EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)Br
InChI: InChI=1S/C25H20BrN3O6/c1-14-6-9-16(10-7-14)27-24(30)21-22(15-8-11-20(34-2)19(26)12-15)28(35-23(21)25(27)31)17-4-3-5-18(13-17)29(32)33/h3-13,21-23H,1-2H3/t21-,22+,23-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)S[C@@H]2CCO[C@@H]2CNC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H50N4O9SSi/c1-18(2)26(35-31(40)44-17-21-10-12-22(13-11-21)36(41)42)29(38)33-16-23-24(14-15-43-23)46-30(39)19(3)27-25(28(37)34-27)20(4)45-47(8,9)32(5,6)7/h10-13,18-20,23-27H,14-17H2,1-9H3,(H,33,38)(H,34,37)(H,35,40)/t19-,20-,23-,24-,25-,26+,27-/m1/s1
SMILES: CC(=O)O[C@]12[C@H]([C@@H]([C@]3(CC(C1[C@H]3OCC4=CC=CC=C4)[C@]56[C@H](CC[C@@]7(C5[C@H](C2C6N(C7)C)OC)COC)OC)O)OC)O
InChI: InChI=1S/C33H47NO9/c1-18(35)43-33-22-20(14-31(37,29(41-6)27(33)36)28(22)42-15-19-10-8-7-9-11-19)32-21(39-4)12-13-30(17-38-3)16-34(2)26(32)23(33)24(40-5)25(30)32/h7-11,20-29,36-37H,12-17H2,1-6H3/t20?,21-,22?,23?,24-,25?,26?,27-,28+,29-,30-,31+,32-,33+/m0/s1
SMILES: COC1=CC(=CC(=O)C1=O)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)N(CCCl)N=O
InChI: InChI=1S/C23H20ClN3O9/c1-33-17-5-10(4-14(28)21(17)29)18-11-6-15-16(36-9-35-15)7-12(11)20(13-8-34-22(30)19(13)18)25-23(31)27(26-32)3-2-24/h4-7,13,18-20H,2-3,8-9H2,1H3,(H,25,31)/t13-,18+,19-,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)[C@H](CCCC[C@H](OP(=O)(O3)OC)[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)OP(N(C(C)C)C(C)C)OCCC#N)OC6(C7=CC=CC=C7OC8=CC=CC=C86)C9=CC=CC=C9
InChI: InChI=1S/C53H64N6O14P2/c1-32(2)59(33(3)4)74(66-27-17-26-54)71-43-28-45(57-30-34(5)49(60)55-51(57)62)69-48(43)42-25-16-15-24-41(47-44(73-75(64,65-7)72-42)29-46(68-47)58-31-35(6)50(61)56-52(58)63)70-53(36-18-9-8-10-19-36)37-20-11-13-22-39(37)67-40-23-14-12-21-38(40)53/h8-14,18-23,30-33,41-48H,15-17,24-25,27-29H2,1-7H3,(H,55,60,62)(H,56,61,63)/t41-,42-,43-,44-,45+,46+,47+,48+,74?,75?/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
InChI: InChI=1S/C23H28N2O5/c1-14-8-6-11-18(15(14)2)24-21(26)16(3)30-23(28)17-9-4-5-10-19(17)25-22(27)20-12-7-13-29-20/h4-5,7,9-10,12-16,18H,6,8,11H2,1-3H3,(H,24,26)(H,25,27)/t14-,15-,16-,18-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)[Se]C4=CC=CC=C4)N=[N+]=[N-]
InChI: InChI=1S/C26H27N3O2Se/c27-29-28-24-16-25(31-18-21-12-6-2-7-13-21)23(19-30-17-20-10-4-1-5-11-20)26(24)32-22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24+,25+,26+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CC(C4=C3C=CC(=C4)O)O
InChI: InChI=1S/C18H24O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14-17,19-22H,4-5,7-8H2,1H3/t11-,12-,14+,15?,16-,17+,18+/m1/s1
SMILES: CC12[C@H](CC[C@@]3(C1[C@@H]([C@]45C3[C@H](C[C@H](C4)C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O)O[Si](C)(C)C
