EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C=C/[C@@H]1[C@H]([C@@H](C[C@](O1)(C(C)C(C(C)C2C(/C=C/C=C(/CC(C(C(C(C(/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)C)O)C)\C)OC)O)O)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)C
InChI: InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25?,26?,27-,28?,29?,30?,31-,32-,33-,34?,36-,37+,38?,39?,40?,41?,42-,45+/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)N=C(/C=C(\[N-][C@H]2[C@@H](CCCC2)[N-]/C(=C\C(=NC3=C(C=CC=C3CC)CC)C)/C)/C)C.C[Si]([N-][Si](C)(C)C)(C)C.[La+3]
InChI: InChI=1S/C36H50N4.C6H18NSi2.La/c1-9-29-17-15-18-30(10-2)35(29)39-27(7)23-25(5)37-33-21-13-14-22-34(33)38-26(6)24-28(8)40-36-31(11-3)19-16-20-32(36)12-4;1-8(2,3)7-9(4,5)6;/h15-20,23-24,33-34H,9-14,21-22H2,1-8H3;1-6H3;/q-2;-1;+3/b25-23-,26-24-,39-27?,40-28?;;/t33-,34-;;/m1../s1
SMILES: COCCOC(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C18H24N2O7/c1-10-14(17(21)27-7-6-23-2)15(20-18(22)19-10)11-8-12(24-3)16(26-5)13(9-11)25-4/h8-9,14-15H,1,6-7H2,2-5H3,(H2,19,20,22)/t14-,15-/m0/s1
SMILES: CC1=C2C[C@H]3C(=C)C=C[C@@H]([C@@]3(C[C@@H]2OC1=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H28O8/c1-9-4-5-15(29-20-18(25)17(24)16(23)14(8-22)28-20)21(3)7-13-11(6-12(9)21)10(2)19(26)27-13/h4-5,12-18,20,22-25H,1,6-8H2,2-3H3/t12-,13-,14+,15-,16+,17-,18+,20-,21+/m0/s1
SMILES: CC1=CC[C@]2(C(=O)[C@@H]3C(=CC[C@@H]([C@]3(CC(=O)[C@@H]1C2(C)C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C32H56O5Si2/c1-21-17-18-32(35)27(34)26-22(20-36-38(11,12)28(2,3)4)15-16-24(37-39(13,14)29(5,6)7)31(26,10)19-23(33)25(21)30(32,8)9/h15,17,24-26,35H,16,18-20H2,1-14H3/t24-,25+,26-,31+,32+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC45[C@]3(C[C@H]([C@@]6([C@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)O
InChI: InChI=1S/C30H48O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h8,12,19-23,31-33H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22+,23-,25+,26+,27-,28+,29-,30?/m1/s1
SMILES: CC/C=C\C/C=C\C=C\C=C\C=C/[C@H]1[C@H]2[C@@H](/C=C\[C@H](CCC(=O)O1)Cl)OC(O2)(C)C
InChI: InChI=1S/C25H33ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-24-22(29-25(2,3)30-24)18-16-20(26)17-19-23(27)28-21/h5-6,8-16,18,20-22,24H,4,7,17,19H2,1-3H3/b6-5-,9-8-,11-10+,13-12+,15-14-,18-16-/t20-,21+,22-,24+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)[S+](C)CC3=CC=CC=C3.[I-]
InChI: InChI=1S/C18H27OS.HI/c1-17(2)14-10-11-18(17,3)16(19)15(14)20(4)12-13-8-6-5-7-9-13;/h5-9,14-16,19H,10-12H2,1-4H3;1H/q+1;/p-1/t14-,15-,16-,18+,20?;/m1./s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@@H]2C1)CC(=O)NC3=CC=C(C=C3)SC(F)F
InChI: InChI=1S/C18H24F2N2OS/c19-18(20)24-16-7-5-15(6-8-16)21-17(23)12-22-10-9-13-3-1-2-4-14(13)11-22/h5-8,13-14,18H,1-4,9-12H2,(H,21,23)/p+1/t13-,14+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@H](C(=O)O1)NC(=O)OC(C)(C)C)C
