25)35-22-21-26(34-30(35)36)38-24-19-17-16-18-20-24/h16-22,25,27-29H,23H2,1-15H3/t25-,27-,28-,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C22H26N2O5/c1-15-6-2-5-9-19(15)23-22(27)24-20(25)13-29-21(26)14-28-18-11-10-16-7-3-4-8-17(16)12-18/h3-4,7-8,10-12,15,19H,2,5-6,9,13-14H2,1H3,(H2,23,24,25,27)/t15-,19-/m1/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(=O)N(C2=O)[C@@H]3CCCC[C@@H]3C)C
InChI: InChI=1S/C21H27N3O6/c1-5-30-20(28)16-12(3)17(22-13(16)4)15(25)10-23-18(26)19(27)24(21(23)29)14-9-7-6-8-11(14)2/h11,14,22H,5-10H2,1-4H3/t11-,14+/m0/s1
SMILES: C=C[C@@H]1[C@H](C1C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5
InChI: InChI=1S/C25H26N4O3/c1-2-17-21(25(31)32)22(17)28-24(30)15-11-12-20-19(14-15)27-23(18-10-6-7-13-26-18)29(20)16-8-4-3-5-9-16/h2,6-7,10-14,16-17,21-22H,1,3-5,8-9H2,(H,28,30)(H,31,32)/t17-,21?,22+/m0/s1
SMILES: CCOC(=O)[C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C18H26O11/c1-7-24-17(23)15(26-10(4)20)13-8(2)14(25-9(3)19)16(27-11(5)21)18(29-13)28-12(6)22/h8,13-16,18H,7H2,1-6H3/t8-,13+,14+,15-,16-,18+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC[NH+]4CCOCC4)N=C(S3)NC(=O)C5=CC=C(C=C5)OC)(C)CO)O
InChI: InChI=1S/C30H42N4O6S/c1-29-9-8-24(36)30(2,18-35)23(29)17-22-26(21(29)16-25(37)31-10-11-34-12-14-40-15-13-34)32-28(41-22)33-27(38)19-4-6-20(39-3)7-5-19/h4-7,21,23-24,35-36H,8-18H2,1-3H3,(H,31,37)(H,32,33,38)/p+1/t21-,23+,24-,29+,30+/m1/s1
SMILES: CC1=CC(=O)OC2=C1C=CC3=C2C[C@H]([C@@H](C3)NC4=CC=C(C=C4)[N+](=O)[O-])O
InChI: InChI=1S/C20H18N2O5/c1-11-8-19(24)27-20-15(11)7-2-12-9-17(18(23)10-16(12)20)21-13-3-5-14(6-4-13)22(25)26/h2-8,17-18,21,23H,9-10H2,1H3/t17-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H31N3O3S/c1-18-6-2-5-9-22(18)24-23(27)17-25-12-14-26(15-13-25)30(28,29)21-11-10-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3,(H,24,27)/p+1/t18-,22-/m0/s1
SMILES: C[C@@H]1[C@@H](CC(C2=CC=CC=C12)(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H24O/c1-14-17-7-5-6-8-19(17)20(2,3)13-18(14)15-9-11-16(21-4)12-10-15/h5-12,14,18H,13H2,1-4H3/t14-,18+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C25H32O5S2Si/c1-25(2,3)33(4,5)30-23-19-13-12-18-22(23)24(31(26,27)20-14-8-6-9-15-20)32(28,29)21-16-10-7-11-17-21/h6-19,22-24H,1-5H3/t22-,23-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@]2(O1)C[C@@H]([NH+](C[C@@H]2C)C)C)C
InChI: InChI=1S/C13H23NO3/c1-6-16-11(15)12(4)13(17-12)7-10(3)14(5)8-9(13)2/h9-10H,6-8H2,1-5H3/p+1/t9-,10-,12+,13+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H](N2C[C@@H](CC2[C@H]1OC(=O)C)OC(=O)C)C(=O)OC
InChI: InChI=1S/C16H23NO8/c1-8(18)23-11-5-12-15(25-10(3)20)14(24-9(2)19)6-13(16(21)22-4)17(12)7-11/h11-15H,5-7H2,1-4H3/t11-,12?,13-,14+,15-/m1/s1
SMILES: C1[C@H]([C@H](C[NH2+][C@H]1C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C18H19NO2/c20-18(21)16-12-19-17(14-9-5-2-6-10-14)11-15(16)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2,(H,20,21)/t15-,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)C4=CC=CC=C4CNS(=O)(=O)C5=CC=CC=C5)CN(C)CC=C
