EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1C([S@](=O)C2=CC=C(C=C2)OC)(Cl)Cl)N3C=NC4=C(N=CN=C43)N)OC(=O)C
InChI: InChI=1S/C21H21Cl2N5O7S/c1-10(29)33-15-16(34-11(2)30)20(28-9-27-14-18(24)25-8-26-19(14)28)35-17(15)21(22,23)36(31)13-6-4-12(32-3)5-7-13/h4-9,15-17,20H,1-3H3,(H2,24,25,26)/t15-,16+,17-,20+,36+/m0/s1
SMILES: CC1=C2C=C3CC[C@@H]4[C@@]([C@H]3C[C@@H]2OC1=O)(CCCC4(C)C)C
InChI: InChI=1S/C20H28O2/c1-12-14-10-13-6-7-17-19(2,3)8-5-9-20(17,4)15(13)11-16(14)22-18(12)21/h10,15-17H,5-9,11H2,1-4H3/t15-,16-,17-,20+/m0/s1
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O
InChI: InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C16H20N2O4S/c1-4-16(15(21)22-3)11-10(13(19)18(5-2)14(11)20)12(17-16)9-7-6-8-23-9/h6-8,10-12,17H,4-5H2,1-3H3/t10-,11+,12-,16-/m0/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=CC=C4OC)C#N
InChI: InChI=1S/C17H16N4O3/c1-10-7-23-17(24-10)16(9-19)13(15(16,8-18)14(20)21-17)11-5-3-4-6-12(11)22-2/h3-6,10,13H,7H2,1-2H3,(H2,20,21)/p+1/t10-,13+,15+,16+,17-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)CC4=CC=C(C=C4)F)C
InChI: InChI=1S/C19H17FN4O2/c1-11-3-8-15(9-12(11)2)24-18(25)16-17(19(24)26)23(22-21-16)10-13-4-6-14(20)7-5-13/h3-9,16-17H,10H2,1-2H3/t16-,17-/m1/s1
SMILES: C1CC(=O)[C@H]2[C@@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC(=CC(=C5)F)F
InChI: InChI=1S/C21H16F2N4O2/c22-12-8-11(9-13(23)10-12)19-18-15(5-3-6-16(18)28)24-20(26-19)27-21-25-14-4-1-2-7-17(14)29-21/h1-2,4-5,7-10,18-19H,3,6H2,(H2,24,25,26,27)/t18-,19-/m0/s1
SMILES: C[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=NC4=CC=CC=C4S3)SC1)C(=O)[O-])C(CO)CO
InChI: InChI=1S/C24H28N4O6S3/c1-28(2,15(10-29)11-30)9-5-6-14-12-35-22-19(21(32)27(22)20(14)23(33)34)26-18(31)13-36-24-25-16-7-3-4-8-17(16)37-24/h3-8,15,19,22,29-30H,9-13H2,1-2H3,(H-,26,31,33,34)/b6-5+/t19-,22-/m1/s1
SMILES: CCCCCC(C1=CC=C(C=C1)[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C31H42O4/c1-2-3-7-15-30(35-23-24-12-8-6-9-13-24)26-19-17-25(18-20-26)27-21-22-29(32)28(27)14-10-4-5-11-16-31(33)34/h6,8-9,12-13,17-20,27-28,30H,2-5,7,10-11,14-16,21-23H2,1H3,(H,33,34)/t27-,28-,30?/m1/s1
SMILES: CC1=CC=C(C=C1)CCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChI: InChI=1S/C16H25NO4/c1-11-4-6-12(7-5-11)3-2-8-17-9-14(19)16(21)15(20)13(17)10-18/h4-7,13-16,18-21H,2-3,8-10H2,1H3/t13-,14+,15-,16-/m1/s1
SMILES: CC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)C
InChI: InChI=1S/C14H20O6/c1-7-4-3-5-9(8(7)2)19-14-13(18)12(17)11(16)10(6-15)20-14/h3-5,10-18H,6H2,1-2H3/t10-,11+,12-,13+,14+/m0/s1
SMILES: CCCCCCC[C@@H]1[C@H](OS(=O)(=O)O1)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H34O5SSi/c1-7-8-9-10-11-12-14-15(21-22(17,18)20-14)13-19-23(5,6)16(2,3)4/h14-15H,7-13H2,1-6H3/t14-,15-/m1/s1
