EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=NC2=C(N1CC3=CC=CC=C3)N4[C@H]5CCC[C@H]5N=C4N(C2=O)C(C)C
InChI: InChI=1S/C21H25N5O/c1-13(2)25-20(27)18-19(26-17-11-7-10-16(17)23-21(25)26)24(14(3)22-18)12-15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3/t16-,17+/m1/s1
SMILES: CCOC(=O)C1=CC(=C[C@@]2([C@H]1CCN(C2)C(=O)OCC3=CC=CC=C3)C)C
InChI: InChI=1S/C22H27NO4/c1-4-26-20(24)18-12-16(2)13-22(3)15-23(11-10-19(18)22)21(25)27-14-17-8-6-5-7-9-17/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC4CCCC4)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)/C=C/C9=CC(=NO9)C(=O)N
InChI: InChI=1S/C50H45N7O8S2/c1-62-36-24-21-31(22-25-36)28-63-48(61)43-32(23-26-38-27-39(44(51)58)55-65-38)29-66-47-42(46(60)57(43)47)53-45(59)41(56-64-37-19-11-12-20-37)40-30-67-49(52-40)54-50(33-13-5-2-6-14-33,34-15-7-3-8-16-34)35-17-9-4-10-18-35/h2-10,13-18,21-27,30,37,42,47H,11-12,19-20,28-29H2,1H3,(H2,51,58)(H,52,54)(H,53,59)/b26-23+,56-41-/t42-,47-/m1/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)NC(=O)NCC4=CC=CC=C4)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C41H54N4O5/c1-27-36(25-45-34-13-9-8-12-30(34)20-23-35(45)38(47)44-41(2,3)4)49-39(50-37(27)31-16-14-29(26-46)15-17-31)32-18-21-33(22-19-32)43-40(48)42-24-28-10-6-5-7-11-28/h5-7,10-11,14-19,21-22,27,30,34-37,39,46H,8-9,12-13,20,23-26H2,1-4H3,(H,44,47)(H2,42,43,48)/t27-,30-,34-,35-,36+,37+,39+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CCC3C2=CC(=O)C4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O
InChI: InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13?,15?,17-,18+,19-,20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CSC(=N3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H23N3O3S/c1-13-5-3-4-10-20(13)18(24)23(19(25)22-20)11-15-12-27-17(21-15)14-6-8-16(26-2)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)/t13-,20-/m1/s1
SMILES: CC(=CC[C@]12C(=O)[C@]3(C[C@H]([C@]14C(=C3)C(=O)OC(O4)(C)C)C(O2)(C)C)OCOCC[Si](C)(C)C)C
InChI: InChI=1S/C26H40O7Si/c1-17(2)10-11-25-21(28)24(30-16-29-12-13-34(7,8)9)14-18-20(27)31-23(5,6)33-26(18,25)19(15-24)22(3,4)32-25/h10,14,19H,11-13,15-16H2,1-9H3/t19-,24-,25-,26+/m0/s1
SMILES: CC(=O)OC[C@@H]1C=C[C@H]([C@H](O1)C#C[Si](C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChI: InChI=1S/C29H38O4Si2.6CO.2Co/c1-23(30)31-22-24-18-19-28(27(32-24)20-21-34(5,6)7)33-35(29(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26;6*1-2;;/h8-19,24,27-28H,22H2,1-7H3;;;;;;;;/t24-,27+,28+;;;;;;;;/m0......../s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\NCCCCCC(=O)O)/C4=C(C3=O)O)COC)C)C
InChI: InChI=1S/C29H37NO10/c1-15(31)39-18-12-28(2)17(9-10-19(28)32)22-24(18)29(3)20(14-38-4)40-27(37)16(23(29)26(36)25(22)35)13-30-11-7-5-6-8-21(33)34/h13,17-18,20,30,36H,5-12,14H2,1-4H3,(H,33,34)/b16-13-/t17-,18+,20+,28-,29-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)O[P@@](=O)(C2=CC=C(C=C2)N(C)C)N)C(C)C
