EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)O)C
InChI: InChI=1S/C33H43Cl2NO5/c1-31-12-9-25(37)20-23(31)5-8-26-27(31)10-13-32(2)28(26)11-14-33(32,40)29(38)21-41-30(39)19-22-3-6-24(7-4-22)36(17-15-34)18-16-35/h3-4,6-7,20,26-28,40H,5,8-19,21H2,1-2H3/t26-,27+,28+,31+,32+,33+/m1/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@H]2[C@@H](OC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)O)O)O)O)O)O)C(=O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
InChI: InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)54-7-18(41)27(55-32(51)9-3-14(37)22(43)15(38)4-9)28-29(30(48)49)57-34(53)11-6-17(40)24(45)26(47)20(11)19-10(33(52)56-28)5-16(39)23(44)25(19)46/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28+,29-/m1/s1
SMILES: C[C@H](CCCN1C=C(N=N1)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C
InChI: InChI=1S/C37H52F2N6O4/c1-22(27-8-9-29-34-30(16-33(48)36(27,29)3)35(2)11-10-26(46)13-23(35)14-32(34)47)5-4-12-44-18-25(42-43-44)17-37(49,19-45-21-40-20-41-45)28-7-6-24(38)15-31(28)39/h6-7,15,18,20-23,26-27,29-30,32-34,46-49H,4-5,8-14,16-17,19H2,1-3H3/t22-,23+,26-,27-,29+,30+,32-,33+,34+,35+,36-,37?/m1/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@@H]([C@]4(CC[C@H]5[C@H](C5(C)C)/C=C(/C2=O)\C)CO4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H38O8/c1-17-14-23-22(29(23,5)6)12-13-30(16-36-30)27(37-19(3)32)24-25(38-28(35)21-10-8-7-9-11-21)18(2)15-31(24,26(17)34)39-20(4)33/h7-11,14,18,22-25,27H,12-13,15-16H2,1-6H3/b17-14+/t18-,22-,23+,24+,25-,27-,30-,31+/m0/s1
SMILES: C[C@@H]1[C@H](C2([C@H]([C@](C3[C@@H](O2)CC4[C@@]3(CCC5C4C[C@@H]6C7([C@@]5(C(=O)CC[C@@H]7O)C)O6)C)(C)O)O)OC1=O)C
InChI: InChI=1S/C28H40O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h12-17,19-21,23,30,32-33H,6-11H2,1-5H3/t12-,13-,14?,15?,16?,17+,19+,20-,21?,23+,24+,25+,26-,27?,28?/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@]([C@]3(C(=O)C(O[C@]3([C@]2([C@]45[C@H](O4)C(=O)O[C@H]([C@@]5([C@@H]1O)C)C6=COC=C6)C)O)(C)C)O)(C)/C=C\C(=O)OC
InChI: InChI=1S/C29H34O13/c1-13(30)39-16-17-24(4,10-8-15(31)37-7)27(35)22(34)23(2,3)42-29(27,36)26(17,6)28-20(41-28)21(33)40-19(14-9-11-38-12-14)25(28,5)18(16)32/h8-12,16-20,32,35-36H,1-7H3/b10-8-/t16-,17-,18-,19+,20-,24-,25+,26-,27+,28-,29+/m1/s1
SMILES: CC1=CC(=O)[C@@]2(O1)[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C)Br
InChI: InChI=1S/C23H27BrO3/c1-13-10-21(25)23(27-13)20(24)12-19-18-6-4-14-11-15(26-3)5-7-16(14)17(18)8-9-22(19,23)2/h5,7,10-11,17-20H,4,6,8-9,12H2,1-3H3/t17-,18-,19+,20+,22+,23+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CN=[N+]=[N-])O
InChI: InChI=1S/C9H12N6O3/c10-7-1-2-15(9(17)13-7)8-3-5(16)6(18-8)4-12-14-11/h1-2,5-6,8,16H,3-4H2,(H2,10,13,17)/t5-,6+,8+/m0/s1
SMILES: CC1(O[C@@H]2CC=C3[C@@]2(O1)[C@H]4C#C[C@@H](/C(=C/CNC(=O)CCC5=C(C(=C(C=C5)OC)O4)Cl)/C#C3)O)C