InChI: InChI=1S/C36H40N2O5S/c1-4-22-38(3)24-34-26(2)35(29-16-14-27(25-39)15-17-29)43-36(42-34)30-20-18-28(19-21-30)33-13-9-8-10-31(33)23-37-44(40,41)32-11-6-5-7-12-32/h4-21,26,34-37,39H,1,22-25H2,2-3H3/t26-,34+,35+,36+/m1/s1
SMILES: CC1=C(SC(=C1Br)C(=C)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2.C[C@H]([C@H]1[C@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O
InChI: InChI=1S/C26H44O9.C20H21BrFN3OS/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)/b16-13+;/t17-,18-,19-,20-,21+,24+,25-,26-;/m0./s1
SMILES: CC1CC(C(=O)[C@]2(C1CC3[C@@]4(C2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)O
InChI: InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9?,11?,12-,13?,14?,18?,20+,21-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CSC2=CC=CC(=C2)NC(=O)C(F)(F)F)C(=O)NCC#N
InChI: InChI=1S/C18H20F3N3O2S/c19-18(20,21)17(26)24-13-5-3-6-14(10-13)27-11-12-4-1-2-7-15(12)16(25)23-9-8-22/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,23,25)(H,24,26)/t12-,15+/m0/s1
SMILES: CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)CO
InChI: InChI=1S/C21H26N2O5/c1-22-7-11(9-24)5-14-13-3-2-4-15-18(13)12(6-16(14)22)8-23(15)21-20(27)19(26)17(10-25)28-21/h2-5,8,11,16-17,19-21,24-27H,6-7,9-10H2,1H3/t11-,16-,17-,19-,20-,21-/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)[C@@H]4[C@H](C4(C)C)CCNC(=O)CCl
InChI: InChI=1S/C25H29ClN2O/c1-17-23(24-20(25(24,2)3)13-14-27-22(29)15-26)19-11-7-8-12-21(19)28(17)16-18-9-5-4-6-10-18/h4-12,20,24H,13-16H2,1-3H3,(H,27,29)/t20-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]2C(=O)OC)C3=CC=C(C=C3)Br
InChI: InChI=1S/C17H16BrNO4S/c1-11-3-9-14(10-4-11)24(21,22)19-15(16(19)17(20)23-2)12-5-7-13(18)8-6-12/h3-10,15-16H,1-2H3/t15-,16-,19?/m0/s1
SMILES: CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N\NC(=O)OCC)O)O
InChI: InChI=1S/C20H29N3O8/c1-3-30-14(25)7-8-23-18(27)11-6-5-10-12(21-22-20(29)31-4-2)9-13(24)17(26)15(10)16(11)19(23)28/h10-11,13,15-17,24,26H,3-9H2,1-2H3,(H,22,29)/b21-12+/t10-,11+,13+,15-,16+,17+/m0/s1
SMILES: CC(C)N1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2CCC4)C(=O)NC1=S
InChI: InChI=1S/C18H20N4O4S/c1-10(2)21-16(24)18(15(23)19-17(21)27)9-11-8-12(22(25)26)5-6-13(11)20-7-3-4-14(18)20/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,19,23,27)/t14-,18-/m1/s1
SMILES: CC(=CC(=O)[O-])CC[C@@H]1[C@]2(CCCC([C@H]2CC[C@@]1(C)OC=O)(C)C)C
InChI: InChI=1S/C21H34O4/c1-15(13-18(23)24)7-8-17-20(4)11-6-10-19(2,3)16(20)9-12-21(17,5)25-14-22/h13-14,16-17H,6-12H2,1-5H3,(H,23,24)/p-1/t16-,17-,20+,21-/m1/s1
SMILES: CC[C@](C)([C@H](C(=O)O)O)OC1=C(C=CC(=C1)[C@@H]2[C@H](N=C(O2)C3=CC=C(C=C3)OC)C(=O)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C31H33NO9/c1-5-31(2,27(33)29(34)35)41-24-17-21(13-16-23(24)39-18-19-9-7-6-8-10-19)26-25(30(36)38-4)32-28(40-26)20-11-14-22(37-3)15-12-20/h6-17,25-27,33H,5,18H2,1-4H3,(H,34,35)/t25-,26+,27-,31+/m0/s1