InChI: InChI=1S/C13H21NO6/c1-6-18-11(16)9-7(2)8(10(15)19-9)14-12(17)20-13(3,4)5/h7-9H,6H2,1-5H3,(H,14,17)/t7-,8-,9-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI: InChI=1S/C17H20BrN3O2/c1-11-4-2-3-5-14(11)20-16(22)9-21-10-19-15-7-6-12(18)8-13(15)17(21)23/h6-8,10-11,14H,2-5,9H2,1H3,(H,20,22)/t11-,14+/m1/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=CNC6=CC=CC=C65)CNCCCCCO
InChI: InChI=1S/C42H50N2O6/c45-25-14-4-13-24-43-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-45H,4,13-14,23-26,28-31H2/t38-,39-,40+,41-,42-/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(OC[C@H]([C@@]1(O2)C(=O)O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O
InChI: InChI=1S/C33H46O10/c1-7-20(2)17-21(3)13-14-27(36)42-30-29(37)32(40-19-26(35)33(30,43-32)31(38)39)16-15-22(4)28(41-24(6)34)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,26,28-30,35,37H,4,7,15-19H2,1-3,5-6H3,(H,38,39)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,32-,33-/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F
InChI: InChI=1S/C17H15F2NO5/c18-17(19)24-13-4-3-11(7-14(13)25-17)20-15(21)8-23-16(22)12-6-9-1-2-10(12)5-9/h1-4,7,9-10,12H,5-6,8H2,(H,20,21)/t9-,10+,12-/m1/s1
SMILES: C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCC(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C27H36O6/c1-20(11-9-10-16-26(28)29)32-27-25(31-19-23-14-7-4-8-15-23)17-24(21(2)33-27)30-18-22-12-5-3-6-13-22/h3-8,12-15,20-21,24-25,27H,9-11,16-19H2,1-2H3,(H,28,29)/t20-,21+,24-,25-,27-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@@H]1C[C@@H]3CN(C4=CC=CC2=C34)C)O
InChI: InChI=1S/C16H22N2O/c1-17-8-10-6-15-13(7-11(19)9-18(15)2)12-4-3-5-14(17)16(10)12/h3-5,10-11,13,15,19H,6-9H2,1-2H3/t10-,11-,13-,15+/m1/s1
SMILES: C1[C@@H]([C@H](CS1(=O)=O)Cl)NC(=O)C[NH2+][C@H](C2=CC=CC=C2)C3=CC=CO3
InChI: InChI=1S/C17H19ClN2O4S/c18-13-10-25(22,23)11-14(13)20-16(21)9-19-17(15-7-4-8-24-15)12-5-2-1-3-6-12/h1-8,13-14,17,19H,9-11H2,(H,20,21)/p+1/t13-,14-,17+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C26H25BrCl2N2O8/c1-2-39-16-5-3-4-14(20(16)34)19-12-6-7-13-18(22(36)30(21(13)35)9-8-17(32)33)15(12)10-25(28)23(37)31(11-27)24(38)26(19,25)29/h3-6,13,15,18-19,34H,2,7-11H2,1H3,(H,32,33)/t13-,15+,18-,19+,25+,26-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H19ClN2O5/c20-12-5-7-13(8-6-12)21-16(23)11-27-17(24)9-10-22-18(25)14-3-1-2-4-15(14)19(22)26/h1-2,5-8,14-15H,3-4,9-11H2,(H,21,23)/t14-,15-/m1/s1
SMILES: C[N@@+]1(CC[C@]23[C@@H]4C(C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)CBr)(OC)OC)[O-]
InChI: InChI=1S/C20H26BrNO5/c1-22(23)8-7-19-15-12-5-6-13(24-2)16(15)27-17(19)20(25-3,26-4)10-18(19,11-21)14(22)9-12/h5-6,14,17H,7-11H2,1-4H3/t14-,17-,18-,19+,22+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O6/c1-12(22-18(24)15-8-3-4-9-16(15)19(22)25)20(26)28-11-17(23)21-13-6-5-7-14(10-13)27-2/h3-7,10,12,15-16H,8-9,11H2,1-2H3,(H,21,23)/t12-,15-,16+/m0/s1