InChI: InChI=1S/C18H31N2O2P/c1-13(2)17-11-6-14(3)12-18(17)22-23(19,21)16-9-7-15(8-10-16)20(4)5/h7-10,13-14,17-18H,6,11-12H2,1-5H3,(H2,19,21)/t14-,17-,18-,23+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)CO)CO)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)21(39-5)43-19-7(3-27)41-22(17(37)13(19)33)44-20-8(4-28)42-24(18(38)14(20)34)45-23-16(36)12(32)10(30)6(2-26)40-23/h5-38H,1-4H2/t5-,6+,7-,8-,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)OC
InChI: InChI=1S/C25H22F3N3O5S/c1-3-36-15-10-8-14(9-11-15)20-16(12-29)23(31-22(33)21(20)24(34)35-2)37-13-19(32)30-18-7-5-4-6-17(18)25(26,27)28/h4-11,20-21H,3,13H2,1-2H3,(H,30,32)(H,31,33)/t20-,21-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)C/C=N/OC[C@@H]2[C@H](C=C[C@H](O2)C3=CC=CC=C3)OC4=CC=C(C=C4)OC)OC(=O)C
InChI: InChI=1S/C31H35NO9/c1-21(33)36-19-30-28(38-22(2)34)14-13-26(40-30)17-18-32-37-20-31-29(39-25-11-9-24(35-3)10-12-25)16-15-27(41-31)23-7-5-4-6-8-23/h4-16,18,26-31H,17,19-20H2,1-3H3/b32-18+/t26-,27-,28-,29-,30+,31+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2C[C@H](CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3C
InChI: InChI=1S/C24H34N2O4/c1-16-8-6-10-21(18(16)3)26-14-20(13-23(26)28)24(29)30-15-22(27)25-12-11-19-9-5-4-7-17(19)2/h4-5,7,9,16,18,20-21H,6,8,10-15H2,1-3H3,(H,25,27)/t16-,18-,20-,21+/m0/s1
SMILES: C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC(=C(C=C3)S(=O)(=O)N)Cl)C(=O)NC4=NC=CS4
InChI: InChI=1S/C19H22ClN3O3S2/c20-15-10-13(6-7-16(15)28(21,25)26)19(17(24)23-18-22-8-9-27-18)11-14(19)12-4-2-1-3-5-12/h6-10,12,14H,1-5,11H2,(H2,21,25,26)(H,22,23,24)/t14-,19-/m0/s1
SMILES: CCOC1=C([C@@H]2C=C[C@]3([C@H]1CCC3)O2)SC4=CC=CC=C4
InChI: InChI=1S/C18H20O2S/c1-2-19-16-14-9-6-11-18(14)12-10-15(20-18)17(16)21-13-7-4-3-5-8-13/h3-5,7-8,10,12,14-15H,2,6,9,11H2,1H3/t14-,15-,18+/m0/s1
SMILES: CC(C)C1=C(C(=C2C(=C1)[C@H]([C@H]3C4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O
InChI: InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17?,20+/m1/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=C7OCCO)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C
InChI: InChI=1S/C43H39N3O7/c1-25-12-16-29(17-13-25)44-46-40(50)35-24-34-31(20-21-33-37(34)41(51)45(39(33)49)30-18-14-27(15-19-30)26(2)48)38(32-10-6-7-11-36(32)53-23-22-47)43(35,42(46)52)28-8-4-3-5-9-28/h3-20,33-35,37-38,44,47H,21-24H2,1-2H3/t33-,34+,35-,37-,38+,43+/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)NS(=O)(=O)C4=CC=CC=C4)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C38H40N2O5S/c1-26-36(24-40(3)27(2)32-18-17-29-9-7-8-10-33(29)23-32)44-38(45-37(26)30-15-13-28(25-41)14-16-30)31-19-21-34(22-20-31)39-46(42,43)35-11-5-4-6-12-35/h4-23,26-27,36-39,41H,24-25H2,1-3H3/t26-,27+,36+,37+,38+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H18O4/c27-25(18-9-3-1-4-10-18)29-23-20-15-7-13-17-14-8-16-21(22(17)20)24(23)30-26(28)19-11-5-2-6-12-19/h1-16,23-24H/t23-,24+