InChI: InChI=1S/C27H26ClNO6/c1-26(2)34-22-11-8-18-7-4-16-14-15-29-23(31)13-6-17-5-10-20(32-3)25(24(17)28)33-21(12-9-19(16)30)27(18,22)35-26/h5,8,10,14,19,21-22,30H,6,11,13,15H2,1-3H3,(H,29,31)/b16-14+/t19-,21+,22+,27+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CN=[N+]=[N-])O[C@@H]3C=C[C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C28H33N3O7/c1-28(2)37-26-25(22(15-30-31-29)35-27(26)38-28)36-24-14-13-21(33-17-20-11-7-4-8-12-20)23(34-24)18-32-16-19-9-5-3-6-10-19/h3-14,21-27H,15-18H2,1-2H3/t21-,22+,23+,24+,25-,26+,27+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)CCCOC4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C23H26Cl2N2O2/c1-15-5-7-20-17(12-15)18-14-26(2)10-9-21(18)27(20)23(28)4-3-11-29-22-8-6-16(24)13-19(22)25/h5-8,12-13,18,21H,3-4,9-11,14H2,1-2H3/t18-,21-/m0/s1
SMILES: C[C@@]1(CC[C@]2([C@H](C1)CC[C@H]3C2=CC[C@H](C3(C)C)O)C)C=C
InChI: InChI=1S/C20H32O/c1-6-19(4)11-12-20(5)14(13-19)7-8-15-16(20)9-10-17(21)18(15,2)3/h6,9,14-15,17,21H,1,7-8,10-13H2,2-5H3/t14-,15-,17+,19-,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C17H23NO4/c1-11-6-5-8-14(12(11)2)18-16(20)10-22-17(21)13-7-3-4-9-15(13)19/h3-4,7,9,11-12,14,19H,5-6,8,10H2,1-2H3,(H,18,20)/t11-,12+,14+/m0/s1
SMILES: CC(=O)O[C@H]1C2=C([C@@H]3[C@]1(C=CC4(C3)OCCO4)C)[C@H](C(C2)(C)C)OCC5=CC=CC=C5
InChI: InChI=1S/C26H32O5/c1-17(27)31-22-19-14-24(2,3)23(28-16-18-8-6-5-7-9-18)21(19)20-15-26(29-12-13-30-26)11-10-25(20,22)4/h5-11,20,22-23H,12-16H2,1-4H3/t20-,22+,23-,25-/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@@H]3[C@H]5CC[C@H]4C5)C6=CC=CC=C6
InChI: InChI=1S/C29H30N2O/c1-2-18-8-6-7-11-24(18)31-29(32)22-14-15-25-23(17-22)26-20-12-13-21(16-20)27(26)28(30-25)19-9-4-3-5-10-19/h3-11,14-15,17,20-21,26-28,30H,2,12-13,16H2,1H3,(H,31,32)/t20-,21-,26+,27-,28-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@]2([C@H]1C(=O)C(=C(C2=O)C)OC)C)O
InChI: InChI=1S/C14H20O4/c1-7-5-6-9(15)14(3)10(7)11(16)12(18-4)8(2)13(14)17/h7,9-10,15H,5-6H2,1-4H3/t7-,9+,10-,14+/m1/s1
SMILES: CC(=CCC[C@]1([C@@H]2CCC(=C)[C@H]([C@]2(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C)CCC(=O)OC)C)C
InChI: InChI=1S/C29H52O3Si/c1-21(2)13-12-19-29(8)24-16-14-22(3)23(15-17-26(30)31-9)28(24,7)20-18-25(29)32-33(10,11)27(4,5)6/h13,23-25H,3,12,14-20H2,1-2,4-11H3/t23-,24-,25+,28-,29+/m1/s1
SMILES: CC(C)C[C@@H]1[C@H]2[C@@H](C(=O)N(C2=O)C(C)C)[C@@]3(N1)C4=CC=CC=C4N(C3=O)C
InChI: InChI=1S/C21H27N3O3/c1-11(2)10-14-16-17(19(26)24(12(3)4)18(16)25)21(22-14)13-8-6-7-9-15(13)23(5)20(21)27/h6-9,11-12,14,16-17,22H,10H2,1-5H3/t14-,16+,17+,21+/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)[C@@H](C)C(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C25H40N4O2/c1-5-21-10-6-7-11-23(21)26-24(30)17-28-13-15-29(16-14-28)20(4)25(31)27-22-12-8-9-18(2)19(22)3/h6-7,10-11,18-20,22H,5,8-9,12-17H2,1-4H3,(H,26,30)(H,27,31)/t18-,19-,20-,22-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN4C5=CC=CC=C5N=N4)[C@@]6(C2=O)[C@H]([C@@H]7C(=O)O[C@H]([C@H](N7[C@H]6C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1)C(=O)N1CCCCCCC1