SMILES: C1=CC=C(C=C1)N2N=CC(=N2)[C@@H]([C@@H](CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H23N3O8/c21-7-11(23)16(10-6-18-20(19-10)9-4-2-1-3-5-9)28-17-15(26)14(25)13(24)12(8-22)27-17/h1-6,11-17,21-26H,7-8H2/t11-,12-,13+,14+,15-,16+,17+/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C38H42F3N5O6/c1-23-32(21-44-19-16-28(17-20-44)46-30-6-3-2-5-29(30)43-37(46)50)51-35(52-33(23)25-10-8-24(22-47)9-11-25)26-12-14-27(15-13-26)42-34(48)31-7-4-18-45(31)36(49)38(39,40)41/h2-3,5-6,8-15,23,28,31-33,35,47H,4,7,16-22H2,1H3,(H,42,48)(H,43,50)/t23-,31+,32+,33+,35+/m1/s1
SMILES: C(C[C@@H](C(=O)[O-])[NH3+])CN1[C@@H]2[C@@H](NC(=O)N2)NC1=O
InChI: InChI=1S/C9H15N5O4/c10-4(7(15)16)2-1-3-14-6-5(12-9(14)18)11-8(17)13-6/h4-6H,1-3,10H2,(H,12,18)(H,15,16)(H2,11,13,17)/t4-,5-,6+/m0/s1
SMILES: C[C@H]1CC[C@H](O[C@@H]1[C@@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)[C@H](C)C(=O)OC
InChI: InChI=1S/C29H42O4Si/c1-21-18-19-26(23(3)28(30)31-7)33-27(21)22(2)20-32-34(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,21-23,26-27H,18-20H2,1-7H3/t21-,22-,23-,26-,27-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(CC2=CC=CC=C2)C(=O)C)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C28H36O3/c1-20-16-17-24(27(3,4)23-14-10-7-11-15-23)25(18-20)31-26(30)28(5,21(2)29)19-22-12-8-6-9-13-22/h6-15,20,24-25H,16-19H2,1-5H3/t20-,24-,25-,28-/m1/s1
SMILES: C1=CN(C(=O)N=C1NCCCCNC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C22H32N6O10/c29-9-11-15(31)17(33)19(37-11)27-7-3-13(25-21(27)35)23-5-1-2-6-24-14-4-8-28(22(36)26-14)20-18(34)16(32)12(10-30)38-20/h3-4,7-8,11-12,15-20,29-34H,1-2,5-6,9-10H2,(H,23,25,35)(H,24,26,36)/t11-,12-,15-,16-,17-,18-,19-,20-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCCl
InChI: InChI=1S/C42H57ClN2O8S/c1-7-23-50-42-37(45(5)40(48)49-24-20-43)27-35(44-53-41(2,3)4)33-25-28(12-8-10-21-46)32(13-9-11-22-47)38(39(33)42)34-26-30(16-19-36(34)52-42)51-29-14-17-31(54-6)18-15-29/h7,14-19,25-26,28,32,37-39,46-47H,1,8-13,20-24,27H2,2-6H3/t28-,32+,37-,38+,39+,42+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=CC(=C6O)C)C(=O)C(=CC5=O)C)(O)O
InChI: InChI=1S/C30H26BNO7/c1-14-5-3-8-19(27(14)34)24-18-9-10-20-25(21(18)13-22-23(33)11-15(2)28(35)26(22)24)30(37)32(29(20)36)17-7-4-6-16(12-17)31(38)39/h3-9,11-12,20-21,24-25,34,38-39H,10,13H2,1-2H3/t20-,21+,24+,25-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CN4CC[C@H]3[C@@H](C4)C=C)O
InChI: InChI=1S/C20H24N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,23H,1,7,9,11-12H2,2H3/t13-,15+,18-,20-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@H]4C[C@@H](O[C@H]4O3)OC)CCO
InChI: InChI=1S/C26H36O5Si/c1-26(2,3)32(19-11-7-5-8-12-19,20-13-9-6-10-14-20)29-18-23-21(15-16-27)22-17-24(28-4)31-25(22)30-23/h5-14,21-25,27H,15-18H2,1-4H3/t21-,22+,23+,24+,25+/m0/s1