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)NC(=O)C3=CC=CC=C3F
InChI: InChI=1S/C18H23FN2O3/c19-15-8-2-1-7-14(15)17(22)20-18(23)24-12-13-6-5-11-21-10-4-3-9-16(13)21/h1-2,7-8,13,16H,3-6,9-12H2,(H,20,22,23)/p+1/t13-,16+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CCCC[C@H](C(=O)OCC(=O)C4=CC=C(C=C4)Br)N5C(=O)[C@@H]6[C@@H]7CC[C@@H](C7)[C@@H]6C5=O
InChI: InChI=1S/C32H35BrN2O7/c33-21-10-8-16(9-11-21)23(36)15-42-32(41)22(35-30(39)26-19-6-7-20(14-19)27(26)31(35)40)3-1-2-12-34-28(37)24-17-4-5-18(13-17)25(24)29(34)38/h8-11,17-20,22,24-27H,1-7,12-15H2/t17-,18+,19-,20+,22-,24-,25+,26-,27+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C4=CC=C(C=C4)[C@@H]5O[C@@H](C[C@@H](O5)C6=CC=C(C=C6)CO)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C55H66N4O7S/c1-37-18-29-46(30-19-37)67(63,64)58-48(32-38-12-6-5-7-13-38)52(61)56-34-44-15-8-10-16-47(44)40-24-26-43(27-25-40)54-65-45(33-51(66-54)42-22-20-39(36-60)21-23-42)35-59-49-17-11-9-14-41(49)28-31-50(59)53(62)57-55(2,3)4/h5-8,10,12-13,15-16,18-27,29-30,41,45,48-51,54,58,60H,9,11,14,17,28,31-36H2,1-4H3,(H,56,61)(H,57,62)/t41-,45+,48-,49-,50-,51-,54-/m1/s1
SMILES: CC1=NC2=C(N=C(N=C2N(C1=O)[C@H]3C[C@@H]([C@H](O3)COCC4=CC=C(C=C4)Cl)OCC5=CC=C(C=C5)Cl)C)N
InChI: InChI=1S/C27H27Cl2N5O4/c1-15-27(35)34(26-24(31-15)25(30)32-16(2)33-26)23-11-21(37-13-18-5-9-20(29)10-6-18)22(38-23)14-36-12-17-3-7-19(28)8-4-17/h3-10,21-23H,11-14H2,1-2H3,(H2,30,32,33)/t21-,22+,23+/m0/s1
SMILES: C[C@H](CCC(=O)N1C[C@@H](C[C@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OC(=O)CCC(=O)OC5=C(C(=CC(=C5F)F)F)F)[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CCC9[C@@]8(CC[C@H](C9)OC)C)C
InChI: InChI=1S/C61H73F4NO9/c1-37(48-23-24-49-47-22-17-41-32-45(72-6)28-30-59(41,2)50(47)29-31-60(48,49)3)12-25-53(67)66-35-46(74-54(68)26-27-55(69)75-58-56(64)51(62)34-52(63)57(58)65)33-42(66)36-73-61(38-10-8-7-9-11-38,39-13-18-43(70-4)19-14-39)40-15-20-44(71-5)21-16-40/h7-11,13-16,18-21,34,37,41-42,45-50H,12,17,22-33,35-36H2,1-6H3/t37-,41?,42+,45-,46-,47+,48-,49+,50+,59+,60-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)CCC4=CC=C(C=C4)F)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H20FNO5/c29-18-12-10-16(11-13-18)14-15-30-26(33)21-22(27(30)34)28(35-23(21)17-6-2-1-3-7-17)24(31)19-8-4-5-9-20(19)25(28)32/h1-13,21-23H,14-15H2/t21-,22-,23+/m1/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1/C=C/CCN(C)C)O)C2CC[C@@]3(C([C@H]2O)CCC3=C)C
InChI: InChI=1S/C24H41NO2/c1-17-9-10-20-22(27)21(12-14-23(17,20)2)24(3)13-11-19(26)16-18(24)8-6-7-15-25(4)5/h6,8,18-22,26-27H,1,7,9-16H2,2-5H3/b8-6+/t18-,19-,20?,21?,22+,23-,24-/m0/s1
SMILES: B(C1=CC(=CC=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(=C6Br)Br)O)OC)C)C7=CC=CC=C7)(O)O