InChI: InChI=1S/C58H53N7O6/c1-38(40-20-8-5-9-21-40)59-57(70)64-47-33-28-39(19-18-36-63-48-27-15-14-26-46(48)60-61-63)37-45(47)58(56(64)69)49(54(67)62-34-16-3-2-4-17-35-62)51-55(68)71-52(42-24-12-7-13-25-42)50(41-22-10-6-11-23-41)65(51)53(58)43-29-31-44(66)32-30-43/h5-15,20-33,37-38,49-53,66H,2-4,16-17,34-36H2,1H3,(H,59,70)/t38-,49-,50-,51-,52+,53+,58-/m1/s1
SMILES: CC(=O)N([C@@H]1[C@H]([C@@H]([C@H](OP1(=O)OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H40NO8P/c1-28(38)37(44-26-32-21-13-6-14-22-32)36-35(43-25-31-19-11-5-12-20-31)34(42-24-30-17-9-4-10-18-30)33(45-46(36,39)40-2)27-41-23-29-15-7-3-8-16-29/h3-22,33-36H,23-27H2,1-2H3/t33-,34-,35+,36+,46?/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)I)OC(O5)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C43H48IN3O10/c1-41(2,3)54-33(49)20-19-30(25-48)45-38(50)31-18-11-21-46(31)40(52)42-23-32-34-35(56-43(55-34,27-13-6-4-7-14-27)28-15-8-5-9-16-28)37(42)57-47(36(42)39(51)53-32)24-26-12-10-17-29(44)22-26/h4-10,12-17,22,30-32,34-37,48H,11,18-21,23-25H2,1-3H3,(H,45,50)/t30-,31+,32+,34-,35-,36-,37+,42-/m0/s1
SMILES: CC1=CC2=C(C[C@H]3[C@H](O2)CC[C@@H]4[C@@]3(CCCC4(C)C)C)C(=C1C(=O)O)O
InChI: InChI=1S/C22H30O4/c1-12-10-16-13(19(23)18(12)20(24)25)11-14-15(26-16)6-7-17-21(2,3)8-5-9-22(14,17)4/h10,14-15,17,23H,5-9,11H2,1-4H3,(H,24,25)/t14-,15+,17-,22+/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C(=O)O
InChI: InChI=1S/C18H17N3O4S/c22-15(21-18-19-9-10-26-18)11-5-7-12(8-6-11)20-16(23)13-3-1-2-4-14(13)17(24)25/h1-2,5-10,13-14H,3-4H2,(H,20,23)(H,24,25)(H,19,21,22)/t13-,14-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H69NO11/c1-14-27-38(11,43)32(41)23(6)30-20(3)17-37(10,50-30)33(49-35-29(40)26(39(12)15-2)16-21(4)46-35)24(7)31(25(8)34(42)47-27)48-28-19-36(9,44-13)18-22(5)45-28/h20-33,35,40-41,43H,14-19H2,1-13H3/t20-,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32-,33-,35+,36+,37-,38-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC8=CC=CC=C8C=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C65H84N2O8/c1-6-8-9-10-11-12-13-14-15-24-41-71-63(70)67(46-51-31-25-30-48-27-18-19-32-54(48)51)60-45-58(66-75-64(3,4)5)56-43-50(29-20-22-38-68)55(33-21-23-39-69)61-57-44-53(73-52-35-34-47-26-16-17-28-49(47)42-52)36-37-59(57)74-65(60,62(56)61)72-40-7-2/h7,16-19,25-28,30-32,34-37,42-44,50,55,60-62,68-69H,2,6,8-15,20-24,29,33,38-41,45-46H2,1,3-5H3/t50-,55+,60-,61+,62+,65+/m0/s1
SMILES: C(CI)[C@]1([C@@](OC(O1)(C(F)(F)F)C(F)(F)F)(CCI)F)F
InChI: InChI=1S/C9H8F8I2O2/c10-5(1-3-18)6(11,2-4-19)21-7(20-5,8(12,13)14)9(15,16)17/h1-4H2/t5-,6-/m0/s1
