EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CC=O)[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C31H45NO5Si/c1-23(20-21-33)27-26(32(31(8,9)36-27)28(34)37-29(2,3)4)22-35-38(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,21,23,26-27H,20,22H2,1-9H3/t23-,26-,27-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C
InChI: InChI=1S/C20H24N2O5/c1-12-6-5-9-16(13(12)2)21-17(23)11-27-18(24)10-22-19(25)14-7-3-4-8-15(14)20(22)26/h5-6,9,14-15H,3-4,7-8,10-11H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
SMILES: C[C@]12CCC[C@@]13[C@@H](C2)C(=O)O[C@@](O3)(C)C(C)(C)C
InChI: InChI=1S/C15H24O3/c1-12(2,3)14(5)17-11(16)10-9-13(4)7-6-8-15(10,13)18-14/h10H,6-9H2,1-5H3/t10-,13+,14+,15+/m0/s1
SMILES: C1CN2[C@@H]([C@H]1N)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F
InChI: InChI=1S/C18H16FN3O2/c19-13-4-2-1-3-11(13)10-5-6-15-12(9-10)18(24)22-8-7-14(20)16(22)17(23)21-15/h1-6,9,14,16H,7-8,20H2,(H,21,23)/t14-,16-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COC(=O)NS(=O)(=O)N)O
InChI: InChI=1S/C10H13IN4O8S/c11-4-2-15(9(18)13-8(4)17)7-1-5(16)6(23-7)3-22-10(19)14-24(12,20)21/h2,5-7,16H,1,3H2,(H,14,19)(H2,12,20,21)(H,13,17,18)/t5-,6+,7+/m0/s1
SMILES: C1[C@H]2[C@H](C=C2C3=CC=CC=C3)NC(=O)N1C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C20H18N2O3/c23-19-21-18-11-16(15-9-5-2-6-10-15)17(18)12-22(19)20(24)25-13-14-7-3-1-4-8-14/h1-11,17-18H,12-13H2,(H,21,23)/t17-,18+/m1/s1
SMILES: C1[C@@H]([C@]12[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[NH3+].[Cl-]
InChI: InChI=1S/C8H15NO5.ClH/c9-4-1-8(4)7(13)6(12)5(11)3(2-10)14-8;/h3-7,10-13H,1-2,9H2;1H/t3-,4+,5+,6+,7-,8+;/m1./s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=CC(=C6O)CC=C)C(=O)N(C5=O)C7=CC=C(C=C7)Br)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H34BrCl2N3O6/c1-3-5-22-6-4-7-30(37(22)49)36-28-17-18-29-35(40(52)47(38(29)50)26-13-10-24(43)11-14-26)31(28)21-32-39(51)48(46-34-19-12-25(44)20-33(34)45)41(53)42(32,36)23-8-15-27(54-2)16-9-23/h3-4,6-17,19-20,29,31-32,35-36,46,49H,1,5,18,21H2,2H3/t29-,31+,32-,35-,36+,42+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(C(=O)[C@@]3(N[NH+]2C)O)C4CCCCC4
InChI: InChI=1S/C19H27N3O2/c1-13-8-10-14(11-9-13)17-16-12-22(15-6-4-3-5-7-15)18(23)19(16,24)20-21(17)2/h8-11,15-17,20,24H,3-7,12H2,1-2H3/p+1/t16-,17-,19-/m0/s1
SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)N2[C@H]([C@@H](C[C@@]2(C3=CC=CC=N3)C(=O)O)C4=NC=CN=C4)C5=NC=CS5)OC
InChI: InChI=1S/C29H29N5O4S/c1-28(2,3)20-9-8-18(15-22(20)38-4)26(35)34-24(25-33-13-14-39-25)19(21-17-30-11-12-31-21)16-29(34,27(36)37)23-7-5-6-10-32-23/h5-15,17,19,24H,16H2,1-4H3,(H,36,37)/t19-,24+,29+/m0/s1