SMILES: C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C49H43NO3P2/c51-49(40-31-41(52-36-38-19-7-1-8-20-38)33-42(32-40)53-37-39-21-9-2-10-22-39)50-34-47(54(43-23-11-3-12-24-43)44-25-13-4-14-26-44)48(35-50)55(45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-33,47-48H,34-37H2/t47-,48-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)NC(=O)C)OS(=O)(=O)O)C(=O)O
InChI: InChI=1S/C29H55NO21S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-46-29(28(32)33)20-23(49-53(37,38)39)25(30-22(2)31)27(48-29)26(51-55(43,44)45)24(50-54(40,41)42)21-47-52(34,35)36/h23-27H,3-21H2,1-2H3,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)/t23-,24+,25+,26+,27+,29+/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)SC4=CC=CC=C4)O
InChI: InChI=1S/C20H22O5S/c1-22-20-16(21)18(26-14-10-6-3-7-11-14)17-15(24-20)12-23-19(25-17)13-8-4-2-5-9-13/h2-11,15-21H,12H2,1H3/t15-,16+,17-,18+,19-,20-/m1/s1
SMILES: C[C@]1(CC[C@@]2(O1)C(=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=O)CC(=O)O
InChI: InChI=1S/C20H30O4/c1-17(2)8-5-9-19(4)15(17)7-6-14(13-21)20(19)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,18-,19-,20+/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2NC(=N5)N6CCCCC6)O)/C
InChI: InChI=1S/C43H56N4O11/c1-20-14-13-15-21(2)41(54)44-33-32-31(45-42(46-32)47-17-11-10-12-18-47)28-29(37(33)52)36(51)25(6)39-30(28)40(53)43(8,58-39)56-19-16-27(55-9)22(3)38(57-26(7)48)24(5)35(50)23(4)34(20)49/h13-16,19-20,22-24,27,34-35,38,49-52H,10-12,17-18H2,1-9H3,(H,44,54)(H,45,46)/b14-13+,19-16+,21-15-/t20-,22+,23+,24+,27-,34-,35+,38+,43-/m0/s1
SMILES: CCCOC1=NC(=NC2=C1SC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C13H18N4O6S/c1-2-3-22-10-8-9(15-12(14)16-10)17(13(21)24-8)11-7(20)6(19)5(4-18)23-11/h5-7,11,18-20H,2-4H2,1H3,(H2,14,15,16)/t5-,6-,7-,11-/m1/s1
SMILES: CC(C)SC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)O)O
InChI: InChI=1S/C17H25N5O4S/c1-9(2)27-6-11-13(23)14(24)17(26-11)22-8-20-12-15(18-7-19-16(12)22)21-10-3-4-25-5-10/h7-11,13-14,17,23-24H,3-6H2,1-2H3,(H,18,19,21)/t10-,11-,13-,14-,17?/m1/s1
SMILES: COC1=CC(=C(C=C1)/C=N\N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5)OC
InChI: InChI=1S/C20H20N2O4/c1-25-12-4-3-11(15(9-12)26-2)10-21-22-18(23)16-13-5-6-14(17(16)19(22)24)20(13)7-8-20/h3-6,9-10,13-14,16-17H,7-8H2,1-2H3/b21-10-/t13-,14+,16-,17+
SMILES: CC(=O)N[C@H](CC1=CC(=C(C=C1)C[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C(=O)O
InChI: InChI=1S/C53H55NO9/c1-38(55)54-46(53(56)57)29-44-27-28-45(47(30-44)59-33-40-19-9-3-10-20-40)31-48-50(60-34-41-21-11-4-12-22-41)52(62-36-43-25-15-6-16-26-43)51(61-35-42-23-13-5-14-24-42)49(63-48)37-58-32-39-17-7-2-8-18-39/h2-28,30,46,48-52H,29,31-37H2,1H3,(H,54,55)(H,56,57)/t46-,48+,49-,50+,51-,52-/m1/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)OC6CCCCC6)\C)C