SMILES: CCCCNC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI: InChI=1S/C14H23N3O4/c1-2-3-4-15-11-7-17(14(21)16-13(11)20)10-5-9(8-18)12(19)6-10/h7,9-10,12,15,18-19H,2-6,8H2,1H3,(H,16,20,21)/t9-,10-,12+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI: InChI=1S/C21H20Cl2N2O4/c22-16-10-9-12(11-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h3-4,7-11,13-14H,1-2,5-6H2,(H,24,27)(H,25,26)(H,28,29)/t13-,14+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Cl)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H17N3O5/c20-14(17-10-4-3-5-11(8-10)19(23)24)9-18-15(21)12-6-1-2-7-13(12)16(18)22/h3-5,8,12-13H,1-2,6-7,9H2,(H,17,20)/t12-,13+
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C
InChI: InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14-,15-,16-,18-,19-,20-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CS2)C
InChI: InChI=1S/C16H23NO3S/c1-10-6-4-5-7-13(10)17-15(18)12(3)20-16(19)14-11(2)8-9-21-14/h8-10,12-13H,4-7H2,1-3H3,(H,17,18)/t10-,12+,13-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COC(=O)CN)OCC3=CC=C(S3)Cl.Cl
InChI: InChI=1S/C16H17ClFN3O6S.ClH/c17-12-2-1-8(28-12)6-25-10-3-13(27-11(10)7-26-14(22)4-19)21-5-9(18)15(23)20-16(21)24;/h1-2,5,10-11,13H,3-4,6-7,19H2,(H,20,23,24);1H/t10-,11+,13+;/m0./s1
SMILES: COC(=O)[C@@]1([C@@H]([C@@]2(C(=C([C@]1(C2(OC)OC)Cl)Cl)Cl)Cl)C(=O)O)Br
InChI: InChI=1S/C12H11BrCl4O6/c1-21-8(20)9(13)4(7(18)19)10(16)5(14)6(15)11(9,17)12(10,22-2)23-3/h4H,1-3H3,(H,18,19)/t4-,9+,10-,11-/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)COC2=CC=NC=C2)CC3CCCCC3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C23H36N2O4/c1-22(2,3)29-21(26)25-19(15-17-9-7-6-8-10-17)20(28-23(25,4)5)16-27-18-11-13-24-14-12-18/h11-14,17,19-20H,6-10,15-16H2,1-5H3/t19-,20-/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3CN4CCN(CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H33ClN2O2/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-10-12-28(13-11-27)19-7-5-18(26)6-8-19/h5-8,20-21,23H,3-4,9-16H2,1-2H3/t20-,21-,23-,25-/m1/s1
SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
InChI: InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11+/t12-,16-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CCC(=O)O
InChI: InChI=1S/C18H22N2O2/c1-20-10-11(5-6-17(21)22)7-14-13-3-2-4-15-18(13)12(9-19-15)8-16(14)20/h2-4,9,11,14,16,19H,5-8,10H2,1H3,(H,21,22)/t11-,14-,16-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H]([C@H]([C@@H]2O1)O)OS(=O)(=O)C)C=C)C
InChI: InChI=1S/C11H18O6S/c1-5-6-8(17-18(4,13)14)7(12)10-9(6)15-11(2,3)16-10/h5-10,12H,1H2,2-4H3/t6-,7+,8+,9+,10-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3CC(O2)(CO3)COP4(=O)OCC5=CC=CC=C5O4
InChI: InChI=1S/C18H19N2O8P/c1-11-7-20(17(22)19-15(11)21)16-14-6-18(27-16,9-24-14)10-26-29(23)25-8-12-4-2-3-5-13(12)28-29/h2-5,7,14,16H,6,8-10H2,1H3,(H,19,21,22)/t14-,16-,18?,29?/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H75N3O11/c1-4-7-8-9-10-11-12-13-14-21-54(63)59(38-42-24-28-51-52(34-42)68-40-67-51)53-37-49(58-70-39-41-22-25-44(26-23-41)60(64)65)47-35-43(19-15-17-30-61)46(20-16-18-31-62)55-48-36-45(66-32-5-2)27-29-50(48)71-57(53,56(47)55)69-33-6-3/h5-6,22-29,34-36,43,46,53,55-56,61-62H,2-4,7-21,30-33,37-40H2,1H3/t43-,46+,53-,55+,56+,57+/m0/s1