InChI: InChI=1S/C34H29BBr2N2O8/c1-34-23(31(42)39(33(34)44)17-8-4-3-5-9-17)14-21-19(26(34)22-15-24(47-2)29(40)28(37)27(22)36)11-12-20-25(21)32(43)38(30(20)41)18-10-6-7-16(13-18)35(45)46/h3-11,13,15,20-21,23,25-26,40,45-46H,12,14H2,1-2H3/t20-,21+,23-,25-,26+,34+/m0/s1
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C)\C(C)C
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: COC(=O)[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5
InChI: InChI=1S/C19H28O7/c1-21-16(20)14-12-13(24-18(23-12)8-4-2-5-9-18)15-17(22-14)26-19(25-15)10-6-3-7-11-19/h12-15,17H,2-11H2,1H3/t12-,13-,14-,15+,17-/m0/s1
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17+,18+,20+,21+,22-,23-,26+,27?/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6)O
InChI: InChI=1S/C34H30N2O8S/c37-30-28(21-42-19-22-9-3-1-4-10-22)44-34(45-25-17-15-24(16-18-25)36(40)41)29(31(30)43-20-23-11-5-2-6-12-23)35-32(38)26-13-7-8-14-27(26)33(35)39/h1-18,28-31,34,37H,19-21H2/t28-,29-,30-,31-,34+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)[C@H](C)OC2=CC=CC(=C2C)C
InChI: InChI=1S/C19H29N3O2S/c1-12-9-7-11-17(14(12)3)24-15(4)18(23)21-22-19(25)20-16-10-6-5-8-13(16)2/h7,9,11,13,15-16H,5-6,8,10H2,1-4H3,(H,21,23)(H2,20,22,25)/t13-,15-,16+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=O)/C(=C(/C(F)(F)F)\F)/F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C34H23F5N4O8/c35-26(34(37,38)39)27(36)42-18-41-28-23(29(42)44)40-17-43(28)30-25(51-33(47)21-14-8-3-9-15-21)24(50-32(46)20-12-6-2-7-13-20)22(49-30)16-48-31(45)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,30H,16H2/b27-26-/t22-,24-,25-,30-/m1/s1
SMILES: CCCCCCCCC(C(=O)OC1=C[C@H]([C@@H]2C[C@@H]3[C@]4([C@@H](CC(=O)O3)C(=C(C(=O)[C@@H]4[C@]2(C1=O)C)OC)C)C)C)NOC(=O)C(C)(C)C
InChI: InChI=1S/C36H53NO9/c1-10-11-12-13-14-15-16-24(37-46-33(42)34(4,5)6)32(41)44-25-17-20(2)22-18-26-35(7)23(19-27(38)45-26)21(3)29(43-9)28(39)30(35)36(22,8)31(25)40/h17,20,22-24,26,30,37H,10-16,18-19H2,1-9H3/t20-,22+,23+,24?,26-,30+,35-,36+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CN3CCC4=C([C@@H]3C5=CC=CS5)C=CS4
InChI: InChI=1S/C20H22N2O2S2/c23-19-13-4-1-2-5-14(13)20(24)22(19)12-21-9-7-16-15(8-11-26-16)18(21)17-6-3-10-25-17/h3,6,8,10-11,13-14,18H,1-2,4-5,7,9,12H2/t13-,14-,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]
InChI: InChI=1S/C16H22N2O4/c1-11-4-3-5-14(12(11)2)17-15(19)10-22-16(20)13-6-8-18(21)9-7-13/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,17,19)/t11-,12+,14-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
InChI: InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19+,20+,21-,23-;/m1./s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)/C=C/C(=O)O
InChI: InChI=1S/C12H14FN3O6/c13-8-9(20)6(4-17)22-11(8)16-3-5(1-2-7(18)19)10(14)15-12(16)21/h1-3,6,8-9,11,17,20H,4H2,(H,18,19)(H2,14,15,21)/b2-1+/t6-,8+,9-,11-/m1/s1
