EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C(C)C)OC(=O)C(C)C
InChI: InChI=1S/C18H28O7/c1-10(2)16(19)23-9-14-15(25-18(21)12(5)6)13(7-8-22-14)24-17(20)11(3)4/h7-8,10-15H,9H2,1-6H3/t13-,14-,15-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[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)OC
InChI: InChI=1S/C44H55NO14/c1-23-27(56-38(51)32(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)33(54-9)30(23)41(44,6)7)28(47)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34?,36-,42+,43-,44+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC=C)O
InChI: InChI=1S/C13H16N2O7/c1-3-20-13(19)21-6-9-8(16)4-10(22-9)15-5-7(2)11(17)14-12(15)18/h3,5,8-10,16H,1,4,6H2,2H3,(H,14,17,18)/t8-,9+,10+/m0/s1
SMILES: CN[C@@H]1CO[C@@H](C[C@H]1O)OC[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC
InChI: InChI=1S/C34H36N4O9/c1-35-18-13-45-22(12-20(18)39)46-14-21-31(44-3)29(40)30(41)34(47-21)38-19-11-7-5-9-16(19)24-26-25(32(42)37(2)33(26)43)23-15-8-4-6-10-17(15)36-27(23)28(24)38/h4-11,18,20-22,29-31,34-36,39-41H,12-14H2,1-3H3/t18-,20-,21-,22-,29+,30-,31+,34-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CN(C)CC3=CC=CC=C3
InChI: InChI=1S/C19H25N3O3/c1-14-8-6-7-11-16(14)22-18(24)17(23)21(19(22)25)13-20(2)12-15-9-4-3-5-10-15/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3/t14-,16-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H27Cl2N3O7/c39-21-7-4-8-24(17-21)42-35(46)30-19-29-26(15-16-28-32(29)36(47)41(34(28)45)22-9-11-23(12-10-22)43(49)50)33(27-14-13-25(44)18-31(27)40)38(30,37(42)48)20-5-2-1-3-6-20/h1-15,17-18,28-30,32-33,44H,16,19H2/t28-,29+,30-,32-,33+,38+/m0/s1
SMILES: CCCCCNC(=O)CN1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)O
InChI: InChI=1S/C25H40N2O5/c1-5-6-9-13-26-22(28)17-27-14-12-25(29)11-8-7-10-19(25)23(27)18-15-20(30-2)24(32-4)21(16-18)31-3/h15-16,19,23,29H,5-14,17H2,1-4H3,(H,26,28)/t19-,23-,25-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)N(C)C3=CC=CC=C3)OC4=CC=NC=C4)NC(=O)OC5CCCC5
InChI: InChI=1S/C35H46N6O8S/c1-6-23-21-35(23,32(44)39-50(46,47)40(5)24-12-8-7-9-13-24)38-30(42)28-20-27(48-26-16-18-36-19-17-26)22-41(28)31(43)29(34(2,3)4)37-33(45)49-25-14-10-11-15-25/h6-9,12-13,16-19,23,25,27-29H,1,10-11,14-15,20-22H2,2-5H3,(H,37,45)(H,38,42)(H,39,44)/t23-,27-,28-,29-,35-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
InChI: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES: CC(C)CC1=CC=C(C=C1)C2(O[C@H]([C@@H](O2)C(=O)OC)C(=O)OC)C(C)Br
InChI: InChI=1S/C19H25BrO6/c1-11(2)10-13-6-8-14(9-7-13)19(12(3)20)25-15(17(21)23-4)16(26-19)18(22)24-5/h6-9,11-12,15-16H,10H2,1-5H3/t12?,15-,16-/m1/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C#N
InChI: InChI=1S/C23H19BrN4O3S/c1-2-31-19-6-4-3-5-16(19)21-17(11-25)22(30)28-23(18(21)12-26)32-13-20(29)27-15-9-7-14(24)8-10-15/h3-10,17,21H,2,13H2,1H3,(H,27,29)(H,28,30)/t17-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)O)C