SMILES: CCCCC[C@@H](C=C[C@H]1[C@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H31N3O2/c1-29(2,3)35-28(34)32-26-19-25(26)27-20-33(21-31-27)30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,25-26H,19H2,1-3H3,(H,32,34)/t25-,26-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)[Se]C2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI: InChI=1S/C23H31NO8Se/c1-13(25)29-19-17(24-22(28)32-23(4,5)6)12-18(33-16-10-8-7-9-11-16)20(30-14(2)26)21(19)31-15(3)27/h7-11,17-21H,12H2,1-6H3,(H,24,28)/t17-,18-,19-,20+,21-/m0/s1
SMILES: CCOC1=CC=C(C=C1)SCC(=O)NNC(=S)N[C@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C19H29N3O2S2/c1-4-24-15-8-10-16(11-9-15)26-12-18(23)21-22-19(25)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,23)(H2,20,22,25)/t13-,14-,17-/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)C(F)(F)F)NC2=C1)C4=CC(=CC(=C4)F)F
InChI: InChI=1S/C17H13F5N4O/c1-7-2-11-13(12(27)3-7)14(8-4-9(18)6-10(19)5-8)26-16(23-11)24-15(25-26)17(20,21)22/h2,4-7,13-14H,3H2,1H3,(H,23,24,25)/t7-,13-,14-/m1/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]2CCCC[C@H]2C1)NC(=O)COC3=CC=CC=C3
InChI: InChI=1S/C22H32N2O3/c1-16(2)21(23-20(25)15-27-19-10-4-3-5-11-19)22(26)24-13-12-17-8-6-7-9-18(17)14-24/h3-5,10-11,16-18,21H,6-9,12-15H2,1-2H3,(H,23,25)/t17-,18+,21+/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)C4=CC=CC(=C4)CNS(=O)(=O)C5=CC=CC=C5)CSC6=NN=NN6C7=CC=CC=C7
InChI: InChI=1S/C39H37N5O5S2/c1-27-36(26-50-39-41-42-43-44(39)34-14-4-2-5-15-34)48-38(49-37(27)30-20-18-28(25-45)19-21-30)33-13-9-12-32(23-33)31-11-8-10-29(22-31)24-40-51(46,47)35-16-6-3-7-17-35/h2-23,27,36-38,40,45H,24-26H2,1H3/t27-,36+,37+,38+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)SC4=CC=CC=C4)CO)CO)O)CO)O)O
InChI: InChI=1S/C26H39NO15S/c1-10(31)27-15-18(34)16(32)12(7-28)38-24(15)42-23-17(33)13(8-29)39-25(21(23)37)41-22-14(9-30)40-26(20(36)19(22)35)43-11-5-3-2-4-6-11/h2-6,12-26,28-30,32-37H,7-9H2,1H3,(H,27,31)/t12-,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23+,24+,25+,26+/m1/s1
SMILES: CC(=O)O[C@H]1C=C[C@@]23[C@@H]4CC[C@@]5(C[C@]4(CC5=C)[C@H]([C@@H]2[C@]1(C(=O)O3)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C24H28O8/c1-12-10-22-11-23(12,31-14(3)26)8-6-15(22)24-9-7-16(30-13(2)25)21(4,20(28)32-24)18(24)17(22)19(27)29-5/h7,9,15-18H,1,6,8,10-11H2,2-5H3/t15-,16+,17-,18-,21+,22+,23+,24-/m1/s1
SMILES: CCCNC(=O)O[C@@H]1CC[C@@]2([C@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)NCC3=CC=CC=C3OC)O)C
InChI: InChI=1S/C27H42N2O6/c1-5-14-28-25(33)35-23-12-13-26(2)19(20(31)10-11-22(26)27(23,3)17-30)15-24(32)29-16-18-8-6-7-9-21(18)34-4/h6-9,19-20,22-23,30-31H,5,10-17H2,1-4H3,(H,28,33)(H,29,32)/t19-,20-,22-,23-,26+,27+/m1/s1
SMILES: C[C@@]12CC[C@]3(C1)[C@@H](C[C@H]([C@@H]4[C@@]3(CCC[C@]4(C)C(=O)O)C)OC(=O)C5=CC=CC=C5)C[C@@H]2O
InChI: InChI=1S/C27H36O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-21,28H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,20-,21-,24+,25-,26-,27-/m0/s1
SMILES: CCOC(=O)/C(=C/CC/C=C\[C@H]1[C@@H](O1)C[C@H](C)CC(=C)/C=C(\C)/[C@@H](C)CCOCC2=CC=CC=C2)/C