InChI: InChI=1S/C26H42O6Si2/c1-15-13-25-14-16(15)12-17(31-33(4,5)6)20(25)26-11-10-18(32-34(7,8)9)24(2,23(28)30-26)21(26)19(25)22(27)29-3/h16-21H,1,10-14H2,2-9H3/t16-,17+,18+,19-,20?,21?,24?,25-,26-/m1/s1
SMILES: CN1[C@H]([C@@H]1C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O3/c1-17-14(12-8-5-9-13(10-12)18(20)21)15(17)16(19)11-6-3-2-4-7-11/h2-10,14-15H,1H3/t14-,15+,17?/m0/s1
SMILES: CC(=O)O[C@H]1CCOC(=O)[C@H]2[C@@H]1O[N+]3([C@@H]2CCC3)CC4=CC=CC=C4.[Br-]
InChI: InChI=1S/C19H24NO5.BrH/c1-13(21)24-16-9-11-23-19(22)17-15-8-5-10-20(15,25-18(16)17)12-14-6-3-2-4-7-14;/h2-4,6-7,15-18H,5,8-12H2,1H3;1H/q+1;/p-1/t15-,16+,17-,18-,20?;/m1./s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=CC(=O)NC6=O)OP(=S)(O5)S
InChI: InChI=1S/C30H29N2O8PS2/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-2)15-11-21)37-18-24-26-27(40-41(42,43)39-26)28(38-24)32-17-16-25(33)31-29(32)34/h3-17,24,26-28H,18H2,1-2H3,(H,42,43)(H,31,33,34)/t24-,26-,27-,28-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCC[C@@H]9C(=O)NCCO)CCC1O2
InChI: InChI=1S/C49H56N2O8/c1-47(2)30-37-33(20-21-42-48(3,58-42)23-22-38(37)47)27-31-16-18-32(19-17-31)46(55)56-40-28-34(45(54)51-25-10-15-39(51)44(53)50-24-26-52)29-41-43(40)59-49(57-41,35-11-6-4-7-12-35)36-13-8-5-9-14-36/h4-9,11-14,16-19,27,29,37-43,52H,10,15,20-26,28,30H2,1-3H3,(H,50,53)/t37-,38-,39-,40-,41-,42?,43+,48-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@]3(CCCO3)[C@@H]([C@H](O2)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H50N2O8Si/c1-27-25-42(37(44)41-35(27)43)36-39(23-12-24-47-39)34(50-51(7,8)38(2,3)4)33(49-36)26-48-40(28-13-10-9-11-14-28,29-15-19-31(45-5)20-16-29)30-17-21-32(46-6)22-18-30/h9-11,13-22,25,33-34,36H,12,23-24,26H2,1-8H3,(H,41,43,44)/t33-,34-,36-,39-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](NC(=O)NC2=C)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C20H18F3N3O3/c1-11-16(18(27)25-14-6-8-15(29-2)9-7-14)17(26-19(28)24-11)12-4-3-5-13(10-12)20(21,22)23/h3-10,16-17H,1H2,2H3,(H,25,27)(H2,24,26,28)/t16-,17+/m1/s1
SMILES: C[N+]1(CCCC1)CC2=C(N3[C@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].O.Cl
InChI: InChI=1S/C19H24N6O5S2.ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);1H;1H2/b23-12-;;/t13-,17+;;/m1../s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C16H15FN2O3/c17-10-4-3-5-11(8-10)18-14(20)9-19-15(21)12-6-1-2-7-13(12)16(19)22/h1-5,8,12-13H,6-7,9H2,(H,18,20)/t12-,13+
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)COC2=C(C=C(C=C2)C)C