SMILES: CCCCCCCCCCC(CCCCCCCCC)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O
InChI: InChI=1S/C26H53O9P/c1-3-5-7-9-11-13-15-17-19-21(18-16-14-12-10-8-6-4-2)35-36(31,32)33-20-22-23(27)24(28)25(29)26(30)34-22/h21-30H,3-20H2,1-2H3,(H,31,32)/t21?,22-,23-,24+,25+,26+/m1/s1
SMILES: C[C@@H]1C[C@@H](C2[C@H]([C@H](C=CC2=C1)C)CC[C@@H](C[C@H](CC(=O)O)O)O)O
InChI: InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14-,15+,16-,17-,19?/m0/s1
SMILES: C1CC1N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C12H13NO4/c14-10-9-8(11(15)16)7-3-4-12(9,17-7)5-13(10)6-1-2-6/h3-4,6-9H,1-2,5H2,(H,15,16)/p-1/t7-,8+,9+,12-/m1/s1
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC(=C(C=C3)[C@@H]4[C@H](C(=O)N4C5=CC=CC=C5)CC[C@@H](C6=CC=C(C=C6)F)O)OCC7=CC=CC=C7
InChI: InChI=1S/C43H43BFNO5/c1-42(2)43(3,4)51-44(50-42)33-20-15-30(16-21-33)32-19-24-36(39(27-32)49-28-29-11-7-5-8-12-29)40-37(41(48)46(40)35-13-9-6-10-14-35)25-26-38(47)31-17-22-34(45)23-18-31/h5-24,27,37-38,40,47H,25-26,28H2,1-4H3/t37-,38+,40-/m1/s1
SMILES: CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C14H16N2O4S2/c1-2-21-14-15-10-6-22(17,18)7-11(10)16(14)9-3-4-12-13(5-9)20-8-19-12/h3-5,10-11H,2,6-8H2,1H3/t10-,11-/m1/s1
SMILES: C1=CC(=CC(=C1)OC[C@@H]2[C@@H](O2)C/C=C/C/C=C/CCCC(=O)O)C(F)(F)F
InChI: InChI=1S/C20H23F3O4/c21-20(22,23)15-9-8-10-16(13-15)26-14-18-17(27-18)11-6-4-2-1-3-5-7-12-19(24)25/h1,3-4,6,8-10,13,17-18H,2,5,7,11-12,14H2,(H,24,25)/b3-1+,6-4+/t17-,18+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OC2CCCCC2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H31NO9/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)30-20(17)29-15-8-6-5-7-9-15/h15-20H,5-10H2,1-4H3,(H,21,22)/t16-,17-,18+,19+,20-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C20H25N3O5S/c1-12(2)16-8-7-13(3)9-17(16)27-18(24)11-29-20-22-21-19(28-20)14-5-4-6-15(10-14)23(25)26/h4-6,10,12-13,16-17H,7-9,11H2,1-3H3/t13-,16+,17+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#CCCCCl)O)C)O
InChI: InChI=1S/C24H35ClO2/c1-22-12-8-18(26)16-17(22)6-7-19-20(22)9-13-23(2)21(19)10-14-24(23,27)11-4-3-5-15-25/h6,18-21,26-27H,3,5,7-10,12-16H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C24H23BrClNO9/c1-12(28)33-20-11-32-24(22(35-14(3)30)21(20)34-13(2)29)36-19-9-4-15(25)10-18(19)23(31)27-17-7-5-16(26)6-8-17/h4-10,20-22,24H,11H2,1-3H3,(H,27,31)/t20-,21+,22-,24+/m1/s1
SMILES: CC1=NN(C(=O)C1)[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/C16H26N2O11/c1-5-2-8(21)18(17-5)15-12(25)11(24)14(7(4-20)27-15)29-16-13(26)10(23)9(22)6(3-19)28-16/h6-7,9-16,19-20,22-26H,2-4H2,1H3/t6-,7-,9+,10+,11-,12-,13-,14-,15-,16+/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCC(=C)[C@]2([C@H]1[C@@](C(=C)C(=O)[C@@H]2O)(C)CC(C3(CC(=O)OC3)O)OC(=O)/C(=C/C)/C)C
InChI: InChI=1S/C30H40O9/c1-9-16(3)26(34)38-20-12-11-18(5)29(8)24(20)28(7,19(6)23(32)25(29)33)13-21(39-27(35)17(4)10-2)30(36)14-22(31)37-15-30/h9-10,20-21,24-25,33,36H,5-6,11-15H2,1-4,7-8H3/b16-9+,17-10+/t20-,21?,24-,25+,28+,29+,30?/m1/s1