SMILES: CC(C)NC(=O)CNC(=O)COC(=O)[C@@H]1CCCC[C@H]1C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C21H27N3O4S/c1-13(2)23-18(25)11-22-19(26)12-28-21(27)15-8-4-3-7-14(15)20-24-16-9-5-6-10-17(16)29-20/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,22,26)(H,23,25)/t14-,15-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H](OS(=O)(=O)O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H28O7S/c27-34(28)32-20-24(30-17-22-12-6-2-7-13-22)26(31-18-23-14-8-3-9-15-23)25(33-34)19-29-16-21-10-4-1-5-11-21/h1-15,24-26H,16-20H2/t24-,25+,26+/m0/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)O)C
InChI: InChI=1S/C16H18BrNO3/c1-9-7-13(14(16(20)21)8-10(9)2)15(19)18-12-5-3-11(17)4-6-12/h3-6,13-14H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(C[C@@H]5O)(C)C)C)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C36H60O9/c1-31(2)14-20-19-8-9-23-32(3)12-11-26(45-30-29(43)28(42)27(41)21(17-37)44-30)33(4,18-38)22(32)10-13-34(23,5)35(19,6)16-25(40)36(20,7)24(39)15-31/h8,20-30,37-43H,9-18H2,1-7H3/t20-,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,32-,33-,34+,35+,36+/m0/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)OCC7=CC=CC(=N7)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C62H85N3O8/c1-7-9-10-11-12-13-14-15-16-23-39-69-60(68)65(43-48-30-25-29-46-27-17-18-32-51(46)48)57-42-55(64-73-61(4,5)6)53-40-47(28-19-21-36-66)52(33-20-22-37-67)58-54-41-50(70-44-49-31-24-26-45(3)63-49)34-35-56(54)72-62(57,59(53)58)71-38-8-2/h8,17-18,24-27,29-32,34-35,40-41,47,52,57-59,66-67H,2,7,9-16,19-23,28,33,36-39,42-44H2,1,3-6H3/t47-,52+,57-,58+,59+,62+/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C24H19N3O5/c28-23-20-21(18-13-7-8-14-19(18)27(30)31)26(17-11-5-2-6-12-17)32-22(20)24(29)25(23)15-16-9-3-1-4-10-16/h1-14,20-22H,15H2/t20-,21+,22-/m0/s1
SMILES: CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C19H22N2O6S/c1-2-20-19(22)27-16-11-26-17-15(10-25-18(16)17)21-28(23,24)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-18,21H,2,10-11H2,1H3,(H,20,22)/t15-,16+,17+,18+/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H]([C@@H]([C@@H]([C@@H]([C@H](C(=O)CC(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C41H57N3O10/c1-10-32-41(7)38(43-40(49)54-41)25(5)34(47)24(4)36(50-17-13-14-27-19-28-15-11-12-16-29(28)42-21-27)26(6)37(23(3)31(45)20-33(46)52-32)53-39-35(48)30(44(8)9)18-22(2)51-39/h11-16,19,21-26,30,32,35-39,48H,10,17-18,20H2,1-9H3,(H,43,49)/b14-13+/t22-,23+,24+,25+,26+,30+,32-,35-,36+,37-,38?,39+,41-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]3([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)NC(=O)O3)C)C)C)OC(=O)CC4=CN=CC=C4)C)O)N(C)C=C