InChI: InChI=1S/C20H29NO4/c1-13-8-9-18(15(3)10-13)24-12-20(23)25-11-19(22)21-17-7-5-6-14(2)16(17)4/h8-10,14,16-17H,5-7,11-12H2,1-4H3,(H,21,22)/t14-,16-,17-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4CCCN4C5([C@@H]3C2=O)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C25H22N2O5/c1-2-32-15-11-9-14(10-12-15)27-23(30)19-18-8-5-13-26(18)25(20(19)24(27)31)21(28)16-6-3-4-7-17(16)22(25)29/h3-4,6-7,9-12,18-20H,2,5,8,13H2,1H3/t18-,19-,20+/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C40H30Cl3F3N4O6/c1-2-56-30-5-3-4-26(33(30)51)32-24-14-15-25-31(37(54)49(35(25)52)23-12-10-22(42)11-13-23)27(24)17-28-36(53)50(38(55)39(28,32)19-6-8-21(41)9-7-19)48-34-29(43)16-20(18-47-34)40(44,45)46/h3-14,16,18,25,27-28,31-32,51H,2,15,17H2,1H3,(H,47,48)/t25-,27+,28-,31-,32+,39+/m0/s1
SMILES: CC(C)[C@@H](C(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)OC)C=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26N2O5/c1-13(2)17(22-21(26)28-12-14-7-5-4-6-8-14)19(24)23-16-10-9-15(11-16)18(23)20(25)27-3/h4-10,13,15-18H,11-12H2,1-3H3,(H,22,26)/t15-,16+,17-,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C19H19NO8/c1-10-15(21)17(23)18(24)19(27-10)28-14-8-4-12(5-9-14)16(22)11-2-6-13(7-3-11)20(25)26/h2-10,15,17-19,21,23-24H,1H3/t10-,15-,17+,18+,19+/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@H]([C@@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OCC)OC)OC)O)COC
InChI: InChI=1S/C36H53NO11/c1-9-37-17-33(18-41-3)23(38)14-24(44-6)36-20-15-34(40)25(45-7)16-35(47-10-2,27(30(36)37)28(46-8)29(33)36)26(20)31(34)48-32(39)19-11-12-21(42-4)22(13-19)43-5/h11-13,20,23-31,38,40H,9-10,14-18H2,1-8H3/t20-,23-,24+,25+,26-,27-,28+,29-,30+,31-,33+,34+,35-,36?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F
InChI: InChI=1S/C18H25FN2O4S/c1-13-4-2-3-5-17(13)20-18(22)15-12-14(6-7-16(15)19)26(23,24)21-8-10-25-11-9-21/h6-7,12-13,17H,2-5,8-11H2,1H3,(H,20,22)/t13-,17-/m0/s1
SMILES: C1[C@@H]([C@@H]1C(=O)NNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H17N3O4/c23-18(11-8-13-6-9-15(10-7-13)22(25)26)20-21-19(24)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,20,23)(H,21,24)/b11-8+/t16-,17-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H]([C@@H]([C@H](O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H25N5O7/c37-16-22-24(42-30(39)20-12-6-2-7-13-20)25(43-31(40)21-14-8-3-9-15-21)29(41-22)36-18-34-23-26(32-17-33-27(23)36)35-28(38)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,29,37H,16H2,(H,32,33,35,38)/t22-,24-,25+,29-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5/C(=N/OC6=CC=C(C=C6)C(F)(F)F)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O
InChI: InChI=1S/C27H27F3N2O4/c28-27(29,30)17-4-6-18(7-5-17)36-31-19-9-10-26(34)21-13-16-3-8-20(33)23-22(16)25(26,24(19)35-23)11-12-32(21)14-15-1-2-15/h3-8,15,21,24,33-34H,1-2,9-14H2/b31-19+/t21-,24+,25+,26-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@H]4C2=O)C(=O)OCC(C)C
InChI: InChI=1S/C20H23NO4/c1-12(2)10-24-19(23)16-15-8-9-20(25-15)11-21(18(22)17(16)20)14-6-4-13(3)5-7-14/h4-9,12,15-17H,10-11H2,1-3H3/t15-,16-,17-,20-/m0/s1