SMILES: [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2][C@H]1[13C@@H](O1)/C=[13CH]/C(=O)[13C@]2([C@H]([C@@H](NC2=O)CO)O)O
InChI: InChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14-,15-,17-,19+/m0/s1/i1+1,3+1,5+1,7+1,9+1,11+1,15+1,19+1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]2C7=CC=CC(=C7O)CC=C)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H33Cl2N5O6/c1-3-8-23-9-7-12-29(35(23)48)34-28-19-20-44-38(51)45(26-10-5-4-6-11-26)39(52)47(44)33(28)22-30-36(49)46(43-32-18-15-25(41)21-31(32)42)37(50)40(30,34)24-13-16-27(53-2)17-14-24/h3-7,9-19,21,30,33-34,43,48H,1,8,20,22H2,2H3/t30-,33+,34+,40+/m0/s1
SMILES: C[C@@]12C[C@@H]3CO[P@](O3)O[C@@]1([C@@]4([C@](O2)(OC(O4)(C)C)C)C)C
InChI: InChI=1S/C14H23O6P/c1-10(2)17-13(5)12(4)11(3,19-14(13,6)18-10)7-9-8-15-21(16-9)20-12/h9H,7-8H2,1-6H3/t9-,11-,12+,13-,14+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C3=C4C(=C(C(=C3C[C@@H]5N2[C@H]([C@@H]6CC7=C([C@H]5N6C)C(=C(C(=C7)C)OC)OCOC)C#N)OCC=C)C)OCO4
InChI: InChI=1S/C38H43N3O9S/c1-8-13-46-35-23(4)36-38(49-20-48-36)32-26(35)16-28-33-31-24(14-22(3)34(45-7)37(31)47-19-44-6)15-27(40(33)5)29(17-39)41(28)30(32)18-50-51(42,43)25-11-9-21(2)10-12-25/h8-12,14,27-30,33H,1,13,15-16,18-20H2,2-7H3/t27-,28-,29-,30-,33-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)O
InChI: InChI=1S/C23H29NO5/c1-16(24(25)14-17-10-6-4-7-11-17)19-20(26-15-18-12-8-5-9-13-18)21-22(27-19)29-23(2,3)28-21/h4-13,16,19-22,25H,14-15H2,1-3H3/t16-,19-,20+,21-,22-/m1/s1
SMILES: C1[C@H]([C@@H](C2N1C3[C@H]([C@@H](CN3C4N2C[C@H]([C@@H]4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C54H45N3O12/c58-49(34-19-7-1-8-20-34)64-40-31-55-46(43(40)67-52(61)37-25-13-4-14-26-37)56-32-41(65-50(59)35-21-9-2-10-22-35)45(69-54(63)39-29-17-6-18-30-39)48(56)57-33-42(66-51(60)36-23-11-3-12-24-36)44(47(55)57)68-53(62)38-27-15-5-16-28-38/h1-30,40-48H,31-33H2/t40-,41-,42-,43+,44+,45+,46?,47?,48?/m1/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)CCCCCOC2=CC=C(C=C2)/C(=C\CCCCC(=O)O)/C3=CN=CC=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O
InChI: InChI=1S/C39H47NO8/c41-35-17-10-9-16-34(35)39-31(13-4-1-6-18-36(42)43)28-47-38(48-39)20-8-3-11-26-46-32-23-21-29(22-24-32)33(30-14-12-25-40-27-30)15-5-2-7-19-37(44)45/h1,4,9-10,12,14-17,21-25,27,31,38-39,41H,2-3,5-8,11,13,18-20,26,28H2,(H,42,43)(H,44,45)/b4-1-,33-15+/t31-,38+,39+/m1/s1
SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C4=NNN=N4
InChI: InChI=1S/C30H47N9O6/c1-7-9-19(22(40)27(43)31-17-12-13-17)32-26(42)21-18-11-8-10-16(18)14-39(21)29(45)23(30(4,5)6)34-25(41)20(15(2)3)33-28(44)24-35-37-38-36-24/h15-21,23H,7-14H2,1-6H3,(H,31,43)(H,32,42)(H,33,44)(H,34,41)(H,35,36,37,38)/t16-,18-,19?,20+,21-,23+/m0/s1