InChI: InChI=1S/C38H57N3O11/c1-12-41(10)27-16-21(3)48-35(30(27)44)51-33-23(5)31(50-28(42)17-26-14-13-15-39-19-26)24(6)34(45)49-25(7)38(9)32(40-36(46)52-38)22(4)29(43)20(2)18-37(33,8)47-11/h12-15,19-25,27,30-33,35,44H,1,16-18H2,2-11H3,(H,40,46)/t20-,21-,22+,23+,24-,25-,27+,30-,31+,32-,33-,35?,37-,38-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6Br)Br)O)OC)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)(O)O
InChI: InChI=1S/C33H20BBr2Cl2F5N2O8/c1-53-16-8-14(19(35)20(36)27(16)46)18-12-5-6-13-17(29(48)44(28(13)47)11-4-2-3-10(7-11)34(51)52)15(12)9-32(37)30(49)45(31(50)33(18,32)38)26-24(42)22(40)21(39)23(41)25(26)43/h2-5,7-8,13,15,17-18,46,51-52H,6,9H2,1H3/t13-,15+,17-,18+,32+,33-/m0/s1
SMILES: CN(C)C1=CC(=CC=C1)OC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=S)NC5=CC=C(C=C5)F
InChI: InChI=1S/C22H24FN7O3S/c1-29(2)15-4-3-5-16(10-15)33-22-26-27-28-30(22)18-12-32-19-17(11-31-20(18)19)25-21(34)24-14-8-6-13(23)7-9-14/h3-10,17-20H,11-12H2,1-2H3,(H2,24,25,34)/t17-,18-,19+,20+/m0/s1
SMILES: CC1=C2CC(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
InChI: InChI=1S/C43H53NO13/c1-23-27-19-29(46)41(8)30(47)20-31-42(22-53-31,56-24(2)45)34(41)35(55-36(49)26-17-13-10-14-18-26)43(52,40(27,6)7)21-28(23)54-37(50)33(48)32(25-15-11-9-12-16-25)44-38(51)57-39(3,4)5/h9-18,28,30-35,47-48,52H,19-22H2,1-8H3,(H,44,51)/t28-,30+,31+,32-,33+,34-,35-,41+,42-,43+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](OC(=O)[C@@H]2O1)[C@@H]3[C@H](OC(O3)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C21H35F3O10SSi/c1-18(2,3)36(8,9)28-10-11(34-35(26,27)21(22,23)24)12-14(31-19(4,5)30-12)13-15-16(17(25)29-13)33-20(6,7)32-15/h11-16H,10H2,1-9H3/t11-,12-,13-,14+,15-,16-/m1/s1
SMILES: C[C@H](CC(=O)CC(C)C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C33H60O3Si/c1-21(2)17-24(34)18-22(3)28-20-29(35)30-26-12-11-23-19-25(36-37(9,10)31(4,5)6)13-15-32(23,7)27(26)14-16-33(28,30)8/h21-23,25-30,35H,11-20H2,1-10H3/t22-,23+,25+,26-,27+,28-,29-,30-,32+,33-/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C6CC6)C)CN1C
InChI: InChI=1S/C26H39NO2/c1-16-21-8-9-23-20-7-6-18-14-19(29-24(28)17-4-5-17)10-12-25(18,2)22(20)11-13-26(21,23)15-27(16)3/h6,16-17,19-23H,4-5,7-15H2,1-3H3/t16-,19-,20+,21+,22-,23-,25-,26-/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C8=CC=CC=C78)O)Cl)C9=C(C(=C(C(=C9F)F)F)F)F)Cl
InChI: InChI=1S/C40H28Cl2F5N3O6/c41-39-17-25-23(9-10-24-27(25)36(53)49(35(24)52)19-7-5-18(6-8-19)48-13-15-56-16-14-48)28(22-11-12-26(51)21-4-2-1-3-20(21)22)40(39,42)38(55)50(37(39)54)34-32(46)30(44)29(43)31(45)33(34)47/h1-9,11-12,24-25,27-28,51H,10,13-17H2/t24-,25+,27-,28-,39+,40-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)NC23C=CC([C@@H]4[C@H]2C(=O)OC4=O)([C@H]5[C@@H]3C(=O)OC5=O)C6=CC=CO6
InChI: InChI=1S/C23H15NO8/c25-17(11-5-2-1-3-6-11)24-23-9-8-22(12-7-4-10-30-12,13-15(23)20(28)31-18(13)26)14-16(23)21(29)32-19(14)27/h1-10,13-16H,(H,24,25)/t13-,14+,15+,16-,22?,23?