SMILES: C[C@@]12CC[C@@]34CCC(C(C3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC(C(=O)C6(C)C)OC(=O)OCC7COC(O7)(C)C)C)C)OC4)(C)C
InChI: InChI=1S/C37H58O7/c1-31(2)14-16-37-17-15-35(8)23(27(37)29(31)41-21-37)10-11-26-34(7)18-24(28(38)32(3,4)25(34)12-13-36(26,35)9)43-30(39)40-19-22-20-42-33(5,6)44-22/h22-27,29H,10-21H2,1-9H3/t22?,23-,24?,25+,26-,27?,29?,34+,35-,36-,37-/m1/s1
SMILES: CCOC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@]3(C(CC[C@]3(C(C(F)(F)F)(F)F)OC)C4C2=C5CCC(=O)C=C5CC4)C
InChI: InChI=1S/C31H34F5NO5/c1-4-41-27(39)42-37-17-18-5-7-19(8-6-18)24-16-28(2)25(13-14-29(28,40-3)30(32,33)31(34,35)36)23-11-9-20-15-21(38)10-12-22(20)26(23)24/h5-8,15,17,23-25H,4,9-14,16H2,1-3H3/b37-17+/t23?,24-,25?,28+,29+/m1/s1
SMILES: C[C@H]1[C@@]23[C@@H](C=C(C[C@]4([C@H]2C=C(C4=O)C)O)COC(=O)CC5=CC(=C(C=C5)O)OC)[C@H]6[C@@]1([C@](C6(C)C)(O3)O)OC(=O)CC7=CC=CC=C7
InChI: InChI=1S/C37H40O10/c1-20-13-28-34(42,32(20)41)18-24(19-45-29(39)17-23-11-12-26(38)27(15-23)44-5)14-25-31-33(3,4)37(43)36(31,21(2)35(25,28)47-37)46-30(40)16-22-9-7-6-8-10-22/h6-15,21,25,28,31,38,42-43H,16-19H2,1-5H3/t21-,25-,28+,31+,34+,35+,36-,37-/m0/s1
SMILES: CC1=C[C@@H]([C@H](C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O
InChI: InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31?,32-,38-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@@H]4[NH+]1C=CC5=CC=CC=C45
InChI: InChI=1S/C18H17NO4/c1-9(20)15-13-12-8-22-18(23-12)17(21)14(13)16-11-5-3-2-4-10(11)6-7-19(15)16/h2-7,12-16,18H,8H2,1H3/p+1/t12-,13-,14-,15+,16+,18-/m0/s1
SMILES: CN1C=C(C2=C1[C@H]3[C@@]45CCN([C@@H]([C@@]4(C2)O)CC6=C5C(=C(C=C6)O)O3)CC7CC7)C8=CC=CC=C8
InChI: InChI=1S/C29H30N2O3/c1-30-16-21(18-5-3-2-4-6-18)20-14-29(33)23-13-19-9-10-22(32)26-24(19)28(29,27(34-26)25(20)30)11-12-31(23)15-17-7-8-17/h2-6,9-10,16-17,23,27,32-33H,7-8,11-15H2,1H3/t23-,27+,28+,29-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C30H55NO9/c1-12-22-30(8,36)25(34)20(6)23(32)18(4)15-29(7,37-11)26(16(2)13-17(3)27(35)39-22)40-28-24(33)21(31(9)10)14-19(5)38-28/h16-22,24-26,28,33-34,36H,12-15H2,1-11H3/t16-,17+,18+,19+,20-,21-,22+,24+,25+,26+,28-,29-,30+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O
InChI: InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1=CC[C@@H]2O[Si](C)(C)C(C)(C)C)(C)C)O
InChI: InChI=1S/C18H34O2Si/c1-16(2,3)21(7,8)20-15-10-9-13-17(4,5)14(19)11-12-18(13,15)6/h9,14-15,19H,10-12H2,1-8H3/t14-,15-,18-/m0/s1
SMILES: COC1=C(C(=C(C(=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=C(C=C6)Cl)C(=O)N(C3=O)C7=CC=C(C=C7)Cl)Br)Br)O
InChI: InChI=1S/C33H24Br2Cl2N2O6/c1-45-23-13-21(27(34)28(35)29(23)40)24-18-10-11-19-25(32(43)38(30(19)41)16-6-2-14(36)3-7-16)20(18)12-22-26(24)33(44)39(31(22)42)17-8-4-15(37)5-9-17/h2-10,13,19-20,22,24-26,40H,11-12H2,1H3/t19-,20+,22+,24+,25-,26+/m0/s1