InChI: InChI=1S/C38H56O8/c1-6-32-23(2)17-18-37(46-32)21-30-20-29(45-37)16-15-25(4)34(43-28-13-8-7-9-14-28)24(3)11-10-12-27-22-42-35-33(39)26(5)19-31(36(40)44-30)38(27,35)41/h10-12,15,19,23-24,28-35,39,41H,6-9,13-14,16-18,20-22H2,1-5H3/b11-10+,25-15+,27-12+/t23-,24-,29+,30-,31-,32+,33+,34+,35+,37+,38+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H23NO4/c25-21(14-15-24-22(26)19-8-4-5-9-20(19)23(24)27)28-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2/t19-,20-/m1/s1
SMILES: C1C=C(C[C@H]2[C@@H]1C(=O)N(C2=O)[C@H](CC3=CC4=CC=CC=C4N3)C(=O)O)Cl
InChI: InChI=1S/C19H17ClN2O4/c20-11-5-6-13-14(8-11)18(24)22(17(13)23)16(19(25)26)9-12-7-10-3-1-2-4-15(10)21-12/h1-5,7,13-14,16,21H,6,8-9H2,(H,25,26)/t13-,14+,16-/m1/s1
SMILES: C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C34H62O3Si2/c1-23(22-35)27-16-17-28-26-15-14-24-20-25(36-38(10,11)31(2,3)4)21-30(37-39(12,13)32(5,6)7)34(24,9)29(26)18-19-33(27,28)8/h14,22-23,25-30H,15-21H2,1-13H3/t23-,25-,26+,27-,28+,29+,30+,33-,34+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(S2)Cl
InChI: InChI=1S/C19H26ClNO4S/c1-11-5-4-6-14(12(11)2)21-19(24)13(3)25-18(23)10-7-15(22)16-8-9-17(20)26-16/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,24)/t11-,12+,13+,14+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2COC(O2)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H30O12/c1-10(21)25-9-15-16(28-11(2)22)17(29-12(3)23)18(30-13(4)24)19(31-15)26-7-14-8-27-20(5,6)32-14/h14-19H,7-9H2,1-6H3/t14?,15-,16-,17+,18-,19-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)N([C@H](CCSC)C(=O)O)C(=O)OC(C)(C)C)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C
InChI: InChI=1S/C34H51N3O7S2/c1-31(2,3)44-30(41)37(26(28(38)39)13-20-45-6)29(40)35-27-21-24-12-15-34(27,32(24,4)5)22-46(42,43)36-18-16-33(17-19-36)14-11-23-9-7-8-10-25(23)33/h7-10,24,26-27H,11-22H2,1-6H3,(H,35,40)(H,38,39)/t24-,26-,27+,34-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H25N3O2/c22-21(23)17-5-2-14(3-6-17)13-19-7-9-20(10-8-19)18-12-15-1-4-16(18)11-15/h2-3,5-6,15-16,18H,1,4,7-13H2/p+2/t15-,16+,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)SC3=CC=CC=C3)OC(O2)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H34O4SSi/c1-14-16(25-27(7,8)20(2,3)4)17-18(24-21(5,6)23-17)19(22-14)26-15-12-10-9-11-13-15/h9-14,16-19H,1-8H3/t14-,16-,17+,18+,19-/m0/s1