SMILES: C[C@@H]1CC[C@]2([C@H]([C@]1(C)CC=O)CCC=C2CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C32H44O2Si/c1-25-20-21-32(6)26(14-13-19-29(32)31(25,5)22-23-33)24-34-35(30(2,3)4,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-12,14-18,23,25,29H,13,19-22,24H2,1-6H3/t25-,29+,31-,32-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@]2([C@H](N1CC3=CC=C(C=C3)Cl)C[C@@H]([C@@H]([C@@H]2O)O)O)O
InChI: InChI=1S/C17H22ClNO6/c1-25-16(23)11-7-17(24)13(6-12(20)14(21)15(17)22)19(11)8-9-2-4-10(18)5-3-9/h2-5,11-15,20-22,24H,6-8H2,1H3/t11-,12-,13+,14-,15-,17-/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)C[NH+]2CC[C@H]3CCCC[C@@H]3C2)C
InChI: InChI=1S/C19H28N2O/c1-14-9-15(2)11-18(10-14)20-19(22)13-21-8-7-16-5-3-4-6-17(16)12-21/h9-11,16-17H,3-8,12-13H2,1-2H3,(H,20,22)/p+1/t16-,17-/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)C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)CC6=CC=CS6)Cl
InChI: InChI=1S/C30H28Cl2N2O7S/c1-33-27(38)29(31)13-19-17(7-8-18-23(19)26(37)34(25(18)36)14-16-5-4-10-42-16)20(30(29,32)28(33)39)9-6-15-11-21(40-2)24(35)22(12-15)41-3/h4-7,9-12,18-20,23,35H,8,13-14H2,1-3H3/t18-,19+,20-,23-,29+,30-/m0/s1
SMILES: CC(C)OC(=O)[C@@H](C[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C)O
InChI: InChI=1S/C17H28O8/c1-8(2)20-14(19)9(18)7-10-11-12(23-16(3,4)22-11)13-15(21-10)25-17(5,6)24-13/h8-13,15,18H,7H2,1-6H3/t9-,10-,11+,12+,13-,15-/m1/s1
SMILES: C1CC(=O)N[C@@H]([C@H]1[N+](=O)[O-])C2=CC(=C(C=C2)F)Br
InChI: InChI=1S/C11H10BrFN2O3/c12-7-5-6(1-2-8(7)13)11-9(15(17)18)3-4-10(16)14-11/h1-2,5,9,11H,3-4H2,(H,14,16)/t9-,11+/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(C)C(=O)CC7=CC(=CC=C7)OC)OCC=C
InChI: InChI=1S/C51H60N4O10/c1-5-26-63-51-47(54(3)48(58)28-36-13-11-16-40(27-36)61-4)31-45(53-64-32-35-18-20-39(21-19-35)55(59)60)43-29-37(14-6-8-24-56)42(17-7-9-25-57)49(50(43)51)44-30-41(22-23-46(44)65-51)62-33-38-15-10-12-34(2)52-38/h5,10-13,15-16,18-23,27,29-30,37,42,47,49-50,56-57H,1,6-9,14,17,24-26,28,31-33H2,2-4H3/t37-,42+,47-,49+,50+,51+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO/c22-20(21-19-13-14-6-7-18(19)12-14)17-10-8-16(9-11-17)15-4-2-1-3-5-15/h1-5,8-11,14,18-19H,6-7,12-13H2,(H,21,22)/t14-,18+,19+/m0/s1
SMILES: C[C@@]12CC[C@]34CCC([C@H]([C@H]3[C@@H]1CC[C@@H]5[C@]2(CC[C@@H]6[C@@]5(CC[C@H](C6(C)C)OC(=O)C7=CC=CC=C7C(=O)O)C)C)OC4)(C)C
InChI: InChI=1S/C38H54O5/c1-33(2)18-20-38-21-19-36(6)25(29(38)30(33)42-22-38)12-13-27-35(5)16-15-28(34(3,4)26(35)14-17-37(27,36)7)43-32(41)24-11-9-8-10-23(24)31(39)40/h8-11,25-30H,12-22H2,1-7H3,(H,39,40)/t25-,26-,27-,28+,29+,30-,35-,36+,37+,38-/m0/s1
SMILES: COC1=C(C=C(C=C1Cl)C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)Cl
InChI: InChI=1S/C17H21Cl2NO2/c1-22-16-14(18)8-13(9-15(16)19)17(21)20-7-6-11-4-2-3-5-12(11)10-20/h8-9,11-12H,2-7,10H2,1H3/t11-,12+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CSC=C3)CCCO