SMILES: CC(C)[C@@]1([C@H]2[C@H]([C@@]3([C@]([C@@H]1C(=O)O2)([C@@H]4[C@H]([C@]35C(=C(C(=O)O5)C=O)OC)O4)O)C)OC)O
InChI: InChI=1S/C20H24O10/c1-7(2)18(24)9-16(23)29-12(18)11(27-5)17(3)19(9,25)13-14(28-13)20(17)10(26-4)8(6-21)15(22)30-20/h6-7,9,11-14,24-25H,1-5H3/t9-,11-,12-,13+,14-,17-,18-,19+,20-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=CC=C5)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
InChI: InChI=1S/C28H22Cl2N2O7/c1-31-25(38)27(29)12-19-17(21(28(27,30)26(31)39)13-4-3-7-16(33)11-13)8-9-18-20(19)23(35)32(22(18)34)15-6-2-5-14(10-15)24(36)37/h2-8,10-11,18-21,33H,9,12H2,1H3,(H,36,37)/t18-,19+,20-,21-,27+,28-/m0/s1
SMILES: C[C@]12CCC([C@H]1[C@H]3[C@@H](C2)CCC3=C)(COS(=O)(=O)C)COS(=O)(=O)C
InChI: InChI=1S/C17H28O6S2/c1-12-5-6-13-9-16(2)7-8-17(15(16)14(12)13,10-22-24(3,18)19)11-23-25(4,20)21/h13-15H,1,5-11H2,2-4H3/t13-,14-,15+,16-/m1/s1
SMILES: C[C@H](CCCC[C@@H]1[C@H]([C@@H]2N(O1)[C@H]3[C@@H]4CC[C@]([C@H]3O2)(C4(C)C)C)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C/C(=C/I)/C
InChI: InChI=1S/C43H54INO3/c1-30(27-31(2)28-44)17-15-16-24-37-35(40-45(48-37)38-36-25-26-42(5,39(38)47-40)41(36,3)4)29-46-43(32-18-9-6-10-19-32,33-20-11-7-12-21-33)34-22-13-8-14-23-34/h6-14,18-23,28,30,35-40H,15-17,24-27,29H2,1-5H3/b31-28+/t30-,35-,36+,37-,38+,39+,40-,42-/m1/s1
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1C2N([C@@H]3CCCC[C@H]3N2C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C20H28N2O2.3CO.Cr/c1-4-24-19(23)14-13-15-9-5-6-10-16(15)20-21(2)17-11-7-8-12-18(17)22(20)3;3*1-2;/h5-6,9-10,13-14,17-18,20H,4,7-8,11-12H2,1-3H3;;;;/b14-13+;;;;/t17-,18-;;;;/m1..../s1
SMILES: C1=CC(=CC=C1C2=NO[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI: InChI=1S/C17H10FN3O5/c18-10-3-7-11(8-4-10)20-16(22)13-14(19-26-15(13)17(20)23)9-1-5-12(6-2-9)21(24)25/h1-8,13,15H/t13-,15-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC3CC3)N4C=NC5=C(N=CN=C54)NCCC6=CN(C7=CC=CC=C76)CC8=CC=CC=N8)C
InChI: InChI=1S/C32H34N8O4/c1-32(2)43-25-26(30(41)38-20-10-11-20)42-31(27(25)44-32)40-18-37-24-28(35-17-36-29(24)40)34-14-12-19-15-39(16-21-7-5-6-13-33-21)23-9-4-3-8-22(19)23/h3-9,13,15,17-18,20,25-27,31H,10-12,14,16H2,1-2H3,(H,38,41)(H,34,35,36)/t25-,26+,27-,31-/m1/s1
SMILES: CC(C)[Si]1(OC[C@H]2[C@@H]([C@H]([C@@H](O2)OC)OC(=O)C3=CC=CC=C3)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C25H42O7Si2/c1-16(2)33(17(3)4)28-15-21-22(31-34(32-33,18(5)6)19(7)8)23(25(27-9)29-21)30-24(26)20-13-11-10-12-14-20/h10-14,16-19,21-23,25H,15H2,1-9H3/t21-,22-,23+,25+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)NC3=NC=CC(=N3)C4=CC=CO4
InChI: InChI=1S/C14H15N3O4/c18-10-7-21-12-9(6-20-13(10)12)17-14-15-4-3-8(16-14)11-2-1-5-19-11/h1-5,9-10,12-13,18H,6-7H2,(H,15,16,17)/t9-,10+,12+,13+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=C(C=C6OC)OC)O)C(=O)N(C5=O)C7=CC=CC(=C7)B(O)O)(O)O