SMILES: C1C[C@@H]2[C@@H](C(=C3N([C@@H]2OC1)C4=CC=CC=C4O3)C#N)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H17ClN2O2/c22-14-9-7-13(8-10-14)19-15-4-3-11-25-20(15)24-17-5-1-2-6-18(17)26-21(24)16(19)12-23/h1-2,5-10,15,19-20H,3-4,11H2/t15-,19+,20-/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)CNC(=O)C5=CC=CC=C5)CN6C=NC7=CC=CC=C76
InChI: InChI=1S/C40H37N3O4/c1-27-37(24-43-26-42-35-15-5-6-16-36(35)43)46-40(47-38(27)30-19-17-28(25-44)18-20-30)34-14-8-13-33(22-34)32-12-7-9-29(21-32)23-41-39(45)31-10-3-2-4-11-31/h2-22,26-27,37-38,40,44H,23-25H2,1H3,(H,41,45)/t27-,37+,38+,40+/m1/s1
SMILES: C1CCC2=C(C1)N=C(S2)NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-]
InChI: InChI=1S/C16H20N2O3S/c19-14(12-8-5-6-9(7-8)13(12)15(20)21)18-16-17-10-3-1-2-4-11(10)22-16/h8-9,12-13H,1-7H2,(H,20,21)(H,17,18,19)/p-1/t8-,9+,12+,13+/m1/s1
SMILES: CC(C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSC(=O)C3=CC=CO3)C(=O)O)OC4=CC(=NC5=C4C=CC=C5C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C27H19F6N3O7S2/c1-11(43-16-8-17(27(31,32)33)34-18-13(16)4-2-5-14(18)26(28,29)30)21(37)35-19-22(38)36-20(24(39)40)12(9-44-23(19)36)10-45-25(41)15-6-3-7-42-15/h2-8,11,19,23H,9-10H2,1H3,(H,35,37)(H,39,40)/t11?,19-,23-/m1/s1
SMILES: C/C=C\1/[C@@H]([C@H](OC(=O)O1)[C@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChI: InChI=1S/C26H34O4Si/c1-7-23-20(3)24(30-25(27)29-23)19(2)18-28-31(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h7-17,19-20,24H,18H2,1-6H3/b23-7-/t19-,20+,24-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@](NC1=O)(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H15F3N2O5/c20-19(21,22)18(27)16(17(26)11-5-2-1-3-6-11)14(10-15(25)23-18)12-7-4-8-13(9-12)24(28)29/h1-9,14,16,27H,10H2,(H,23,25)/t14-,16+,18-/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=C4CNC(=O)CCC(=O)O)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C41H46N2O8/c1-26-37(24-43-19-18-31-20-35(48-2)36(49-3)21-33(31)23-43)50-41(51-40(26)29-10-8-27(25-44)9-11-29)30-14-12-28(13-15-30)34-7-5-4-6-32(34)22-42-38(45)16-17-39(46)47/h4-15,20-21,26,37,40-41,44H,16-19,22-25H2,1-3H3,(H,42,45)(H,46,47)/t26-,37+,40+,41+/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)CNC(=O)C(Cl)(Cl)Cl)CSC5=NC=CC=N5
InChI: InChI=1S/C32H30Cl3N3O4S/c1-20-27(19-43-31-36-13-4-14-37-31)41-29(42-28(20)23-11-9-21(18-39)10-12-23)26-8-3-7-25(16-26)24-6-2-5-22(15-24)17-38-30(40)32(33,34)35/h2-16,20,27-29,39H,17-19H2,1H3,(H,38,40)/t20-,27+,28+,29+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=CC(=C(C(=C2)Cl)OC)OC
InChI: InChI=1S/C17H24ClNO3/c1-10-6-5-7-14(11(10)2)19-17(20)12-8-13(18)16(22-4)15(9-12)21-3/h8-11,14H,5-7H2,1-4H3,(H,19,20)/t10-,11+,14+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)OP(=O)([O-])[O-])N
InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6+,7+,10+/m0/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4[C@H]([C@H](N4CC3)C=C)CO