InChI: InChI=1S/C19H27NO5S/c1-2-24-19-15(4-3-8-21)16(14-5-11-26-13-14)12-17(25-19)18(22)20-6-9-23-10-7-20/h5,11-13,15-16,19,21H,2-4,6-10H2,1H3/t15-,16+,19+/m0/s1
SMILES: COC(=O)[C@H]1[C@H](N[C@@]([C@@H]1C(=O)OC)(CCSC)C(=O)O)C2=CC=CC=C2O
InChI: InChI=1S/C18H23NO7S/c1-25-15(21)12-13(16(22)26-2)18(17(23)24,8-9-27-3)19-14(12)10-6-4-5-7-11(10)20/h4-7,12-14,19-20H,8-9H2,1-3H3,(H,23,24)/t12-,13+,14-,18-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC)O
InChI: InChI=1S/C46H41N5O8/c1-26-12-11-17-30(41(26)53)40-29-18-21-50-44(56)49(20-19-33-43(55)48(2)36-25-38(59-4)37(58-3)24-34(36)47-33)45(57)51(50)35(29)23-32-42(54)31(27-13-7-5-8-14-27)22-39(52)46(32,40)28-15-9-6-10-16-28/h5-18,22,24-25,32,35,40,53H,19-21,23H2,1-4H3/t32-,35+,40+,46-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@]([C@H]1C2=CC=CC=C2)(C[C@@H](COS(=O)(=O)C)C3=CC=CC=C3)O
InChI: InChI=1S/C26H35NO6S/c1-25(2,3)33-24(28)27-17-11-16-26(29,23(27)21-14-9-6-10-15-21)18-22(19-32-34(4,30)31)20-12-7-5-8-13-20/h5-10,12-15,22-23,29H,11,16-19H2,1-4H3/t22-,23+,26-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2N)C(C)C)CCCO
InChI: InChI=1S/C20H30N2O4/c1-4-25-20-14(8-7-11-23)15(13(2)3)12-18(26-20)19(24)22-17-10-6-5-9-16(17)21/h5-6,9-10,12-15,20,23H,4,7-8,11,21H2,1-3H3,(H,22,24)/t14-,15+,20+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@]2([C@H](C[C@@H]([C@]([C@H]2[C@H]3[C@@]4(C[C@@H](C(=C1C4(C)C)C)O[Si](C)(C)C(C)(C)C)OC(=O)O3)(CO)O)OS(=O)(=O)C5=CC=C(C=C5)C)OCOCC6=CC=CC=C6)C
InChI: InChI=1S/C48H74O12SSi2/c1-14-63(15-2,16-3)60-37-27-46(11)38(55-31-54-29-34-20-18-17-19-21-34)26-39(58-61(52,53)35-24-22-32(4)23-25-35)47(51,30-49)41(46)42-48(57-43(50)56-42)28-36(33(5)40(37)45(48,9)10)59-62(12,13)44(6,7)8/h17-25,36-39,41-42,49,51H,14-16,26-31H2,1-13H3/t36-,37+,38-,39-,41-,42-,46+,47-,48+/m0/s1
SMILES: CC(=O)O[C@@H]1CS[C@H]([C@H]1OC(=O)C)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3
InChI: InChI=1S/C23H26O4S3/c1-16(24)26-20-15-28-22(21(20)27-17(2)25)23(29-13-18-9-5-3-6-10-18)30-14-19-11-7-4-8-12-19/h3-12,20-23H,13-15H2,1-2H3/t20-,21+,22-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3CSCC=C3[C@H](C(=N)C2(C#N)C#N)C#N
InChI: InChI=1S/C19H16N4OS/c1-24-13-4-2-12(3-5-13)17-16-9-25-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,15-17,23H,7,9H2,1H3/t15-,16-,17+/m1/s1
SMILES: C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CCC=C4)C.C1=CC=C(C=C1)/C=C/C(=O)O
InChI: InChI=1S/C19H29N.C9H8O2/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18;10-9(11)7-6-8-4-2-1-3-5-8/h3,5-6,14-17H,4,7-12,20H2,1-2H3;1-7H,(H,10,11)/b;7-6+/t14-,15-,16-,17-,18-,19-;/m0./s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@@H]3CC(=S)NC3)C(=O)OC4=CC5=C(C=C4)OCO5)[C@@H](C)OC(=O)[C@H](C)N