InChI: InChI=1S/C34H32B2N2O11/c1-48-20-13-25(39)30(26(14-20)49-2)28-21-9-10-22-27(33(42)37(31(22)40)18-7-3-5-16(11-18)35(44)45)23(21)15-24-29(28)34(43)38(32(24)41)19-8-4-6-17(12-19)36(46)47/h3-9,11-14,22-24,27-29,39,44-47H,10,15H2,1-2H3/t22-,23+,24+,27-,28-,29+/m0/s1
SMILES: CC[C@@](C=C)(C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC3=CC=CC=C3C=C2)C)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C33H39NO3/c1-6-33(7-2,34-30(35)25-14-9-8-10-15-25)31(36)37-29-21-23(3)17-20-28(29)32(4,5)27-19-18-24-13-11-12-16-26(24)22-27/h6,8-16,18-19,22-23,28-29H,1,7,17,20-21H2,2-5H3,(H,34,35)/t23-,28-,29-,33+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OC(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C25H33N5O5Si/c1-25(2,3)36(4,5)33-13-17-21(35-18(31)12-11-16-9-7-6-8-10-16)20(32)24(34-17)30-15-29-19-22(26)27-14-28-23(19)30/h6-12,14-15,17,20-21,24,32H,13H2,1-5H3,(H2,26,27,28)/b12-11+/t17-,20-,21-,24-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H](C(C1(OCC)OCC)(OCC)OCC)C2=CC=CC=C2)C#N
InChI: InChI=1S/C22H31NO6/c1-6-25-19(24)20(16-23)18(17-14-12-11-13-15-17)21(26-7-2,27-8-3)22(20,28-9-4)29-10-5/h11-15,18H,6-10H2,1-5H3/t18-,20-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN(C3=N)CC4=CC=CC=C4[N+](=O)[O-])O)O
InChI: InChI=1S/C19H21N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19-20,27-28H,2,7H2,1H3,(H,21,29)/t13-,14+,15-,19+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)OC)OC)O)O)O)O)O)O
InChI: InChI=1S/C29H34O14/c1-12-21(30)24(33)26(35)28(41-12)40-11-20-23(32)25(34)27(36)29(43-20)42-19-9-17-15(8-18(19)38-3)22(31)16(10-39-17)13-4-6-14(37-2)7-5-13/h4-10,12,20-21,23-30,32-36H,11H2,1-3H3/t12-,20+,21+,23+,24+,25-,26+,27+,28+,29+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H28O3/c1-5-13-24(14-6-1)21-31-22-28-29(33-28)23-32-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2/t28-,29-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2)C=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H24O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-6-15(8-16)9-22/h5-9,17-21H,10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
SMILES: C[C@]12[C@H](C=CC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
InChI: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19?/m1/s1
SMILES: C[C@@]12CC=C([C@@](O1)([C@@](C2)(C)O[Si](C)(C)C)C)O[Si](C)(C)C
InChI: InChI=1S/C16H32O3Si2/c1-14-11-10-13(17-20(4,5)6)16(3,18-14)15(2,12-14)19-21(7,8)9/h10H,11-12H2,1-9H3/t14-,15-,16+/m0/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(C)(C)C)C)C
InChI: InChI=1S/C26H38O3/c1-16(27)20-9-10-21-19-8-7-17-15-18(29-23(28)24(2,3)4)11-13-25(17,5)22(19)12-14-26(20,21)6/h7,9,18-19,21-22H,8,10-15H2,1-6H3/t18-,19-,21-,22-,25-,26+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H19NO7/c23-13-5-6-14-12(9-19(25)29-17(14)10-13)11-28-18(24)7-8-22-20(26)15-3-1-2-4-16(15)21(22)27/h1-2,5-6,9-10,15-16,23H,3-4,7-8,11H2/t15-,16-/m0/s1