SMILES: COC(=O)C1=C2C[C@@H](N([C@H]3[C@@]2(CCCC3)OC1=O)CC=C)C4=CC=CC=C4
InChI: InChI=1S/C22H25NO4/c1-3-13-23-17(15-9-5-4-6-10-15)14-16-19(20(24)26-2)21(25)27-22(16)12-8-7-11-18(22)23/h3-6,9-10,17-18H,1,7-8,11-14H2,2H3/t17-,18-,22+/m1/s1
SMILES: CCCC[C@@H]1[C@@H]([S+]2C3=CC=CC=C3[S+]1C4=CC=CC=C42)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C19H22S2.2ClHO4/c1-3-4-9-15-14(2)20-16-10-5-7-12-18(16)21(15)19-13-8-6-11-17(19)20;2*2-1(3,4)5/h5-8,10-15H,3-4,9H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t14-,15+,20?,21?;;/m0../s1
SMILES: CC1([C@@H]2[C@H]1C(=O)N([C@@H]2O)C3=CC=C(C=C3)OC)C
InChI: InChI=1S/C14H17NO3/c1-14(2)10-11(14)13(17)15(12(10)16)8-4-6-9(18-3)7-5-8/h4-7,10-12,16H,1-3H3/t10-,11+,12-/m1/s1
SMILES: CC1=CC=CN1S(=O)(=O)C2=CC=C(S2)C(=O)N[C@@H]3[C@H](C[C@@H]4C[C@H]3C4(C)C)CCCC/C=C/C(=O)O
InChI: InChI=1S/C26H34N2O5S2/c1-17-9-8-14-28(17)35(32,33)23-13-12-21(34-23)25(31)27-24-18(10-6-4-5-7-11-22(29)30)15-19-16-20(24)26(19,2)3/h7-9,11-14,18-20,24H,4-6,10,15-16H2,1-3H3,(H,27,31)(H,29,30)/b11-7+/t18-,19+,20+,24+/m0/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)COC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H27Cl3N2O2/c24-23(25,26)22(30-15-17-9-6-14-28-13-4-3-12-20(17)28)27-21(29)19-11-5-8-16-7-1-2-10-18(16)19/h1-2,5,7-8,10-11,17,20,22H,3-4,6,9,12-15H2,(H,27,29)/t17-,20+,22?/m0/s1
SMILES: C[C@]12C[C@]13C(=O)OC[C@@]3([C@H]([C@H]4[C@@H]2CC(C4)(C)C)O)O
InChI: InChI=1S/C15H22O4/c1-12(2)4-8-9(5-12)13(3)6-14(13)11(17)19-7-15(14,18)10(8)16/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10+,13-,14+,15+/m1/s1
SMILES: C/C=C/C(C[C@H]1CC[C@@H]([C@@H](O1)CCOC(=O)C2=CC=CC=C2)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H42O4Si/c1-8-12-23(30-31(6,7)26(3,4)5)19-22-16-15-20(2)24(29-22)17-18-28-25(27)21-13-10-9-11-14-21/h8-14,20,22-24H,15-19H2,1-7H3/b12-8+/t20-,22+,23?,24-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C
InChI: InChI=1S/C26H21NO2/c1-15-11-13-16(14-12-15)27-24(28)22-21-17-7-3-5-9-19(17)26(2,23(22)25(27)29)20-10-6-4-8-18(20)21/h3-14,21-23H,1-2H3/t21?,22-,23+,26?/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)C[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C36H59NO16Si/c1-17(2)54(18(3)4,19(5)6)53-36-31(37-20(7)38)27(32(47-23(10)41)29(52-36)15-45-21(8)39)14-28-33(48-24(11)42)35(50-26(13)44)34(49-25(12)43)30(51-28)16-46-22(9)40/h17-19,27-36H,14-16H2,1-13H3,(H,37,38)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
SMILES: C[C@@]12CCC[C@@H]1C3=C(CC2)C4=C(C=C3)C(=C(C=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)C7=C(C=CC8=C7C=CC9=C8CC[C@]1([C@@H]9CCC1)C)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C60H56P2/c1-59-37-15-25-53(59)49-27-29-51-45(47(49)35-39-59)31-33-55(61(41-17-7-3-8-18-41)42-19-9-4-10-20-42)57(51)58-52-30-28-50-48(36-40-60(2)38-16-26-54(50)60)46(52)32-34-56(58)62(43-21-11-5-12-22-43)44-23-13-6-14-24-44/h3-14,17-24,27-34,53-54H,15-16,25-26,35-40H2,1-2H3/t53-,54-,59+,60+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC=C4)C)O)O)C