InChI: InChI=1S/C32H46O4/c1-7-35-32(33)27(5)14-10-8-13-17-30-31(36-30)22-25(3)20-24(2)21-28(6)26(4)18-19-34-23-29-15-11-9-12-16-29/h9,11-17,21,25-26,30-31H,2,7-8,10,18-20,22-23H2,1,3-6H3/b17-13-,27-14+,28-21+/t25-,26+,30+,31+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@@H]([C@H](C2=O)C(=O)OC)CC(=O)OC
InChI: InChI=1S/C17H21NO5/c1-11(12-7-5-4-6-8-12)18-10-13(9-14(19)22-2)15(16(18)20)17(21)23-3/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13-,15+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI: InChI=1S/C13H17F9O7/c14-10(15,11(16,17)12(18,19)13(20,21)22)1-4(23)2-28-3-5-6(24)7(25)8(26)9(27)29-5/h4-9,23-27H,1-3H2/t4?,5-,6+,7+,8-,9?/m1/s1
SMILES: COC1=C(C=CC(=C1)CC=C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C16H20O8/c1-3-4-8-5-6-9(10(7-8)22-2)23-16-13(19)11(17)12(18)14(24-16)15(20)21/h3,5-7,11-14,16-19H,1,4H2,2H3,(H,20,21)/t11-,12-,13+,14-,16-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2CN3C(=S)N=C(N3)C4=CC=CC=C4
InChI: InChI=1S/C18H24N4S/c23-18-19-17(15-8-2-1-3-9-15)20-22(18)13-21-12-6-10-14-7-4-5-11-16(14)21/h1-3,8-9,14,16H,4-7,10-13H2,(H,19,20,23)/t14-,16+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7
InChI: InChI=1S/C35H22BrClN2O6/c36-24-15-27(41)31-23(32(24)42)14-22-19(29(31)20-10-9-18(40)13-25(20)37)11-12-21-30(22)35(44)39(34(21)43)17-7-5-16(6-8-17)33-38-26-3-1-2-4-28(26)45-33/h1-11,13,15,21-22,29-30,40H,12,14H2/t21-,22+,29+,30-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC
InChI: InChI=1S/C16H24N2O4S/c1-12-7-4-5-10-15(12)17-16(19)13-8-6-9-14(11-13)23(20,21)18(2)22-3/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC=C8)[N+](=O)[O-])Cl)O
InChI: InChI=1S/C41H31ClN2O8/c1-52-33-18-23(17-32(42)38(33)47)36-27-15-16-28-35(40(49)43(39(28)48)25-13-8-14-26(19-25)44(50)51)30(27)20-31-37(46)29(22-9-4-2-5-10-22)21-34(45)41(31,36)24-11-6-3-7-12-24/h2-15,17-19,21,28,30-31,35-36,47H,16,20H2,1H3/t28-,30+,31-,35-,36-,41-/m0/s1
SMILES: C1C2=CC=CC=C2COP(=O)(O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP6(=O)OCC7=CC=CC=C7CO6)OP8(=O)OCC9=CC=CC=C9CO8)NC(=O)OCC1=CC=CC=C1
InChI: InChI=1S/C52H52NO16P3/c54-52(60-30-39-20-8-3-9-21-39)53-46-47(67-70(55)61-31-40-22-10-11-23-41(40)32-62-70)49(58-28-37-16-4-1-5-17-37)50(59-29-38-18-6-2-7-19-38)51(69-72(57)65-35-44-26-14-15-27-45(44)36-66-72)48(46)68-71(56)63-33-42-24-12-13-25-43(42)34-64-71/h1-27,46-51H,28-36H2,(H,53,54)/t46-,47-,48+,49-,50-,51-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]3C4=C(CS3(=O)=O)[C@H](C[C@@H](C4)O)O)C
InChI: InChI=1S/C27H44O5S/c1-17(7-5-11-26(2,3)30)22-9-10-23-18(8-6-12-27(22,23)4)13-25-20-14-19(28)15-24(29)21(20)16-33(25,31)32/h13,17,19,22-25,28-30H,5-12,14-16H2,1-4H3/b18-13+/t17-,19-,22-,23+,24+,25+,27-/m1/s1
SMILES: C[C@]12CC[C@@H]3C[C@@]1([C@@H](CC2)O)[C@]4(OC[C@@]3(O4)C)C
InChI: InChI=1S/C15H24O3/c1-12-6-4-10-8-15(12,11(16)5-7-12)14(3)17-9-13(10,2)18-14/h10-11,16H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15+/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)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=C(C=CC=N6)C(=O)O