InChI: InChI=1S/C23H25NO5S/c1-11-4-6-13(7-5-11)16-12(2)30-21(19(16)23(28)29-3)24-20(25)17-14-8-9-15(10-14)18(17)22(26)27/h4-7,14-15,17-18H,8-10H2,1-3H3,(H,24,25)(H,26,27)/t14-,15+,17+,18+/m0/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2([C@H]1C[C@@H](CC2)C3(CO3)C)C)Cl
InChI: InChI=1S/C15H25ClO/c1-10-12-8-11(15(3)9-17-15)4-6-14(12,2)7-5-13(10)16/h10-13H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15?/m0/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@@H]2C1)CC(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H22Cl2N2O/c18-14-5-6-16(15(19)9-14)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h5-6,9,12-13H,1-4,7-8,10-11H2,(H,20,22)/p+1/t12-,13+/m0/s1
SMILES: C[C@@H](C1(O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC)C2=CC=C(C=C2)OC)Br
InChI: InChI=1S/C16H19BrO7/c1-9(17)16(10-5-7-11(20-2)8-6-10)23-12(14(18)21-3)13(24-16)15(19)22-4/h5-9,12-13H,1-4H3/t9-,12+,13+/m0/s1
SMILES: CC1=N[C@@H]2C=CC=C[C@H]2C1=CNNC3=NC(=NC(=N3)N4CCCC4)N5CCCC5
InChI: InChI=1S/C21H28N8/c1-15-17(16-8-2-3-9-18(16)23-15)14-22-27-19-24-20(28-10-4-5-11-28)26-21(25-19)29-12-6-7-13-29/h2-3,8-9,14,16,18,22H,4-7,10-13H2,1H3,(H,24,25,26,27)/t16-,18+/m0/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(CC[C@@H](C4)OC(=O)NCCCCCCOP(N(C(C)C)C(C)C)OCC#N)C)C
InChI: InChI=1S/C42H74N3O4P/c1-30(2)15-14-16-33(7)37-19-20-38-36-18-17-34-29-35(21-23-41(34,8)39(36)22-24-42(37,38)9)49-40(46)44-26-12-10-11-13-27-47-50(48-28-25-43)45(31(3)4)32(5)6/h17,30-33,35-39H,10-16,18-24,26-29H2,1-9H3,(H,44,46)/t33-,35+,36+,37-,38+,39+,41+,42-,50?/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=NNC(=O)N)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C20H31N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/t13-,14+,15-,16+,19-,20-/m0/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)[C@H](CC(C)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H28N2O3S/c1-16(2)15-20(28(26,27)19-13-9-6-10-14-19)24-21(17(3)23(4)22(24)25)18-11-7-5-8-12-18/h5-14,16-17,20-21H,15H2,1-4H3/t17-,20-,21-/m0/s1
SMILES: COC(=O)[C@@]1([C@@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)Br)O
InChI: InChI=1S/C28H27BrO8/c1-33-27(31)28(32)24(29)22(36-25(30)21-15-9-4-10-16-21)23(34-17-19-11-5-2-6-12-19)26(37-28)35-18-20-13-7-3-8-14-20/h2-16,22-24,26,32H,17-18H2,1H3/t22-,23-,24-,26-,28+/m1/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)([C@@H](C2=O)Br)C(=O)NC3=NC=C(C=C3)Br
InChI: InChI=1S/C16H18Br2N2O2/c1-14(2)15(3)6-7-16(14,11(18)12(15)21)13(22)20-10-5-4-9(17)8-19-10/h4-5,8,11H,6-7H2,1-3H3,(H,19,20,22)/t11-,15+,16-/m1/s1
SMILES: CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C(=O)OCC)C
InChI: InChI=1S/C21H30N2O4S/c1-5-23(6-2)20(25)17-12(4)16(21(26)27-7-3)19(28-17)22-18(24)15-11-13-8-9-14(15)10-13/h13-15H,5-11H2,1-4H3,(H,22,24)/t13-,14-,15-/m0/s1
SMILES: CN1[C@H]2CC(CC1C3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13+,14?,15-,16?/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C\C4=NC=C(C=N4)C5=CC=CS5)C)C)C(=C)CO2)C