SMILES: CN(C1=C(C=CC(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)C(=O)OC3=C(C=C(C=C3)N(CCCl)CCCl)F
InChI: InChI=1S/C25H28Cl2FN3O11/c1-29(25(36)41-17-5-3-13(11-15(17)28)30(9-7-26)10-8-27)16-12-14(31(37)38)4-6-18(16)40-24-21(34)19(32)20(33)22(42-24)23(35)39-2/h3-6,11-12,19-22,24,32-34H,7-10H2,1-2H3/t19-,20-,21+,22-,24+/m0/s1
SMILES: CCOC(=O)C1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)C(Cl)Cl
InChI: InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24?/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)N)O
InChI: InChI=1S/C18H26N2O3/c1-23-14-7-5-13(6-8-14)17-15-4-2-3-9-18(15,22)10-11-20(17)12-16(19)21/h5-8,15,17,22H,2-4,9-12H2,1H3,(H2,19,21)/t15-,17-,18-/m0/s1
SMILES: CCOC(=O)C1=C[C@@H]2[C@H]3[C@@H]([C@H]1OC2=O)OC(=O)O3
InChI: InChI=1S/C11H10O7/c1-2-15-9(12)4-3-5-7-8(18-11(14)17-7)6(4)16-10(5)13/h3,5-8H,2H2,1H3/t5-,6+,7+,8-/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C=C(Cl)Cl)C
InChI: InChI=1S/C14H14Cl2N2O3/c1-14(2)10(7-11(15)16)12(14)13(19)17-8-4-3-5-9(6-8)18(20)21/h3-7,10,12H,1-2H3,(H,17,19)/t10-,12-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N/N=C\3/C[C@@H]4[C@H]3CC=C4)N
InChI: InChI=1S/C19H19N3O2S/c1-24-13-7-5-11(6-8-13)17-10-15(20)18(25-17)19(23)22-21-16-9-12-3-2-4-14(12)16/h2-3,5-8,10,12,14H,4,9,20H2,1H3,(H,22,23)/b21-16-/t12-,14-/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@@H]([C@@H]1CC/C2=N/NC4=CC=C(C=C4)[N+](=O)[O-])CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C24H27N3O3/c1-24-13-12-20-19-9-7-18(28)14-15(19)2-8-21(20)22(24)10-11-23(24)26-25-16-3-5-17(6-4-16)27(29)30/h3-7,9,14,20-22,25,28H,2,8,10-13H2,1H3/b26-23-/t20-,21+,22+,24+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2/C(=N/O)/[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C9H11N3O6/c13-3-4-7(15)6(11-17)8(18-4)12-2-1-5(14)10-9(12)16/h1-2,4,7-8,13,15,17H,3H2,(H,10,14,16)/b11-6+/t4-,7-,8-/m1/s1
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C19H25NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)/p-1/t11-,12-/m1/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C(=C)C
InChI: InChI=1S/C33H54O2/c1-10-24(21(2)3)12-11-22(4)26-14-15-27-25-13-16-29-31(6,7)30(35-23(5)34)18-20-33(29,9)28(25)17-19-32(26,27)8/h13,22,24,26-30H,2,10-12,14-20H2,1,3-9H3/t22-,24+,26-,27+,28+,29+,30+,32-,33-/m1/s1
SMILES: CCCN1C2=C(C=C(C=C2)Br)[C@]3(C1=O)[C@@H](CC(=O)O3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H20BrNO4/c1-3-10-23-18-9-6-14(22)11-17(18)21(20(23)25)16(12-19(24)27-21)13-4-7-15(26-2)8-5-13/h4-9,11,16H,3,10,12H2,1-2H3/t16-,21-/m0/s1
SMILES: C1C=C(C[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br)Cl