InChI: InChI=1S/C39H38F3N3O7S/c1-23-32(22-53-35-30(36(48)49)7-3-17-43-35)51-37(52-33(23)27-11-9-24(21-46)10-12-27)28-15-13-26(14-16-28)29-6-2-5-25(19-29)20-44-34(47)31-8-4-18-45(31)38(50)39(40,41)42/h2-3,5-7,9-17,19,23,31-33,37,46H,4,8,18,20-22H2,1H3,(H,44,47)(H,48,49)/t23-,31-,32+,33+,37+/m0/s1
SMILES: C1CCC2=C(CC1)N(C(=S)C(=C2)C#N)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H22N2O5S/c18-7-10-6-9-4-2-1-3-5-11(9)19(17(10)25)16-15(23)14(22)13(21)12(8-20)24-16/h6,12-16,20-23H,1-5,8H2/t12-,13+,14+,15-,16-/m1/s1
SMILES: CC(C)[NH+]1CC=C2[C@H](C1)[C@@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C21H20ClN5/c1-13(2)27-8-7-17-16(10-27)19(14-5-3-4-6-18(14)22)15(9-23)20(26)21(17,11-24)12-25/h3-7,13,15-16,19,26H,8,10H2,1-2H3/p+1/t15-,16+,19-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)NC(=O)C)C)C
InChI: InChI=1S/C29H49NO/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3,(H,30,31)/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@@H]2C1)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4
InChI: InChI=1S/C22H33N3O2/c26-22(17-25-10-9-19-3-1-2-4-20(19)16-25)23-21-7-5-18(6-8-21)15-24-11-13-27-14-12-24/h5-8,19-20H,1-4,9-17H2,(H,23,26)/p+2/t19-,20+/m0/s1
SMILES: CC(=O)[C@@H]1C[C@@]23CC[C@@]1([C@H]4[C@]25CC[NH+]([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC
InChI: InChI=1S/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-6,15,17,20H,7-12H2,1-4H3/p+1/t15-,17+,20+,21+,22+,23+/m0/s1
SMILES: CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@]2(CC3=C([C@H]([C@@H]2[C@H]1O)C)N=C(S3)NC4=C(C=CC=C4Cl)Cl)C
InChI: InChI=1S/C26H35Cl2N3O2S/c1-6-31(7-2)24(33)14(3)16-11-12-26(5)13-19-21(15(4)20(26)23(16)32)29-25(34-19)30-22-17(27)9-8-10-18(22)28/h8-10,14-16,20,23,32H,6-7,11-13H2,1-5H3,(H,29,30)/t14-,15-,16-,20+,23-,26-/m0/s1
SMILES: CCOC(C)OCCCCC(=O)C[C@@H]1CCO[C@@]2(O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C
InChI: InChI=1S/C25H42O10/c1-7-27-16(2)28-12-9-8-10-17(26)14-18-11-13-29-25(32-18)20(19-15-30-23(3,4)33-19)31-22-21(25)34-24(5,6)35-22/h16,18-22H,7-15H2,1-6H3/t16?,18-,19+,20+,21-,22+,25+/m0/s1
SMILES: CCCC[C@@H]([C@@H](C[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\Br)C)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC)C(=C)COC(=O)C(C)(C)C
InChI: InChI=1S/C38H54BrF3O5/c1-9-10-18-29(26(3)24-46-33(43)35(4,5)6)32(22-25(2)30-19-20-31-27(23-39)15-14-21-36(30,31)7)47-34(44)37(45-8,38(40,41)42)28-16-12-11-13-17-28/h11-13,16-17,23,25,29-32H,3,9-10,14-15,18-22,24H2,1-2,4-8H3/b27-23+/t25-,29-,30-,31+,32-,36-,37+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]1(N(CC4=CC=CC=C4C3(C)C)C(=O)O2)C
InChI: InChI=1S/C18H23NO2/c1-16(2)13-8-6-5-7-12(13)11-19-15(20)21-17(3)10-9-14(16)18(17,19)4/h5-8,14H,9-11H2,1-4H3/t14-,17-,18+/m0/s1
SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18+,19+,20-,21+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H](OC1=O)CO[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI: InChI=1S/C22H35NO5Si/c1-21(2,3)28-20(25)23-17(14-16-12-10-9-11-13-16)18(27-19(23)24)15-26-29(7,8)22(4,5)6/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN4C[C@@]5(C[C@](C4)(CN(C5)C)C)C)C
InChI: InChI=1S/C25H40N2O2/c1-17-7-6-8-25(4)10-21-18(9-20(17)25)19(22(28)29-21)11-27-15-23(2)12-24(3,16-27)14-26(5)13-23/h9,17-19,21H,6-8,10-16H2,1-5H3/t17-,18-,19+,21-,23-,24+,25-/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NNC(=O)C3=CC=CC=C3Cl)C(=O)O
InChI: InChI=1S/C16H15ClN2O4/c17-11-4-2-1-3-10(11)14(20)18-19-15(21)12-8-5-6-9(7-8)13(12)16(22)23/h1-6,8-9,12-13H,7H2,(H,18,20)(H,19,21)(H,22,23)/t8-,9+,12-,13+/m1/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC(=CC=C6)Cl)C(=O)N2
InChI: InChI=1S/C26H20ClN3O4/c27-15-4-3-5-16(13-15)30-23(32)21-20(12-14-8-10-17(31)11-9-14)29-26(22(21)24(30)33)18-6-1-2-7-19(18)28-25(26)34/h1-11,13,20-22,29,31H,12H2,(H,28,34)/p+1/t20-,21+,22-,26-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC=C(C)C)C3=CC=CC=C3Br
InChI: InChI=1S/C22H32BrNO/c1-15(2)12-13-24-21(17-8-6-7-9-19(17)23)25-20-14-16(3)10-11-18(20)22(24,4)5/h6-9,12,16,18,20-21H,10-11,13-14H2,1-5H3/t16-,18-,20-,21+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC1=CC2=C(C(=C1)O[Si](C(C)C)(C(C)C)C(C)C)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O)O)OC2
InChI: InChI=1S/C37H70O8Si3/c1-22(2)47(23(3)4,24(5)6)44-29-18-28-20-41-37(32(28)30(19-29)45-48(25(7)8,26(9)10)27(11)12)35(40)34(39)33(38)31(43-37)21-42-46(16,17)36(13,14)15/h18-19,22-27,31,33-35,38-40H,20-21H2,1-17H3/t31-,33-,34+,35-,37+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@H]([C@@H]([C@H]1OCOC)C)OC)CC/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C\CC[C@H]([C@H](C)[C@H](C(C)C)OC(=O)N)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C47H73NO10/c1-31(2)43(58-47(48)49)34(5)41(54-28-37-20-24-39(51-9)25-21-37)18-14-12-16-32(3)44(55-29-38-22-26-40(52-10)27-23-38)33(4)17-13-15-19-42-35(6)45(56-30-50-8)36(7)46(53-11)57-42/h12-13,16-17,20-27,31-36,41-46H,14-15,18-19,28-30H2,1-11H3,(H2,48,49)/b16-12-,17-13-/t32-,33-,34-,35+,36+,41+,42-,43-,44+,45-,46+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=C(O3)C=C(C=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C23H20O4/c1-24-16-7-10-19-21(11-16)26-14-20-18-9-8-17(12-22(18)27-23(19)20)25-13-15-5-3-2-4-6-15/h2-12,20,23H,13-14H2,1H3/t20-,23-/m1/s1
SMILES: CCOP(=O)(CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)OCC
InChI: InChI=1S/C15H23N2O9P/c1-3-24-27(22,25-4-2)9-14(20)23-8-11-10(18)7-13(26-11)17-6-5-12(19)16-15(17)21/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3,(H,16,19,21)/t10-,11+,13+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C(C)(C)C)O