InChI: InChI=1S/C43H61N3O9S/c1-12-33-43(9)35(25(3)23-52-43)27(5)36(47)24(2)20-42(8,51-17-13-16-34-44-21-30(22-45-34)32-15-14-18-56-32)39(28(6)37(48)29(7)40(50)54-33)55-41-38(49)31(46(10)11)19-26(4)53-41/h13-16,18,21-22,24,26-29,31,33,35,38-39,41,49H,3,12,17,19-20,23H2,1-2,4-11H3/b16-13-/t24-,26-,27?,28+,29?,31+,33-,35+,38-,39-,41+,42-,43-/m1/s1
SMILES: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)C(C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C26H28O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-21,24-25,27-32H,9H2,1H3/t13-,16-,17-,18?,19-,20+,21-,24+,25+,26-/m1/s1
SMILES: CCC[C@H](C)C1=C(C(=NO1)C)C2=N[C@H]([C@@H](O2)C3=CC=CC=C3)COC
InChI: InChI=1S/C20H26N2O3/c1-5-9-13(2)18-17(14(3)22-25-18)20-21-16(12-23-4)19(24-20)15-10-7-6-8-11-15/h6-8,10-11,13,16,19H,5,9,12H2,1-4H3/t13-,16-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@]3(CCC4=CC=CC=C43)NC2=O
InChI: InChI=1S/C20H25N3O3/c1-13-6-2-5-9-16(13)21-17(24)12-23-18(25)20(22-19(23)26)11-10-14-7-3-4-8-15(14)20/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,21,24)(H,22,26)/t13-,16-,20+/m0/s1
SMILES: CCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC(=CC=C3)OC
InChI: InChI=1S/C16H20N2O4S2/c1-3-15(19)17-16-18(8-11-5-4-6-12(7-11)22-2)13-9-24(20,21)10-14(13)23-16/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CSC(=N2)C3=CSC=C3
InChI: InChI=1S/C17H22N4OS3/c1-10-4-3-5-13(11(10)2)19-17(23)21-20-15(22)14-9-25-16(18-14)12-6-7-24-8-12/h6-11,13H,3-5H2,1-2H3,(H,20,22)(H2,19,21,23)/t10-,11+,13+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@H]([C@@H]1OCC4=CC=CC=C4)OC
InChI: InChI=1S/C27H38O6Si/c1-27(2,3)34(5,6)33-23-22-21(18-30-25(32-22)20-15-11-8-12-16-20)31-26(28-4)24(23)29-17-19-13-9-7-10-14-19/h7-16,21-26H,17-18H2,1-6H3/t21-,22-,23+,24-,25?,26-/m1/s1
SMILES: C1CNCC2=C3[C@@]14C=C[C@@H](C[C@@H]4OC3=C(C=C2)O)OCC5=CC=CC=C5
InChI: InChI=1S/C22H23NO3/c24-18-7-6-16-13-23-11-10-22-9-8-17(12-19(22)26-21(18)20(16)22)25-14-15-4-2-1-3-5-15/h1-9,17,19,23-24H,10-14H2/t17-,19-,22-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=S)C4=CC=CC=C4)C
InChI: InChI=1S/C19H20N2O2S2/c1-13-8-9-16(14(2)10-13)21-18-12-25(22,23)11-17(18)20(19(21)24)15-6-4-3-5-7-15/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m1/s1
SMILES: CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O4/c1-13(23)17(11-14-7-3-2-4-8-14)21-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-8,15-17H,9-12H2,1H3,(H,21,24)/t15-,16-,17+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4(C(CC(C5[C@]4(CCC5[C@@]6(CCC(O6)C(C)(C)O)C)C)O)[C@@]7(C3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)O
InChI: InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21?,22-,23+,24?,25-,26?,27?,28-,29+,30+,31-,32+,33+,34?,35-,36+,39+,40+,41+,42-/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)OC2=CC=CC(=C2)N)C(=O)C3=CC=NO3
InChI: InChI=1S/C19H23N3O4/c1-2-13-12-22(19(24)17-6-8-21-26-17)9-7-14(13)10-18(23)25-16-5-3-4-15(20)11-16/h3-6,8,11,13-14H,2,7,9-10,12,20H2,1H3/t13-,14-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C25H38O3/c1-15-13-22-20-8-7-18-14-19(28-17(3)27)9-11-23(18,4)21(20)10-12-24(22,5)25(15,6)16(2)26/h7,15,19-22H,8-14H2,1-6H3/t15-,19-,20-,21-,22+,23+,24+,25-/m1/s1