InChI: InChI=1S/C21H16BrClN2O3/c22-13-3-6-15(7-4-13)24-19(26)12-1-8-16(9-2-12)25-20(27)17-10-5-14(23)11-18(17)21(25)28/h1-9,17-18H,10-11H2,(H,24,26)/t17-,18-/m0/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C(C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C36H48BN3O6/c1-23(2)31(37-45-30-21-26-20-29(35(26,3)4)36(30,5)46-37)39-32(41)28-17-12-18-40(28)33(42)27(19-24-13-8-6-9-14-24)38-34(43)44-22-25-15-10-7-11-16-25/h6-11,13-16,23,26-31H,12,17-22H2,1-5H3,(H,38,43)(H,39,41)/t26-,27+,28-,29-,30+,31?,36-/m0/s1
SMILES: C[C@]1([C@@H]2C[C@@H](C2(C)C)CC1=N[C@H](CC3=CC=C(C=C3)OC)C4=CC=CO4)O
InChI: InChI=1S/C23H29NO3/c1-22(2)16-13-20(22)23(3,25)21(14-16)24-18(19-6-5-11-27-19)12-15-7-9-17(26-4)10-8-15/h5-11,16,18,20,25H,12-14H2,1-4H3/t16-,18-,20-,23-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3NC2=O)NCC4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)Br)CO)O
InChI: InChI=1S/C24H23Br2N5O5/c25-15-6-14(7-16(26)21(15)35-11-13-4-2-1-3-5-13)9-27-22-20-23(29-12-28-22)31(24(34)30-20)19-8-17(33)18(10-32)36-19/h1-7,12,17-19,32-33H,8-11H2,(H,30,34)(H,27,28,29)/t17-,18+,19+/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]2C[C@@H]2C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O
InChI: InChI=1S/C33H55NO8/c1-9-10-11-18(3)31(42-33(34)40)22(7)29(37)19(4)14-24-15-26(24)20(5)28(36)17(2)12-13-25(35)16-27-21(6)30(38)23(8)32(39)41-27/h9-13,17-31,35-38H,1,14-16H2,2-8H3,(H2,34,40)/b11-10-,13-12-/t17-,18-,19-,20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30-,31-/m0/s1
SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)C(Cl)Cl)C(=O)NCC3=CC=CO3
InChI: InChI=1S/C16H15Cl2NO2/c17-15(18)14-12-6-2-1-4-10(12)8-13(14)16(20)19-9-11-5-3-7-21-11/h1-7,13-15H,8-9H2,(H,19,20)/t13-,14-/m1/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(CC=C)C5CCCC5
InChI: InChI=1S/C34H42F3N3O5/c1-3-17-39(27-10-4-5-11-27)20-29-22(2)30(24-15-13-23(21-41)14-16-24)45-32(44-29)25-8-6-9-26(19-25)38-31(42)28-12-7-18-40(28)33(43)34(35,36)37/h3,6,8-9,13-16,19,22,27-30,32,41H,1,4-5,7,10-12,17-18,20-21H2,2H3,(H,38,42)/t22-,28+,29+,30+,32+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C)ON2C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C33H30N2O5/c1-3-38-28-20-24(17-18-27(28)39-21-23-12-6-4-7-13-23)30-29-31(40-35(30)25-14-8-5-9-15-25)33(37)34(32(29)36)26-16-10-11-22(2)19-26/h4-20,29-31H,3,21H2,1-2H3/t29-,30-,31+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=C[C@H](O[C@H]1CO)N2C=C(C(=NC2=O)N)F
InChI: InChI=1S/C10H13N5O4.C9H10FN3O3/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-3,5,7,14H,4H2,(H2,11,12,15)/t6-,7+,8+;5-,7+/m01/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C20H21F3N2O6/c21-20(22,23)31-13-7-5-12(6-8-13)24-16(26)11-30-17(27)9-10-25-18(28)14-3-1-2-4-15(14)19(25)29/h5-8,14-15H,1-4,9-11H2,(H,24,26)/t14-,15+