SMILES: C[C@H](COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(13-28-15(2)25)19-7-8-20-18-6-5-16-11-17(26)12-22(27)24(16,4)21(18)9-10-23(19,20)3/h5,14,17-22,26-27H,6-13H2,1-4H3/t14-,17-,18+,19-,20+,21+,22+,23-,24+/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C16H19NO4/c1-21-12-4-2-3-11(8-12)17-15(18)13-9-5-6-10(7-9)14(13)16(19)20/h2-4,8-10,13-14H,5-7H2,1H3,(H,17,18)(H,19,20)/t9-,10+,13-,14+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@@H]2CCC[C@H]3[C@@H]2O3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H31NO3Si/c1-10(21-22(5,6)17(2,3)4)13-14(18-16(13)19)11-8-7-9-12-15(11)20-12/h10-15H,7-9H2,1-6H3,(H,18,19)/t10-,11+,12+,13-,14-,15-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(NC(=O)OC(C)(C)C)Br)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C23H34BrNO4/c1-15-12-13-17(23(5,6)16-10-8-7-9-11-16)18(14-15)28-20(26)19(24)25-21(27)29-22(2,3)4/h7-11,15,17-19H,12-14H2,1-6H3,(H,25,27)/t15-,17-,18-,19?/m1/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-])C(=O)N
InChI: InChI=1S/C9H12N6O5/c10-7(19)4-8(13-14-11)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H2,10,19)/t3-,5-,6-,9-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]3[C@H](C(=O)NC3=O)[C@@]4(N2)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C20H16ClN3O3/c21-12-8-4-7-11-16(12)22-19(27)20(11)15-14(17(25)23-18(15)26)13(24-20)9-10-5-2-1-3-6-10/h1-8,13-15,24H,9H2,(H,22,27)(H,23,25,26)/t13-,14-,15-,20+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=N4)C5=CC=CC=C5
InChI: InChI=1S/C25H20N2O2/c28-24-22-19(17-9-3-1-4-10-17)14-15-20(18-11-5-2-6-12-18)23(22)25(29)27(24)21-13-7-8-16-26-21/h1-16,19-20,22-23H/t19-,20+,22+,23-
SMILES: C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CCl)S(=O)(=O)O.[O-]S(=O)(=O)[O-]
InChI: InChI=1S/C15H22N6O5S.C2H5ClO3S.H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;3-1-2-7(4,5)6;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-2H2,(H,4,5,6);(H2,1,2,3,4)/p-1/t7-,8+,10+,11+,14+,27?;;/m0../s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C
InChI: InChI=1S/C20H28N2O4S/c1-13-5-4-6-18(14(13)2)22-12-15(11-19(22)23)20(24)21-16-7-9-17(10-8-16)27(3,25)26/h7-10,13-15,18H,4-6,11-12H2,1-3H3,(H,21,24)/t13-,14-,15-,18+/m1/s1
SMILES: CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5)C
InChI: InChI=1S/C23H19N3O3S/c1-11-12(2)30-21(17(11)10-24)25-20(27)13-5-7-16(8-6-13)26-22(28)18-14-3-4-15(9-14)19(18)23(26)29/h3-8,14-15,18-19H,9H2,1-2H3,(H,25,27)/t14-,15+,18-,19-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=S)NCC2=CC=CC=C2
InChI: InChI=1S/C17H26N4S2/c1-12-7-6-10-15(13(12)2)19-17(23)21-20-16(22)18-11-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H2,18,20,22)(H2,19,21,23)/t12-,13+,15+/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)OC(=O)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C34H45ClN2O11/c1-17(2)31(40)47-26-15-27(39)37(7)22-13-21(14-23(43-8)28(22)35)29(45-20(5)38)18(3)11-10-12-25(44-9)34(42)16-24(46-32(41)36-34)19(4)30-33(26,6)48-30/h10-14,17,19,24-26,29-30,42H,15-16H2,1-9H3,(H,36,41)/b12-10+,18-11+/t19-,24+,25-,26-,29?,30+,33+,34+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CNCCN4CCOCC4