SMILES: COC(=O)C1=C2[C@@H]([C@H]([C@@H]([C@H](N2N=N1)CO)O)O)O
InChI: InChI=1S/C9H13N3O6/c1-18-9(17)4-5-7(15)8(16)6(14)3(2-13)12(5)11-10-4/h3,6-8,13-16H,2H2,1H3/t3-,6-,7+,8+/m1/s1
SMILES: C[C@@H]1CN2[C@@H]([C@@H](O1)C)C3(CC4=CC=CC=C42)C(=O)NC(=O)NC3=O
InChI: InChI=1S/C17H19N3O4/c1-9-8-20-12-6-4-3-5-11(12)7-17(13(20)10(2)24-9)14(21)18-16(23)19-15(17)22/h3-6,9-10,13H,7-8H2,1-2H3,(H2,18,19,21,22,23)/t9-,10+,13+/m1/s1
SMILES: C[C@H](CCC(=O)NCCN)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H46N2O3/c1-16(4-7-23(31)28-13-12-27)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(29)14-17(25)15-22(24)30/h16-22,24,29-30H,4-15,27H2,1-3H3,(H,28,31)/t16-,17+,18-,19+,20+,21+,22-,24+,25+,26-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@]2(CCC=CC2)C(=O)N1C)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO2/c1-13-15(14-9-5-3-6-10-14)20-17(16(19)18(13)2)11-7-4-8-12-17/h3-7,9-10,13,15H,8,11-12H2,1-2H3/t13-,15-,17-/m1/s1
SMILES: COC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2C=CC3)CCCO
InChI: InChI=1S/C17H21NO3/c1-21-17(20)11-7-8-16-14(10-11)12-4-2-5-13(12)15(18-16)6-3-9-19/h2,4,7-8,10,12-13,15,18-19H,3,5-6,9H2,1H3/t12-,13+,15+/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC(=O)NCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C52H75N3O10/c1-5-9-10-11-12-13-14-15-16-23-48(58)55(35-37-24-26-45-46(31-37)61-36-60-45)47-34-43(54-63-8-4)41-32-38(21-17-19-28-56)40(22-18-20-29-57)49-42-33-39(64-51(59)53-7-3)25-27-44(42)65-52(47,50(41)49)62-30-6-2/h6,24-27,31-33,38,40,47,49-50,56-57H,2,5,7-23,28-30,34-36H2,1,3-4H3,(H,53,59)/t38-,40+,47-,49+,50+,52+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4C(C)(CCC(=O)O)O)C)C)O)(C)C)O
InChI: InChI=1S/C27H40O7/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5,34)10-8-20(32)33/h14,16-18,28,30,34H,7-13H2,1-6H3,(H,32,33)/t14-,16-,17-,18-,24-,25+,26?,27-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)C)CN5CC[C@H](C5)O
InChI: InChI=1S/C32H36N2O6/c1-20-29(18-34-14-13-28(37)17-34)39-32(40-30(20)23-11-9-22(19-35)10-12-23)26-7-3-6-25(15-26)31(38)33-27-8-4-5-24(16-27)21(2)36/h3-12,15-16,20,28-30,32,35,37H,13-14,17-19H2,1-2H3,(H,33,38)/t20-,28+,29+,30+,32?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]([C@@H](ON2C3=CC=CC=C3)C(=O)[O-])C(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C23H19FN2O4/c24-16-11-13-17(14-12-16)25-22(27)19-20(15-7-3-1-4-8-15)26(30-21(19)23(28)29)18-9-5-2-6-10-18/h1-14,19-21H,(H,25,27)(H,28,29)/p-1/t19-,20+,21-/m1/s1
SMILES: CCCCCCCCC(=O)O[C@H]1C[C@@H](C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)OC(=O)CCCCCCCC)C)/C1)OC(=O)CCCCCCCC
InChI: InChI=1S/C54H92O6/c1-9-12-15-18-21-24-31-50(55)58-46-40-45(43(5)49(41-46)59-51(56)32-25-22-19-16-13-10-2)35-34-44-30-28-39-54(8)47(36-37-48(44)54)42(4)29-27-38-53(6,7)60-52(57)33-26-23-20-17-14-11-3/h34-35,42,46-49H,5,9-33,36-41H2,1-4,6-8H3/b44-34+,45-35-/t42-,46-,47-,48+,49+,54-/m1/s1