SMILES: CC(=C)[C@H]1C[C@@]23CCCN2C(=O)[C@@]1(N=C3OC)CC4=CN(C5=C4C=CC6=C5OCC(C(O6)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C38H55N3O7Si/c1-23(2)26-20-37-17-14-18-41(37)32(42)38(26,39-31(37)44-11)19-24-21-40(33(43)47-34(3,4)5)29-25(24)15-16-27-30(29)45-22-28(36(9,10)46-27)48-49(12,13)35(6,7)8/h15-16,21,26,28H,1,14,17-20,22H2,2-13H3/t26-,28?,37-,38-/m1/s1
SMILES: CCCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=CC=C3
InChI: InChI=1S/C16H20N2O3S2/c1-2-6-15(19)17-16-18(9-12-7-4-3-5-8-12)13-10-23(20,21)11-14(13)22-16/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=CC=CC=C5N4)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
InChI: InChI=1S/C28H35FN4O2/c1-27-13-12-18-16(8-11-23-28(18,2)14-20(29)26(35)33(23)3)17(27)9-10-19(27)25(34)30-15-24-31-21-6-4-5-7-22(21)32-24/h4-7,14,16-19,23H,8-13,15H2,1-3H3,(H,30,34)(H,31,32)/t16?,17-,18?,19+,23+,27-,28+/m0/s1
SMILES: CCOC(=O)[C@]1([C@@H]([C@@H]2CCCCC2=C(C1=O)C#N)C3=CC=CC=C3)C#N
InChI: InChI=1S/C21H20N2O3/c1-2-26-20(25)21(13-23)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-22)19(21)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3/t16-,18-,21+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C#CC(=O)NN)COP(=O)(O)O)O)O
InChI: InChI=1S/C15H19N6O8P/c1-15(24)11(23)8(5-28-30(25,26)27)29-14(15)21-4-7(2-3-9(22)20-17)10-12(16)18-6-19-13(10)21/h4,6,8,11,14,23-24H,5,17H2,1H3,(H,20,22)(H2,16,18,19)(H2,25,26,27)/t8-,11-,14-,15-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@H](O5)C)CC(=C)C
InChI: InChI=1S/C29H43NO5/c1-17(2)12-30-13-20(6)35-25(14-30)34-16-28-11-22-19(5)7-8-23(22)27(15-31)10-21(28)9-24(18(3)4)29(27,28)26(32)33/h9,15,18-23,25H,1,7-8,10-14,16H2,2-6H3,(H,32,33)/t19-,20-,21+,22-,23-,25-,27+,28?,29+/m1/s1
SMILES: CNC(=O)[C@@]1(C[C@H]([C@H]([C@H](C1)OCC2=CC=CC=C2F)O)O)OCC3=CC=CC=C3F
InChI: InChI=1S/C22H25F2NO5/c1-25-21(28)22(30-13-15-7-3-5-9-17(15)24)10-18(26)20(27)19(11-22)29-12-14-6-2-4-8-16(14)23/h2-9,18-20,26-27H,10-13H2,1H3,(H,25,28)/t18-,19+,20-,22+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@H]2C(=O)C[C@]4([C@@H]3CC[C@]45[C@]6(COCO6)OCO5)C
InChI: InChI=1S/C23H32O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h14,16-17,19H,3-13H2,1-2H3/t14-,16-,17+,19-,20-,21-,22+,23-/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C4=CC(=C(C=C4)C)C
InChI: InChI=1S/C25H25NO4/c1-15-7-10-21-22(11-15)25(29)26(24(21)28)19-5-4-6-20(13-19)30-14-23(27)18-9-8-16(2)17(3)12-18/h4-9,12-13,21-22H,10-11,14H2,1-3H3/t21-,22+/m0/s1
SMILES: COC1=CC=CC(=C1)CCC(=O)C2=C(C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C22H26O9/c1-29-13-5-2-4-12(10-13)8-9-15(25)18-14(24)6-3-7-16(18)30-22-21(28)20(27)19(26)17(11-23)31-22/h2-7,10,17,19-24,26-28H,8-9,11H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)C(C)(C)Cl)O