InChI: InChI=1S/C17H20N2O/c1-3-14-13(10-20)17-16-12(8-9-19(14)17)11-6-4-5-7-15(11)18(16)2/h3-7,13-14,17,20H,1,8-10H2,2H3/t13-,14+,17-/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)CN5C(=O)C6=CC=CC=C6C5=O)CN7CCOCC7
InChI: InChI=1S/C38H38N2O6/c1-25-34(23-39-16-18-44-19-17-39)45-38(46-35(25)28-14-12-26(24-41)13-15-28)31-9-5-8-30(21-31)29-7-4-6-27(20-29)22-40-36(42)32-10-2-3-11-33(32)37(40)43/h2-15,20-21,25,34-35,38,41H,16-19,22-24H2,1H3/t25-,34+,35+,38+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@@H]3CC[C@@H]4[C@@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@@]3(CC2)C)C)(C)C)C)C=O
InChI: InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21-,22-,23+,25-,27+,28+,29-,30+/m0/s1
SMILES: CC(C)C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC[C@H]2[C@H]([C@@H]([C@@H](O2)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C46H70N6O11/c1-27(2)21-31(51-43(59)62-45(5,6)7)41(57)49-33(23-29-17-13-11-14-18-29)39(55)47-25-35-37(53)38(54)36(61-35)26-48-40(56)34(24-30-19-15-12-16-20-30)50-42(58)32(22-28(3)4)52-44(60)63-46(8,9)10/h11-20,27-28,31-38,53-54H,21-26H2,1-10H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t31-,32+,33-,34-,35-,36-,37+,38+/m0/s1
SMILES: C[C@@H]1CC[C@]23[C@H]([C@]1(C)C/C=C(/C)\C=C)C[C@H](C=C2[C@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC
InChI: InChI=1S/C34H41F3O8/c1-8-20(2)14-16-31(6)21(3)15-17-32-26(28(42-22(4)38)45-30(32)43-23(5)39)18-25(19-27(31)32)44-29(40)33(41-7,34(35,36)37)24-12-10-9-11-13-24/h8-14,18,21,25,27-28,30H,1,15-17,19H2,2-7H3/b20-14-/t21-,25+,27+,28+,30-,31-,32-,33?/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@]2([C@@H]1C=C(CC2)C(C)(C)O)C)O
InChI: InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4)8-7-11(9-12(10)15)14(2,3)17/h9-10,12-13,16-17H,5-8H2,1-4H3/t10-,12+,13-,15-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@]([C@H]1[C@@H](CCC2=O)OCOC)(COC(O3)(C)C)C
InChI: InChI=1S/C18H30O5/c1-16(2)22-10-18(4)14(23-16)8-9-17(3)13(19)7-6-12(15(17)18)21-11-20-5/h12,14-15H,6-11H2,1-5H3/t12-,14-,15+,17+,18-/m1/s1
SMILES: C[C@]12CCC(=O)C(C1CC[C@@]3(C2CC[C@@]45[C@]3(CC(=O)[C@@]6(C4CC(CC6)(C)C)CO5)C)C)(C)C
InChI: InChI=1S/C30H46O3/c1-24(2)14-15-29-18-33-30(21(29)16-24)13-9-20-26(5)11-10-22(31)25(3,4)19(26)8-12-27(20,6)28(30,7)17-23(29)32/h19-21H,8-18H2,1-7H3/t19?,20?,21?,26-,27+,28-,29+,30-/m0/s1
SMILES: CCCCOC(=O)C1=CC=CC=C1N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H23NO4/c1-2-3-10-25-20(24)14-6-4-5-7-15(14)21-18(22)16-12-8-9-13(11-12)17(16)19(21)23/h4-7,12-13,16-17H,2-3,8-11H2,1H3/t12-,13+,16-,17+
SMILES: CCOCCN=C(NC#N)N[C@@H]1CCCC[C@H]1CN2CCC[C@H](C2)CC3=CC=C(C=C3)F
InChI: InChI=1S/C25H38FN5O/c1-2-32-15-13-28-25(29-19-27)30-24-8-4-3-7-22(24)18-31-14-5-6-21(17-31)16-20-9-11-23(26)12-10-20/h9-12,21-22,24H,2-8,13-18H2,1H3,(H2,28,29,30)/t21-,22-,24+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=CC=C8)O)C(=O)N(C7=O)C9=CC=C(C=C9)C=C)C