SMILES: CC[C@@H]1[C@@](C2C(C(=NC(=O)C)C(C[C@](C([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3C([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C\C=C\C4=CC(=CC=C4)Cl)/CO2)C)C)C)(C)O
InChI: InChI=1S/C43H63ClN2O10/c1-12-34-43(9,51)39-26(4)35(45-29(7)47)24(2)21-42(8,53-23-31(22-52-39)17-13-15-30-16-14-18-32(44)20-30)38(27(5)36(48)28(6)40(50)55-34)56-41-37(49)33(46(10)11)19-25(3)54-41/h13-18,20,24-28,33-34,37-39,41,49,51H,12,19,21-23H2,1-11H3/b15-13+,31-17-,45-35?/t24?,25-,26?,27+,28-,33+,34-,37?,38?,39?,41+,42-,43-/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C
InChI: InChI=1S/C21H18ClN3O4/c1-11-7-4-5-9-14(11)25-18-16(17(23-25)21(28)29-3)19(26)24(20(18)27)15-10-6-8-13(22)12(15)2/h4-10,16,18H,1-3H3/t16-,18-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)[NH2+][C@@H](C)C(=O)NC2=CC(=CC=C2)Cl
InChI: InChI=1S/C17H25ClN2O/c1-11-6-4-9-16(12(11)2)19-13(3)17(21)20-15-8-5-7-14(18)10-15/h5,7-8,10-13,16,19H,4,6,9H2,1-3H3,(H,20,21)/p+1/t11-,12-,13+,16+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H](CC4=CC=CC=C4)CN=C(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C33H36N2O3S/c1-32(2)28-18-19-33(32)23-39(37,38)35(29(33)21-28)31(36)27(20-24-12-6-3-7-13-24)22-34-30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-29H,18-23H2,1-2H3/t27-,28-,29-,33-/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)[O-])C
InChI: InChI=1S/C17H20FNO3/c1-10-7-14(15(17(21)22)8-11(10)2)16(20)19-9-12-3-5-13(18)6-4-12/h3-6,14-15H,7-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t14-,15-/m1/s1
SMILES: CN(CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC5=NC=CS5
InChI: InChI=1S/C23H29N7OS/c1-28(12-17-5-3-2-4-6-17)13-19-14-30(27-26-19)15-20-11-18-7-9-29(20)16-21(18)22(31)25-23-24-8-10-32-23/h2-6,8,10,14,18,20-21H,7,9,11-13,15-16H2,1H3,(H,24,25,31)/t18-,20-,21+/m1/s1
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C(C)C)(OC5)C)O)O)C)O
InChI: InChI=1S/C24H32O9/c1-9(2)20(29)33-15-17-23(5)19(28)14(26)16-22(4)11(10(3)6-12(25)18(22)27)7-13(32-21(15)30)24(16,17)8-31-23/h6,9,11,13-19,26-28H,7-8H2,1-5H3/t11-,13+,14+,15+,16+,17-,18+,19-,22-,23+,24+/m0/s1
SMILES: C1C2C([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4SCC5=CC=CC=C5)O)OP(=O)(O1)O
InChI: InChI=1S/C17H17N4O6PS/c22-13-14-11(6-25-28(23,24)27-14)26-17(13)21-9-20-12-15(21)18-8-19-16(12)29-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22H,6-7H2,(H,23,24)/t11?,13-,14?,17-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCSC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)C(=O)C6CC6