InChI: InChI=1S/C24H38O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h4,6,14-20,22,25-26H,5,7-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=CC(=NC4=O)N)O
InChI: InChI=1S/C19H26N5O10P/c1-9-6-24(19(29)22-17(9)27)15-4-10(26)13(33-15)8-31-35(30)34-11-5-16(32-12(11)7-25)23-3-2-14(20)21-18(23)28/h2-3,6,10-13,15-16,25-26,30H,4-5,7-8H2,1H3,(H2,20,21,28)(H,22,27,29)/t10-,11-,12+,13+,15+,16+,35?/m0/s1
SMILES: CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC(=C(C=C3)OC4CC4)F
InChI: InChI=1S/C23H31FN2O7/c1-11(2)26-12(3)15(8-13-4-7-17(16(24)9-13)31-14-5-6-14)22(25-26)33-23-21(30)20(29)19(28)18(10-27)32-23/h4,7,9,11,14,18-21,23,27-30H,5-6,8,10H2,1-3H3/t18-,19-,20+,21-,23+/m1/s1
SMILES: C1=CC=C(C(=C1)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CI)O)O)O)F
InChI: InChI=1S/C12H14FIO5/c13-6-3-1-2-4-7(6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,15-17H,5H2/t8-,9+,10+,11-,12+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OP(N(C(C)C)C(C)C)F
InChI: InChI=1S/C35H41FN3O5P/c1-24(2)39(25(3)4)45(36)44-30-21-32(38-22-26(5)33(40)37-34(38)41)43-31(30)23-42-35(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,22,24-25,30-32H,21,23H2,1-5H3,(H,37,40,41)/t30-,31+,32+,45?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)C
InChI: InChI=1S/C36H34N2O7S/c1-25-18-20-30(21-19-25)46(41,42)45-31-22-33(38-23-26(2)34(39)37-35(38)40)44-32(31)24-43-36(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,23,31-33H,22,24H2,1-2H3,(H,37,39,40)/t31-,32-,33-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H13N3O5/c1-10-5-7-12(8-6-10)20-17(22)14-15(19-26-16(14)18(20)23)11-3-2-4-13(9-11)21(24)25/h2-9,14,16H,1H3/t14-,16+/m0/s1
SMILES: CC1=NC(C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)C=O)N
InChI: InChI=1S/C12H17N5O3/c1-6-15-11(13)10-12(16-6)17(5-14-10)9-2-7(3-18)8(4-19)20-9/h3,5,7-9,11,19H,2,4,13H2,1H3,(H,15,16)/t7-,8-,9-,11?/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C26H32O14/c27-9-16-18(30)20(32)21(33)25(38-16)40-23-19(31)17(10-28)39-26(22(23)34)37-15-7-6-14(29)8-13(15)11-36-24(35)12-4-2-1-3-5-12/h1-8,16-23,25-34H,9-11H2/t16-,17-,18-,19-,20+,21-,22-,23+,25+,26-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C17H19Cl2NO3/c18-13-2-1-3-14(19)17(13)20-15(21)9-23-16(22)8-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2,(H,20,21)/t10-,11+,12-/m0/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CCN6C7=CC=CC=C7N=N6)N(C4=O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C9=CC=CC=C9OCCO)C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C59H53N7O10/c67-35-36-74-49-25-13-10-22-44(49)54-59(50(55(68)62-32-14-2-1-3-15-33-62)52-56(69)76-53(42-20-8-5-9-21-42)51(65(52)54)41-18-6-4-7-19-41)45-37-39(17-16-34-63-48-24-12-11-23-46(48)60-61-63)28-31-47(45)64(57(59)70)58(71)75-38-40-26-29-43(30-27-40)66(72)73/h4-13,18-31,37,50-54,67H,1-3,14-15,32-36,38H2/t50-,51-,52-,53+,54+,59-/m0/s1