InChI: InChI=1S/C42H35ClN4O5S/c1-5-22-9-12-25(13-10-22)46-38(49)28-15-14-27-30(35(28)40(46)51)19-31-39(50)47(41(52)42(31,3)36(27)23-7-6-8-26(48)17-23)34-20-32(44-45(34)4)37-21(2)29-18-24(43)11-16-33(29)53-37/h5-14,16-18,20,28,30-31,35-36,48H,1,15,19H2,2-4H3/t28-,30+,31-,35-,36-,42+/m0/s1
SMILES: CC(=O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C=C)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O
InChI: InChI=1S/C16H15N5O6S2.C6H6O3S/c1-3-7-4-28-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-6(2)22)8-5-29-16(17)18-8;7-10(8,9)6-4-2-1-3-5-6/h3,5,10,14H,1,4H2,2H3,(H2,17,18)(H,19,23)(H,25,26);1-5H,(H,7,8,9)/b20-9+;/t10-,14-;/m1./s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H41NO3Si/c1-20(33-34(8,9)29(5,6)7)23-25(26(31)28(2,3)4)30(27(23)32)24(21-16-12-10-13-17-21)22-18-14-11-15-19-22/h10-20,23-25H,1-9H3/t20-,23-,25+/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)CNC(=O)C4=CC=CC=C4)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C41H53N3O5/c1-27-36(25-44-34-13-9-8-10-30(34)22-23-35(44)39(47)43-41(2,3)4)48-40(49-37(27)31-18-16-29(26-45)17-19-31)33-20-14-28(15-21-33)24-42-38(46)32-11-6-5-7-12-32/h5-7,11-12,14-21,27,30,34-37,40,45H,8-10,13,22-26H2,1-4H3,(H,42,46)(H,43,47)/t27-,30-,34-,35-,36+,37+,40+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@]([C@H](O[C@@H]1OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C=O)O)OC
InChI: InChI=1S/C29H32O7/c1-32-25-26(33-2)28(31,20-30)24(36-27(25)34-3)19-35-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-27,31H,19H2,1-3H3/t24-,25-,26-,27+,28-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C(=O)N=C(C=N2)N)O)O)CO
InChI: InChI=1S/C9H14N4O4/c10-6-2-11-13(9(17)12-6)5-1-4(3-14)7(15)8(5)16/h2,4-5,7-8,14-16H,1,3H2,(H2,10,12,17)/t4-,5-,7-,8+/m1/s1
SMILES: [2H]C([C@@H]1[C@H]([C@@H]([C@H](O1)N2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)F
InChI: InChI=1S/C12H14FN3O7/c1-6(17)21-9-8(5-13)23-11(10(9)22-7(2)18)15-4-3-14-12(15)16(19)20/h3-4,8-11H,5H2,1-2H3/t8-,9-,10+,11+/m1/s1/i5D/t5?,8-,9-,10+,11+
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI: InChI=1S/C17H16Cl2N2O3S/c18-12-6-5-9(7-13(12)19)14-8-25-17(20-14)21-15(22)10-3-1-2-4-11(10)16(23)24/h5-8,10-11H,1-4H2,(H,23,24)(H,20,21,22)/t10-,11+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SC[C@]23[C@H]([C@H]4[C@@H](CO2)OC(O4)(C)C)OC(O3)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H38O14S/c1-12(27)31-9-16-18(33-13(2)28)20(34-14(3)29)21(35-15(4)30)23(36-16)41-11-26-22(39-25(7,8)40-26)19-17(10-32-26)37-24(5,6)38-19/h16-23H,9-11H2,1-8H3/t16-,17-,18-,19-,20+,21-,22+,23-,26+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@H](C)OC(=O)C2=C(SC(=C2C)C)NC(=O)C
InChI: InChI=1S/C20H30N2O4S/c1-10-8-7-9-16(11(10)2)22-18(24)13(4)26-20(25)17-12(3)14(5)27-19(17)21-15(6)23/h10-11,13,16H,7-9H2,1-6H3,(H,21,23)(H,22,24)/t10-,11-,13-,16-/m0/s1