InChI: InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)26-19)14-22-6-7-23-8-10-25-11-9-23/h16-19,22H,1,3-14H2,2H3/t16-,17-,18+,19-,21-/m1/s1
SMILES: CSC1=CC=CC(=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H22N2O3S/c1-24-13-6-4-5-12(11-13)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,19,21)/t14-,15+
SMILES: C[C@@]12CCC[C@@]3(O1)[C@@H](O2)OC[C@@]45[C@]3(C=CC(=O)[C@@H]4O5)O
InChI: InChI=1S/C14H16O6/c1-11-4-2-5-12(20-11)10(19-11)17-7-13-9(18-13)8(15)3-6-14(12,13)16/h3,6,9-10,16H,2,4-5,7H2,1H3/t9-,10+,11-,12+,13-,14+/m0/s1
SMILES: C[C@@H]1C[C@]([C@H](CN1C)C)(CCN(CC2=CC(=C(C=C2)OC)OC)C(=O)C)CC3=CC=CC=C3
InChI: InChI=1S/C28H40N2O3/c1-21-19-29(4)22(2)17-28(21,18-24-10-8-7-9-11-24)14-15-30(23(3)31)20-25-12-13-26(32-5)27(16-25)33-6/h7-13,16,21-22H,14-15,17-20H2,1-6H3/t21-,22+,28+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@](C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)[O-])C(C)C
InChI: InChI=1S/C29H52O3S/c1-24(2)27-18-17-25(3)22-29(27,23-28(31)32)19-13-9-7-5-6-8-10-14-20-33-21-15-11-12-16-26(4)30/h14,20,24-25,27H,5-13,15-19,21-23H2,1-4H3,(H,31,32)/p-1/b20-14-/t25-,27-,29+/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=CO3)(CC4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C22H24N2O5/c1-3-24-19(25)16-17(20(24)26)22(21(27)28-4-2,13-14-9-6-5-7-10-14)23-18(16)15-11-8-12-29-15/h5-12,16-18,23H,3-4,13H2,1-2H3/p+1/t16-,17+,18+,22+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-16-15(10-26)17(13-3-6-25-7-4-13)14(9-21)18(24)20(16,11-22)12-23/h3-7,15,17H,2,8,10,24H2,1H3/t15-,17+/m1/s1
SMILES: CC1=C[C@@H]([C@H]([C@@H]([C@H]1Br)OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C11H14Br2O4/c1-5-4-8(12)10(16-6(2)14)11(9(5)13)17-7(3)15/h4,8-11H,1-3H3/t8-,9-,10+,11+/m0/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N
InChI: InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)CN(C)[C@@H](C)[C@@H](C6=CC=CC=C6)O
InChI: InChI=1S/C38H38N2O8/c1-22-32(20-40(3)23(2)33(42)25-8-5-4-6-9-25)46-38(47-34(22)26-14-12-24(21-41)13-15-26)28-10-7-11-29(18-28)39-35(43)27-16-17-30-31(19-27)37(45)48-36(30)44/h4-19,22-23,32-34,38,41-42H,20-21H2,1-3H3,(H,39,43)/t22-,23-,32+,33-,34+,38?/m0/s1
SMILES: C=CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C39H44O6/c1-2-3-16-25-41-39-38(44-29-34-23-14-7-15-24-34)37(43-28-33-21-12-6-13-22-33)36(42-27-32-19-10-5-11-20-32)35(45-39)30-40-26-31-17-8-4-9-18-31/h2,4-15,17-24,35-39H,1,3,16,25-30H2/t35-,36+,37+,38-,39-/m1/s1
SMILES: C1CO[C@H]2[C@@H]1[C@@H](NC3=C2C=CC4=CC=CC=C43)C5=CC=CO5
InChI: InChI=1S/C19H17NO2/c1-2-5-13-12(4-1)7-8-14-17(13)20-18(16-6-3-10-21-16)15-9-11-22-19(14)15/h1-8,10,15,18-20H,9,11H2/t15-,18+,19+/m0/s1
SMILES: C[C@H]1[C@H](N(CCC1=O)CCC2=C(NC3=C2C=C(C=C3)OC)C)C
InChI: InChI=1S/C19H26N2O2/c1-12-14(3)21(10-8-19(12)22)9-7-16-13(2)20-18-6-5-15(23-4)11-17(16)18/h5-6,11-12,14,20H,7-10H2,1-4H3/t12-,14+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=NC(=NO3)C4=CC=CC=C4