InChI: InChI=1S/C39H39ClN4O5S/c1-18-9-8-10-23(32(18)45)31-21-12-13-22-30(36(48)44(34(22)46)38(3,4)5)25(21)16-26-35(47)43(37(49)39(26,31)6)29-17-27(41-42(29)7)33-19(2)24-15-20(40)11-14-28(24)50-33/h8-12,14-15,17,22,25-26,30-31,45H,13,16H2,1-7H3/t22-,25+,26-,30-,31+,39+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@]13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C44H43NO11/c1-26-24-32(52-38(47)28-16-9-6-10-17-28)35(54-39(48)29-18-11-7-12-19-29)43(5)37(55-40(49)30-20-13-8-14-21-30)34(53-41(50)31-22-15-23-45-25-31)33-36(51-27(2)46)44(26,43)56-42(33,3)4/h6-23,25-26,32-37H,24H2,1-5H3/t26-,32+,33-,34-,35+,36-,37-,43+,44-/m1/s1
SMILES: CC(C)[C@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5C[NH+]([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C
InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/p+1/t23-,27-,28+,29+,34+,35+/m1/s1
SMILES: CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1
SMILES: CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CC(CCCCCCCCCCC)O)O)CO)OP(=O)(O)O
InChI: InChI=1S/C51H100NO11P/c1-4-7-10-13-16-19-21-22-23-24-27-29-32-35-38-43(37-34-31-28-26-20-17-14-11-8-5-2)40-47(56)62-50-48(51(57)61-45(42-53)49(50)63-64(58,59)60)52-46(55)41-44(54)39-36-33-30-25-18-15-12-9-6-3/h43-45,48-51,53-54,57H,4-42H2,1-3H3,(H,52,55)(H2,58,59,60)/t43?,44?,45-,48-,49-,50-,51?/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC(=O)N
InChI: InChI=1S/C19H21FN4O4/c1-3-8(2)24-16(26)14-12(7-13(21)25)23-19(15(14)17(24)27)10-6-9(20)4-5-11(10)22-18(19)28/h4-6,8,12,14-15,23H,3,7H2,1-2H3,(H2,21,25)(H,22,28)/p+1/t8-,12-,14+,15-,19+/m0/s1
SMILES: CCCCC/C=C\C[C@H]1C=CC(=O)[C@@H]1C/C=C\[C@@H]2CCC(=O)O2
InChI: InChI=1S/C20H28O3/c1-2-3-4-5-6-7-9-16-12-14-19(21)18(16)11-8-10-17-13-15-20(22)23-17/h6-8,10,12,14,16-18H,2-5,9,11,13,15H2,1H3/b7-6-,10-8-/t16-,17+,18+/m0/s1
SMILES: C1CCN(CC1)C2=NC=NC3=C2N=CN3[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O
InChI: InChI=1S/C15H21N5O4/c21-6-9-11(22)12(23)15(24-9)20-8-18-10-13(16-7-17-14(10)20)19-4-2-1-3-5-19/h7-9,11-12,15,21-23H,1-6H2/t9-,11+,12-,15+/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=CC=CC=C7
InChI: InChI=1S/C45H42N2O5S/c1-31-42(30-53-41-16-6-3-7-17-41)51-44(52-43(31)34-20-18-32(29-48)19-21-34)37-13-9-12-36(27-37)35-11-8-10-33(26-35)28-46-45(49)47-38-22-24-40(25-23-38)50-39-14-4-2-5-15-39/h2-27,31,42-44,48H,28-30H2,1H3,(H2,46,47,49)/t31-,42+,43+,44+/m1/s1
SMILES: CC(C)(C)OC(=O)NC[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H](C2=C(C=CC(=C2)C3=CC(=C(C=C3)O)C[C@@H](C(=O)N1)NC(=O)OC(C)(C)C)O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)OC)O
InChI: InChI=1S/C43H63N9O15/c1-42(2,3)66-40(63)47-19-24(54)18-28-36(60)52-32(37(61)48-26(9-8-14-46-39(44)45)34(58)50-29(20-53)38(62)65-7)33(57)25-16-22(11-13-31(25)56)21-10-12-30(55)23(15-21)17-27(35(59)49-28)51-41(64)67-43(4,5)6/h10-13,15-16,24,26-29,32-33,53-57H,8-9,14,17-20H2,1-7H3,(H,47,63)(H,48,61)(H,49,59)(H,50,58)(H,51,64)(H,52,60)(H4,44,45,46)/t24-,26+,27+,28+,29+,32+,33-/m1/s1