InChI: InChI=1S/C24H27N3O7S2/c1-10-19-18(12(3)33-23(29)11(2)25)22(28)27(19)20(21(10)36-14-7-17(35)26-8-14)24(30)34-13-4-5-15-16(6-13)32-9-31-15/h4-6,10-12,14,18-19H,7-9,25H2,1-3H3,(H,26,35)/t10-,11+,12-,14-,18-,19-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N4CC[C@@H](C4)NC(=O)CN=C(N)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C22H33N7O6S/c1-9-16-15(10(2)30)20(33)29(16)17(21(34)35)18(9)36-12-5-13(25-6-12)19(32)28-4-3-11(8-28)27-14(31)7-26-22(23)24/h9-13,15-16,25,30H,3-8H2,1-2H3,(H,27,31)(H,34,35)(H4,23,24,26)/t9-,10-,11+,12+,13+,15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)N3C(=O)CCC3=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H17FN2O3/c1-12-2-8-15(9-3-12)22-18(13-4-6-14(21)7-5-13)19(20(22)26)23-16(24)10-11-17(23)25/h2-9,18-19H,10-11H2,1H3/t18-,19-/m0/s1
SMILES: COCCOC1=C(C=C(C=N1)C(=O)NC[C@@H]2CCCC[C@@H]2O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H27ClN2O4/c1-28-10-11-29-22-19(15-6-8-18(23)9-7-15)12-17(14-25-22)21(27)24-13-16-4-2-3-5-20(16)26/h6-9,12,14,16,20,26H,2-5,10-11,13H2,1H3,(H,24,27)/t16-,20-/m0/s1
SMILES: CC1(COC2(C[C@H]3C[C@H]([C@@H]([C@H]3C2)C(C(Cl)(Cl)Cl)OS(=O)(=O)C)O[Si](C)(C)C(C)(C)C)OC1)C
InChI: InChI=1S/C22H39Cl3O6SSi/c1-19(2,3)33(7,8)31-16-9-14-10-21(28-12-20(4,5)13-29-21)11-15(14)17(16)18(22(23,24)25)30-32(6,26)27/h14-18H,9-13H2,1-8H3/t14-,15+,16-,17-,18?/m1/s1
SMILES: CCC1=CC=CC(=C1NC(=O)[C@H]2CC(=O)N(C2)[C@@H]3CCC[C@@H]([C@@H]3C)C)C
InChI: InChI=1S/C22H32N2O2/c1-5-17-10-6-9-15(3)21(17)23-22(26)18-12-20(25)24(13-18)19-11-7-8-14(2)16(19)4/h6,9-10,14,16,18-19H,5,7-8,11-13H2,1-4H3,(H,23,26)/t14-,16-,18-,19+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)SC4=C(N=NS4)CSCCNCCN=C(N)N.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C20H25N11O5S5.C2HF3O2/c21-19(22)25-2-1-24-3-4-37-5-9-18(41-30-28-9)40-10-7-38-16-12(15(33)31(16)13(10)17(34)35)27-14(32)11(29-36)8-6-39-20(23)26-8;3-2(4,5)1(6)7/h6,12,16,24,36H,1-5,7H2,(H2,23,26)(H,27,32)(H,34,35)(H4,21,22,25);(H,6,7)/b29-11-;/t12-,16-;/m1./s1
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)O
InChI: InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36)/t21-,23-,26-,29+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4OCC(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H19NO4/c25-18(14-6-2-1-3-7-14)13-28-19-9-5-4-8-17(19)24-22(26)20-15-10-11-16(12-15)21(20)23(24)27/h1-11,15-16,20-21H,12-13H2/t15-,16+,20-,21-/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC(=CC=C5)I
InChI: InChI=1S/C25H24INO6/c26-19-7-3-6-15(10-19)24(30)31-20-11-18(23(29)27-8-9-28)12-21-22(20)33-25(32-21)13-16-4-1-2-5-17(16)14-25/h1-7,10,12,20-22,28H,8-9,11,13-14H2,(H,27,29)/t20-,21-,22+/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCC[C@H]5CO
InChI: InChI=1S/C32H40F3N3O6/c1-20-27(17-37-14-2-4-25(37)19-40)43-30(44-28(20)23-10-8-22(18-39)9-11-23)24-12-6-21(7-13-24)16-36-29(41)26-5-3-15-38(26)31(42)32(33,34)35/h6-13,20,25-28,30,39-40H,2-5,14-19H2,1H3,(H,36,41)/t20-,25+,26+,27+,28+,30+/m1/s1
SMILES: C1[C@@](C(=O)[C@H]2[C@@]1([C@H]2C3=CC=CC=C3)C4=CC=CC=C4)(C#N)C5=CC=CC=C5