InChI: InChI=1S/C20H22N4O5/c1-13-7-5-6-10-20(13)18(26)24(19(27)22-20)11-16(25)28-12-15-21-17(23-29-15)14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,22,27)/t13-,20-/m0/s1
SMILES: CCCCCCC[C@@H]1CC(=C(C[C@H]1C(=O)NC2=C(C=C(C=C2OC)OC)OC)C)C
InChI: InChI=1S/C25H39NO4/c1-7-8-9-10-11-12-19-13-17(2)18(3)14-21(19)25(27)26-24-22(29-5)15-20(28-4)16-23(24)30-6/h15-16,19,21H,7-14H2,1-6H3,(H,26,27)/t19-,21-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OCC(C(C(C(CC(=O)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C17H26N3O15P/c18-10-1-2-20(17(30)19-10)15-14(27)13(26)9(35-15)5-34-36(31,32)33-4-8(23)12(25)11(24)6(21)3-7(22)16(28)29/h1-2,6,8-9,11-15,21,23-27H,3-5H2,(H,28,29)(H,31,32)(H2,18,19,30)/t6?,8?,9-,11?,12?,13-,14-,15-/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H20ClN3O4/c1-15(30)27-17-13-11-16(12-14-17)22-21-23(33-29(22)18-7-3-2-4-8-18)25(32)28(24(21)31)20-10-6-5-9-19(20)26/h2-14,21-23H,1H3,(H,27,30)/t21-,22-,23+/m1/s1
SMILES: CO[C@@]12CCC[C@@H](N1)[C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO/c1-22-20-14-8-13-17(21-20)18(15-9-4-2-5-10-15)19(20)16-11-6-3-7-12-16/h2-7,9-12,17-19,21H,8,13-14H2,1H3/t17-,18+,19-,20-/m1/s1
SMILES: C[C@H]1CCC2=C(C1)C=C(S2)C3=NN=C(O3)S[C@H](C)C(=O)N[C@@H]4CCCC[C@@H]4C
InChI: InChI=1S/C21H29N3O2S2/c1-12-8-9-17-15(10-12)11-18(28-17)20-23-24-21(26-20)27-14(3)19(25)22-16-7-5-4-6-13(16)2/h11-14,16H,4-10H2,1-3H3,(H,22,25)/t12-,13-,14+,16+/m0/s1
SMILES: COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H13BrN2O5/c1-26-19(25)12-4-2-3-5-13(12)22-17(23)14-15(21-27-16(14)18(22)24)10-6-8-11(20)9-7-10/h2-9,14,16H,1H3/t14-,16+/m1/s1
SMILES: C1CC[C@@H]2[C@]3(CC1)O[C@H](C([C@]2(C(=N)O3)C#N)(C#N)C#N)C4=CN=CC=C4
InChI: InChI=1S/C19H17N5O2/c20-10-17(11-21)15(13-5-4-8-24-9-13)25-19-7-3-1-2-6-14(19)18(17,12-22)16(23)26-19/h4-5,8-9,14-15,23H,1-3,6-7H2/t14-,15-,18+,19+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](C(=O)O1)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C13H13NO4/c1-7-10-11(13(16)18-7)14(12(10)15)8-3-5-9(17-2)6-4-8/h3-7,10-11H,1-2H3/t7-,10+,11+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3
InChI: InChI=1S/C18H20ClNO3S/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2/t17-,18+/m0/s1
SMILES: C/C=C/C=C\C(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC)C)OC[C@]23CC4[C@@H](C(C[C@H]4[C@]5([C@]2(C(=C[C@@H]3C5)C(C)C)C(=O)O)C=O)O)C)O
InChI: InChI=1S/C33H46O10/c1-7-8-9-10-25(36)43-28-26(37)29(42-19(5)27(28)40-6)41-16-32-14-21-18(4)24(35)12-23(21)31(15-34)13-20(32)11-22(17(2)3)33(31,32)30(38)39/h7-11,15,17-21,23-24,26-29,35,37H,12-14,16H2,1-6H3,(H,38,39)/b8-7+,10-9-/t18-,19+,20+,21?,23+,24?,26-,27+,28-,29+,31+,32-,33-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)C