SMILES: C[C@H]1CC[C@@H](O[C@@H]1COS(=O)(=O)C)[C@H](C)CCCOC(=O)C
InChI: InChI=1S/C15H28O6S/c1-11(6-5-9-19-13(3)16)14-8-7-12(2)15(21-14)10-20-22(4,17)18/h11-12,14-15H,5-10H2,1-4H3/t11-,12+,14-,15-/m1/s1
SMILES: CC(=O)NCC1=CC=C(C=C1)C2=CSC3=N[C@@H]4CCCC[C@@H]4N23
InChI: InChI=1S/C18H21N3OS/c1-12(22)19-10-13-6-8-14(9-7-13)17-11-23-18-20-15-4-2-3-5-16(15)21(17)18/h6-9,11,15-16H,2-5,10H2,1H3,(H,19,22)/t15-,16+/m1/s1
SMILES: CO[C@@H]1[C@]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)CC=C)(CCCC=C)O
InChI: InChI=1S/C22H30O5/c1-4-6-10-14-22(23)17(11-5-2)19-18(26-21(22)24-3)15-25-20(27-19)16-12-8-7-9-13-16/h4-5,7-9,12-13,17-21,23H,1-2,6,10-11,14-15H2,3H3/t17-,18+,19-,20+,21-,22+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCOCC2)C(C)C)CCCO
InChI: InChI=1S/C18H31NO5/c1-4-23-18-14(6-5-9-20)15(13(2)3)12-16(24-18)17(21)19-7-10-22-11-8-19/h12-15,18,20H,4-11H2,1-3H3/t14-,15+,18+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)[C@@H]3[C@@H](O3)C4=CC=CC=C24
InChI: InChI=1S/C14H16O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-14/h1,3,5,7,10,12-14H,2,4,6,8H2/t10-,12+,13-,14+/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](O2)CC[C@]3([C@@H](O3)C[C@@]4([C@@H]1[C@@H](CC4)C(C)(C)OC(=O)C)C)C)C
InChI: InChI=1S/C24H38O6/c1-14(25)27-17-12-24(7)18(29-24)9-11-23(6)19(30-23)13-22(5)10-8-16(20(17)22)21(3,4)28-15(2)26/h16-20H,8-13H2,1-7H3/t16-,17-,18+,19+,20-,22-,23+,24+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)[C@]5(C=C1)C6=CC=CC=C6N(C5=O)CC7=CC=CC=C7
InChI: InChI=1S/C40H42N2O3Si/c1-38(2,3)46(4,5)45-31-24-25-39(32-20-12-14-22-34(32)41(36(39)43)27-29-16-8-6-9-17-29)40(26-31)33-21-13-15-23-35(33)42(37(40)44)28-30-18-10-7-11-19-30/h6-25,31H,26-28H2,1-5H3/t31-,39+,40-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@@H](C2)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C23H29NO3/c1-24-17-8-11-20(24)23(16-7-12-21(26-3)22(13-16)27-4)19(14-17)15-5-9-18(25-2)10-6-15/h5-7,9-10,12-13,17,19-20,23H,8,11,14H2,1-4H3/t17-,19-,20+,23+/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)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C44H44N2O8S/c1-28-39(27-55-37-21-19-34(20-22-37)41(48)49)53-43(54-40(28)33-13-11-30(26-47)12-14-33)35-17-15-32(16-18-35)36-10-6-9-31(23-36)25-45-44(51)46-38(42(50)52-2)24-29-7-4-3-5-8-29/h3-23,28,38-40,43,47H,24-27H2,1-2H3,(H,48,49)(H2,45,46,51)/t28-,38-,39+,40+,43+/m0/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C25H32N2O4/c1-4-5-16-27-23(28)15-14-22(24(27)19-8-12-21(31-3)13-9-19)25(29)26-17-18-6-10-20(30-2)11-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,26,29)/t22-,24+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@]23[C@H]1CC[C@@]4([C@H]3O4)C)C[N+](C)(C)C