InChI: InChI=1S/C25H19NO/c26-17-24(19-12-6-2-7-13-19)16-25(20-14-8-3-9-15-20)21(22(25)23(24)27)18-10-4-1-5-11-18/h1-15,21-22H,16H2/t21-,22-,24+,25+/m0/s1
SMILES: CC[C@@H]1[C@H](C/C=C\C[C@@H](O1)[C@H]2COC(O2)(C)C)Br
InChI: InChI=1S/C14H23BrO3/c1-4-11-10(15)7-5-6-8-12(17-11)13-9-16-14(2,3)18-13/h5-6,10-13H,4,7-9H2,1-3H3/b6-5-/t10-,11+,12+,13+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C19H26F3N3O3/c1-13-5-3-4-6-16(13)24-18(27)12-25(2)11-17(26)23-14-7-9-15(10-8-14)28-19(20,21)22/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,23,26)(H,24,27)/t13-,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[P@@](=O)(C)NC6=CC=CC=C6
InChI: InChI=1S/C38H40N3O8P/c1-26-24-41(37(43)39-36(26)42)35-23-33(49-50(4,44)40-30-13-9-6-10-14-30)34(48-35)25-47-38(27-11-7-5-8-12-27,28-15-19-31(45-2)20-16-28)29-17-21-32(46-3)22-18-29/h5-22,24,33-35H,23,25H2,1-4H3,(H,40,44)(H,39,42,43)/t33-,34+,35+,50-/m0/s1
SMILES: CC(C)NC[C@@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCCC4)C)C)O
InChI: InChI=1S/C23H41NO/c1-16(2)24-15-23(25)14-11-20-18-9-8-17-7-5-6-12-21(17,3)19(18)10-13-22(20,23)4/h16-20,24-25H,5-15H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-/m1/s1
SMILES: C1C[N+]2(CCC1(C2)O)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCF)/C5=NSC(=N5)N)SC3)C(=O)[O-]
InChI: InChI=1S/C19H22FN7O6S2/c20-8-33-24-10(13-23-18(21)35-25-13)14(28)22-11-15(29)26-12(17(30)31)9(6-34-16(11)26)5-27-3-1-19(32,7-27)2-4-27/h11,16,32H,1-8H2,(H3-,21,22,23,25,28,30,31)/b24-10-/t11-,16-,19?,27?/m1/s1
SMILES: C1CC1C(=O)[C@H]2[C@@H](C([C@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18N4O3/c25-13-24(14-26)20-11-10-15-4-1-2-7-19(15)27(20)22(23(29)16-8-9-16)21(24)17-5-3-6-18(12-17)28(30)31/h1-7,10-12,16,20-22H,8-9H2/t20-,21-,22+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]([C@@H]2O1)[C@H](CC=C)C3=CC=C(C=C3)OC)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H40O5Si/c1-10-11-19(17-12-14-18(26-7)15-13-17)21-23-22(29-25(5,6)30-23)20(28-21)16-27-31(8,9)24(2,3)4/h10,12-15,19-23H,1,11,16H2,2-9H3/t19-,20-,21-,22-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)CNC(=O)C5=CC=CS5
InChI: InChI=1S/C21H18N2O4S/c1-12-4-6-13(7-5-12)23-19(25)16-14-8-9-21(27-14,17(16)20(23)26)11-22-18(24)15-3-2-10-28-15/h2-10,14,16-17H,11H2,1H3,(H,22,24)/t14-,16+,17+,21-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)C6=CC=CC=C6)C7=CC=CC=C7)N8N1C(=O)N(C8=O)C9=CC=CC=C9
InChI: InChI=1S/C42H31N3O5/c46-36-21-20-31(29-18-10-11-19-30(29)36)38-32-22-23-43-40(49)44(28-16-8-3-9-17-28)41(50)45(43)35(32)25-34-39(48)33(26-12-4-1-5-13-26)24-37(47)42(34,38)27-14-6-2-7-15-27/h1-22,24,34-35,38,46H,23,25H2/t34-,35+,38-,42-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)/C=[N+](/CC3=CC=CC=C3)\[O-]
InChI: InChI=1S/C17H21NO6/c1-11(19)21-14-13(22-16-15(14)23-17(2,3)24-16)10-18(20)9-12-7-5-4-6-8-12/h4-8,10,13-16H,9H2,1-3H3/b18-10-/t13-,14+,15-,16-/m1/s1