SMILES: C[C@H](C[C@@H]1[C@H](C(=C)C(=O)O1)C2=CC=CC=C2)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C
InChI: InChI=1S/C33H42O4/c1-20(17-30-31(22(3)32(36)37-30)24-9-6-5-7-10-24)27-14-15-28-23(11-8-16-33(27,28)4)12-13-25-18-26(34)19-29(35)21(25)2/h5-7,9-10,12-13,20,26-31,34-35H,2-3,8,11,14-19H2,1,4H3/b23-12+,25-13-/t20-,26-,27-,28+,29+,30-,31-,33-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]2[C@H]([C@@]1(C)O)C[C@@H]3[C@@H](C(=O)O[C@@H]3C=C2C)C
InChI: InChI=1S/C20H28O5/c1-6-10(2)18(21)25-17-9-13-11(3)7-16-14(12(4)19(22)24-16)8-15(13)20(17,5)23/h6-7,12-17,23H,8-9H2,1-5H3/b10-6+/t12-,13-,14+,15+,16+,17+,20+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O[Si](C)(C)C(C)(C)C)C)[C@@H](CCC(C)C)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChI: InChI=1S/C39H72O4Si2.3CO.Fe/c1-25(2)16-21-32(42-44(12,13)36(4,5)6)26(3)28-19-20-29-27-17-18-30-35(41)31(40)22-23-38(30,10)34(27)33(24-39(28,29)11)43-45(14,15)37(7,8)9;3*1-2;/h17-18,25-26,28-29,31-35,40-41H,16,19-24H2,1-15H3;;;;/t26-,28+,29-,31-,32+,33+,34+,35+,38-,39+;;;;/m0..../s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)SC2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C)OC(=O)CN3C=C[N+](=C3)C.[Cl-]
InChI: InChI=1S/C28H41N2O8SSi.ClH/c1-19(31)35-25-24(38-23(33)16-30-15-14-29(6)18-30)22(17-34-40(7,8)28(3,4)5)37-27(26(25)36-20(2)32)39-21-12-10-9-11-13-21;/h9-15,18,22,24-27H,16-17H2,1-8H3;1H/q+1;/p-1/t22-,24-,25+,26-,27+;/m1./s1
SMILES: COC1=C(C(=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O)C(=O)N(C3=O)C7=CC=CC(=C7)C(=O)O)I)O
InChI: InChI=1S/C35H27IN2O10/c1-48-25-13-17(12-24(36)29(25)39)26-20-8-9-21-27(32(42)37(30(21)40)18-6-2-4-15(10-18)34(44)45)22(20)14-23-28(26)33(43)38(31(23)41)19-7-3-5-16(11-19)35(46)47/h2-8,10-13,21-23,26-28,39H,9,14H2,1H3,(H,44,45)(H,46,47)/t21-,22+,23+,26-,27-,28+/m0/s1
SMILES: C[C@@H](C(=O)NC1=NN=C(S1)CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N4O3S/c1-9(2)8-13-19-20-17(25-13)18-14(22)10(3)21-15(23)11-6-4-5-7-12(11)16(21)24/h4-5,9-12H,6-8H2,1-3H3,(H,18,20,22)/t10-,11-,12+/m0/s1
SMILES: CC(=O)OC[C@]12CC[C@@H](C=C1CC[C@]3(C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
InChI: InChI=1S/C26H34O7/c1-16(27)33-15-24-10-6-19(28)13-18(24)5-11-25(30)21(24)8-9-23(2)20(7-12-26(23,25)31)17-3-4-22(29)32-14-17/h3-4,13-14,19-21,28,30-31H,5-12,15H2,1-2H3/t19-,20+,21?,23+,24+,25+,26+/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])N5N2CCC5
InChI: InChI=1S/C21H20N4O5/c1-30-16-9-3-2-8-15(16)18-17-19(23-11-5-10-22(18)23)21(27)24(20(17)26)13-6-4-7-14(12-13)25(28)29/h2-4,6-9,12,17-19H,5,10-11H2,1H3/t17-,18+,19+/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1[C@H]3CC(=C)[C@@]4(C[C@@H]([C@]([C@@H]2O3)(O4)C)OC(=O)C)O)C(C)C
InChI: InChI=1S/C22H32O5/c1-11(2)15-8-7-12(3)18-16-9-13(4)22(24)10-17(25-14(5)23)21(6,27-22)20(26-16)19(15)18/h7,11,15-20,24H,4,8-10H2,1-3,5-6H3/t15-,16-,17+,18-,19-,20-,21-,22+/m1/s1