InChI: InChI=1S/C21H21N5O4/c1-3-30-16-10-8-15(9-11-16)26-20(28)18-19(21(26)29)25(24-23-18)12-17(27)22-14-6-4-13(2)5-7-14/h4-11,18-19H,3,12H2,1-2H3,(H,22,27)/t18-,19-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC4=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H42O2Si/c1-23(2,3)28(6,7)27-18-12-14-24(4)17(16-18)8-9-19-20-10-11-22(26)25(20,5)15-13-21(19)24/h10-11,17-21H,8-9,12-16H2,1-7H3/t17-,18-,19-,20-,21-,24-,25-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C47H52F5N3O5/c1-26-36(24-55-34-14-6-5-10-29(34)19-20-35(55)44(57)54-47(2,3)4)59-46(60-43(26)30-17-15-27(25-56)16-18-30)33-13-8-12-32(22-33)31-11-7-9-28(21-31)23-53-45(58)37-38(48)40(50)42(52)41(51)39(37)49/h7-9,11-13,15-18,21-22,26,29,34-36,43,46,56H,5-6,10,14,19-20,23-25H2,1-4H3,(H,53,58)(H,54,57)/t26-,29-,34-,35-,36+,43+,46+/m1/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[C@H]2[C@](C2(C#N)C#N)(C#N)C(=N)C(C#N)C#N
InChI: InChI=1S/C16H7N7O2/c17-5-11(6-18)14(22)16(9-21)13(15(16,7-19)8-20)10-2-1-3-12(4-10)23(24)25/h1-4,11,13,22H/t13-,16-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H27NO3/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-20-13-11-19(12-14-20)23(26)18-8-4-3-5-9-18/h3-5,8-9,11-14,16-17,21H,6-7,10,15H2,1-2H3,(H,24,25)/t16-,17+,21+/m0/s1
SMILES: CN1C[C@H]([C@H]([C@]12C3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O2/c1-27-16-19(17-10-4-2-5-11-17)22(23(28)18-12-6-3-7-13-18)25(27)20-14-8-9-15-21(20)26-24(25)29/h2-15,19,22H,16H2,1H3,(H,26,29)/t19-,22-,25-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)N(C)C2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C21H25NO10/c1-11(23)28-16-17(29-12(2)24)19(30-13(3)25)21(31-14(4)26)32-18(16)20(27)22(5)15-9-7-6-8-10-15/h6-10,16-19,21H,1-5H3/t16-,17-,18-,19+,21+/m0/s1
SMILES: C(CCl)N(C(=O)N[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O)O)O)N=O
InChI: InChI=1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-8-7(17)6(16)5(15)4(3-14)20-8/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6+,7?,8-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI: InChI=1S/C24H26N2O3S/c1-15-7-5-10-19(16(15)2)26-23(27)14-29-24(28)18-13-21(22-11-6-12-30-22)25-20-9-4-3-8-17(18)20/h3-4,6,8-9,11-13,15-16,19H,5,7,10,14H2,1-2H3,(H,26,27)/t15-,16-,19-/m1/s1
SMILES: COC1=C(C2=C3C(=C1)OC(=O)C4=C3C(=CC(=C4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OC2=O)OC
InChI: InChI=1S/C23H22O13/c1-30-9-4-7-12-13-8(33-21(28)14(12)19(9)32-3)5-10(31-2)20(15(13)22(29)34-7)36-23-18(27)17(26)16(25)11(6-24)35-23/h4-5,11,16-18,23-27H,6H2,1-3H3/t11-,16-,17+,18-,23+/m1/s1
SMILES: CCN(CC1=CC=CC=C1C(F)(F)F)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C
InChI: InChI=1S/C29H36F3NO/c1-4-33(18-20-7-5-6-8-25(20)29(30,31)32)27-14-13-26-24-11-9-19-17-21(34-3)10-12-22(19)23(24)15-16-28(26,27)2/h5-8,10,12,17,23-24,26-27H,4,9,11,13-16,18H2,1-3H3/t23-,24-,26+,27+,28+/m1/s1