InChI: InChI=1S/C15H22ClNO3S/c1-11-4-6-12(7-5-11)21(19,20)17-9-8-14(18)13(10-17)15(2,3)16/h4-7,13-14,18H,8-10H2,1-3H3/t13-,14+/m1/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2NC[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C16H19NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-20H,8-9H2/t13-,14-,15-,16-/m1/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)/C=N/OC(=O)C)C)O
InChI: InChI=1S/C30H33NO4/c1-4-14-30(34)15-13-27-25-11-9-22-16-23(33)10-12-24(22)28(25)26(17-29(27,30)3)21-7-5-20(6-8-21)18-31-35-19(2)32/h5-8,16,18,25-27,34H,9-13,15,17H2,1-3H3/b31-18+/t25-,26+,27-,29-,30-/m0/s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]([C@H]1CC(=O)O)(CCCC2(C)C)C)C
InChI: InChI=1S/C18H30O4/c1-12(19)22-18(5)10-7-13-16(2,3)8-6-9-17(13,4)14(18)11-15(20)21/h13-14H,6-11H2,1-5H3,(H,20,21)/t13-,14+,17-,18+/m0/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C#N)C2=CC=CC=C2OC
InChI: InChI=1S/C20H26N2O4/c1-4-5-12-22-18(23)11-10-16(20(24)26-14(2)13-21)19(22)15-8-6-7-9-17(15)25-3/h6-9,14,16,19H,4-5,10-12H2,1-3H3/t14-,16-,19-/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=C(N=CC=C1)Cl)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22ClN3O5/c1-10(23-17(25)12-6-3-4-7-13(12)18(23)26)19(27)28-11(2)16(24)22-14-8-5-9-21-15(14)20/h5,8-13H,3-4,6-7H2,1-2H3,(H,22,24)/t10-,11+,12-,13-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C14H23NO6/c1-7(16)15-9-10(8-6-17-13(2,3)19-8)18-12-11(9)20-14(4,5)21-12/h8-12H,6H2,1-5H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C1=O)CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H29N3O6Si/c1-22(2,3)32(4,5)31-18-17(27)15(13-26)30-20(18)25-12-11-16(24-21(25)29)23-19(28)14-9-7-6-8-10-14/h6-12,15,18,20,26H,13H2,1-5H3,(H,23,24,28,29)/t15-,18-,20-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9
InChI: InChI=1S/C46H38ClFN4O5/c1-25-22-27(23-26(2)41(25)53)40-35-20-21-36-39(44(56)51(42(36)54)34-18-16-32(17-19-34)49-31-6-4-3-5-7-31)37(35)24-38-43(55)52(50-33-14-12-30(48)13-15-33)45(57)46(38,40)28-8-10-29(47)11-9-28/h3-20,22-23,36-40,49-50,53H,21,24H2,1-2H3/t36-,37+,38-,39-,40-,46+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15+,16-,18+,19-,20-,21-/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(=C4)CNC(=O)C5=CN=CC=C5)CN6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C43H46N4O4/c1-31-40(29-47-23-21-46(22-24-47)28-32-7-3-2-4-8-32)50-43(51-41(31)36-14-12-33(30-48)13-15-36)37-18-16-35(17-19-37)38-10-5-9-34(25-38)26-45-42(49)39-11-6-20-44-27-39/h2-20,25,27,31,40-41,43,48H,21-24,26,28-30H2,1H3,(H,45,49)/t31-,40+,41+,43+/m1/s1
SMILES: [3H]C([3H])([3H])C(C)(CCO[C@@H](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)O
InChI: InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1/i3T3/t18-,21+,22+,23-,24-,25?,26+
SMILES: C[C@H]1C[C@@H]([C@@]2([C@]13CC([C@@]([C@]24COC4=O)(C)O)OC(=O)C3O)O)O
InChI: InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9?,12+,13+,14+,15-/m0/s1