InChI: InChI=1S/C18H30NO3/c1-11-6-7-14-12(10-19(3,4)5)15(20)21-18(14)13(11)8-9-17(2)16(18)22-17/h11-14,16H,6-10H2,1-5H3/q+1/t11-,12+,13+,14+,16-,17-,18-/m1/s1
SMILES: CO/C=C/[C@H]1[C@@H](C(=C(OC1(OC)OC)C2=CC=CC=C2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C23H23NO4/c1-25-15-14-20-21(17-10-6-4-7-11-17)19(16-24)22(18-12-8-5-9-13-18)28-23(20,26-2)27-3/h4-15,20-21H,1-3H3/b15-14+/t20-,21+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)C3=CC=CO3)NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C19H18N4O5/c24-18(15-4-2-8-26-15)21-12-9-27-17-13(10-28-16(12)17)23-19-20-6-5-11(22-19)14-3-1-7-25-14/h1-8,12-13,16-17H,9-10H2,(H,21,24)(H,20,22,23)/t12-,13-,16+,17+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)/C(=C/C2=CC=CC=C2)/C#N)C(C)C
InChI: InChI=1S/C22H27NO4/c1-15(2)19-10-9-16(3)11-20(19)27-21(24)14-26-22(25)18(13-23)12-17-7-5-4-6-8-17/h4-8,12,15-16,19-20H,9-11,14H2,1-3H3/b18-12+/t16-,19+,20+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](OC1O)[C@H]([C@H](C)/C=C/C=O)OCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H38O5Si/c1-17(12-11-15-25)20(27-16-19-13-9-8-10-14-19)22-21(18(2)23(26)28-22)29-30(6,7)24(3,4)5/h8-15,17-18,20-23,26H,16H2,1-7H3/b12-11+/t17-,18-,20+,21-,22+,23?/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)Br)O)C
InChI: InChI=1S/C8H13O4.2C6H5.BrH.Sn/c1-4-5(9)6-7(10-4)12-8(2,3)11-6;2*1-2-4-6-5-3-1;;/h4-7,9H,1H2,2-3H3;2*1-5H;1H;/q;;;;+1/p-1/t4-,5+,6-,7-;;;;/m1..../s1
SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C)OC
InChI: InChI=1S/C29H28N4O3/c1-29-27(35-4)20(31(2)3)13-21(36-29)32-18-11-7-5-9-15(18)23-24-17(14-30-28(24)34)22-16-10-6-8-12-19(16)33(29)26(22)25(23)32/h5-12,20-21,27H,13-14H2,1-4H3,(H,30,34)/t20-,21-,27-,29+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)SC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C29H38Cl3NO8S2Si/c1-18-13-15-21(16-14-18)43(35,36)37-17-22-23(38-19(2)34)24(41-44(6,7)28(3,4)5)25(42-20-11-9-8-10-12-20)26(39-22)40-27(33)29(30,31)32/h8-16,22-26,33H,17H2,1-7H3/t22-,23-,24+,25-,26-/m1/s1
SMILES: C1CC1C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@@H]3S2)C4=CC=CC=C4Cl
InChI: InChI=1S/C15H15ClN2O3S2/c16-10-3-1-2-4-11(10)18-12-7-23(20,21)8-13(12)22-15(18)17-14(19)9-5-6-9/h1-4,9,12-13H,5-8H2/t12-,13+/m1/s1
SMILES: COC(=O)CCCC[C@@H]1[C@H]([C@H](CS1)NC(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C17H23NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-8,13-14,16,20H,5-6,9-11H2,1H3,(H,18,21)/t13-,14+,16-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C
InChI: InChI=1S/C20H27N3O3S2/c1-11-6-5-7-15(12(11)2)23-16(24)8-26-17(25)9-27-19-18-13(3)14(4)28-20(18)22-10-21-19/h10-12,15H,5-9H2,1-4H3,(H,23,24)/t11-,12-,15-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC2=C(C=CC(=C2)F)F
InChI: InChI=1S/C17H21F2NO3S/c1-11-4-2-3-5-14(11)20-16(21)9-23-17(22)10-24-15-8-12(18)6-7-13(15)19/h6-8,11,14H,2-5,9-10H2,1H3,(H,20,21)/t11-,14+/m1/s1