InChI: InChI=1S/C46H64N2O7S/c1-6-23-48(44(51)32-19-20-32)41-31-39(47-55-45(3,4)5)37-29-33(15-11-13-24-49)36(18-12-14-25-50)42-38-30-34(52-27-28-56-35-16-9-8-10-17-35)21-22-40(38)54-46(41,43(37)42)53-26-7-2/h7-10,16-17,21-22,29-30,32-33,36,41-43,49-50H,2,6,11-15,18-20,23-28,31H2,1,3-5H3/t33-,36+,41-,42+,43+,46+/m0/s1
SMILES: C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3CN(CC[C@H]3C4=C(NC5=C4C=CC=C5Cl)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C37H37ClN2O6/c1-35(2)36(3)18-19-37(35,46-32(36)41)33(42)45-28-21-40(34(43)44-22-23-11-6-4-7-12-23)20-17-25(28)29-26-15-10-16-27(38)31(26)39-30(29)24-13-8-5-9-14-24/h4-16,25,28,39H,17-22H2,1-3H3/t25-,28-,36-,37+/m1/s1
SMILES: C=CCCC(=O)N(C[C@@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C25H32N2O6/c1-2-3-10-21(29)27(15-16-7-6-13-32-16)19-14-18(25(31)26-11-12-28)22-17-8-4-5-9-20(17)33-24(22)23(19)30/h2,4-5,8-9,14,16,19,22-24,28,30H,1,3,6-7,10-13,15H2,(H,26,31)/t16-,19+,22-,23-,24-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](CO[C@H]([C@@H]2O1)SC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C21H24O4S/c1-21(2)24-18-17(22-13-15-9-5-3-6-10-15)14-23-20(19(18)25-21)26-16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20+/m1/s1
SMILES: CC1(C[C@@]2(CCO1)[C@H](CC(=O)O2)C(=O)NC3=CC(=CC=C3)OC)C
InChI: InChI=1S/C18H23NO5/c1-17(2)11-18(7-8-23-17)14(10-15(20)24-18)16(21)19-12-5-4-6-13(9-12)22-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,19,21)/t14-,18+/m1/s1
SMILES: CN1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=C(C=C3)OCC(=O)N)OC
InChI: InChI=1S/C22H22N6O3/c1-28-6-5-14-15(8-23)21(27)22(11-24,12-25)20(16(14)9-28)13-3-4-17(18(7-13)30-2)31-10-19(26)29/h3-5,7,15-16,20,27H,6,9-10H2,1-2H3,(H2,26,29)/t15?,16-,20-/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)O[C@@H]2C[C@H](CC[C@@H]2C(C)C)C
InChI: InChI=1S/C23H35NO4/c1-6-24(7-2)19-11-9-18(10-12-19)23(26)27-15-22(25)28-21-14-17(5)8-13-20(21)16(3)4/h9-12,16-17,20-21H,6-8,13-15H2,1-5H3/t17-,20+,21+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C(=O)O)C)(C)C)O)C)COC(=O)/C=C/C6=CC=C(C=C6)O
InChI: InChI=1S/C39H54O6/c1-24(2)27-15-20-38(23-45-32(42)14-9-25-7-10-26(40)11-8-25)21-22-39(34(43)44)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9+/t27-,28+,29-,30+,31-,33+,36-,37+,38+,39+/m0/s1
SMILES: CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C32H46N2O7S/c1-5-8-9-10-20-42(36,37)34(17-6-2)19-18-33-22-27(25-13-16-28-29(21-25)41-23-40-28)30(32(35)39-7-3)31(33)24-11-14-26(38-4)15-12-24/h11-16,21,27,30-31H,5-10,17-20,22-23H2,1-4H3/t27-,30-,31+/m1/s1
SMILES: CCC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OCC4=CC(=C(C=C4)Cl)NC(=O)OC)COC(=O)C5=CC=CC=C5)O)O
InChI: InChI=1S/C31H38ClNO14/c1-3-21-41-13-19-26(46-21)23(35)25(37)30(45-19)47-27-20(14-42-28(38)16-7-5-4-6-8-16)44-29(24(36)22(27)34)43-12-15-9-10-17(32)18(11-15)33-31(39)40-2/h4-11,19-27,29-30,34-37H,3,12-14H2,1-2H3,(H,33,39)/t19-,20-,21?,22-,23-,24-,25-,26-,27-,29-,30-/m1/s1