SMILES: CC1=C2[C@H](C(=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)O)NC(=O)C6=CC=CC=C6)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C45H49NO13/c1-24-29(57-41(54)33(34(49)26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)35(50)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CCC7=CC=CS7)C)C(=C3)C(=O)C8=CC=CO8)O
InChI: InChI=1S/C34H39NO5S/c1-30-11-7-22(36)19-32(30)14-15-34(24(20-32)28(37)25-6-3-17-39-25)26(30)8-12-31(2)27(34)9-13-33(31)21-35(29(38)40-33)16-10-23-5-4-18-41-23/h3-6,14-15,17-18,20,22,26-27,36H,7-13,16,19,21H2,1-2H3/t22-,26+,27+,30+,31-,32-,33+,34+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C20H27N3O4S/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-21-10-12-22(13-11-21)28(26,27)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/t17-,18-/m1/s1
SMILES: C[C@H]([C@H]([C@@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)O)C(C)C
InChI: InChI=1S/C28H48O7/c1-14(2)15(3)23(31)24(32)28(6,34)22-8-7-17-16-13-35-25(33)19-11-20(29)21(30)12-27(19,5)18(16)9-10-26(17,22)4/h14-24,29-32,34H,7-13H2,1-6H3/t15-,16-,17-,18-,19+,20-,21+,22-,23+,24-,26-,27+,28+/m0/s1
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CCC[C@H]5CO)OC(=O)C
InChI: InChI=1S/C35H42N2O7/c1-23(42-24(2)40)34(41)36-19-25-10-16-29(17-11-25)35-43-31(20-37-18-6-9-30(37)22-39)32(27-7-4-3-5-8-27)33(44-35)28-14-12-26(21-38)13-15-28/h3-5,7-8,10-17,23,30-33,35,38-39H,6,9,18-22H2,1-2H3,(H,36,41)/t23-,30-,31+,32+,33-,35?/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO4/c1-14-10-11-18-19(12-14)21(25)23(20(18)24)16-8-5-9-17(13-16)27-22(26)15-6-3-2-4-7-15/h2-9,13-14,18-19H,10-12H2,1H3/t14-,18+,19+/m0/s1
SMILES: C[C@@]12CCC3(C[C@@H]1CC[C@H]4[C@@H]2CC[C@@]5([C@@H]4CC[C@]5(C)O)C)OCCO3
InChI: InChI=1S/C22H36O3/c1-19-10-11-22(24-12-13-25-22)14-15(19)4-5-16-17(19)6-8-20(2)18(16)7-9-21(20,3)23/h15-18,23H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=C(C=C3)F)[C@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H18FN3O3/c1-11-16-17(21(24-11)14-4-2-3-5-15(14)23-20(21)28)19(27)25(18(16)26)10-12-6-8-13(22)9-7-12/h2-9,11,16-17,24H,10H2,1H3,(H,23,28)/p+1/t11-,16+,17+,21+/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC(=CC=C5)Br)C
InChI: InChI=1S/C23H21BrN4O2/c1-23(2)11-16-19(17(29)12-23)20(13-6-5-7-14(24)10-13)27-21(25-16)28-22-26-15-8-3-4-9-18(15)30-22/h3-11,19-20H,12H2,1-2H3,(H2,25,26,27,28)/t19-,20-/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)O)C
InChI: InChI=1S/C24H33N3O3/c1-16-6-5-7-17-14-19-21(22(28)24(16,17)2)18(23(29)30-19)15-26-10-12-27(13-11-26)20-8-3-4-9-25-20/h3-4,7-9,16,18-19,21-22,28H,5-6,10-15H2,1-2H3/p+2/t16-,18+,19-,21-,22-,24-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])NC(=O)[C@@H]3CSC[NH2+]3.[Cl-]
InChI: InChI=1S/C10H15N3O6S.ClH/c14-10(6-3-20-4-11-6)12-5-1-17-9-7(19-13(15)16)2-18-8(5)9;/h5-9,11H,1-4H2,(H,12,14);1H/t5-,6-,7+,8+,9+;/m0./s1
SMILES: C/C/1=C/CC[C@H]([C@H](O[C@H](C1)COCC2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H54O4Si2/c1-24-16-15-19-27(34-36(10,11)30(5,6)7)28(23-32-35(8,9)29(2,3)4)33-26(20-24)22-31-21-25-17-13-12-14-18-25/h12-14,16-18,26-28H,15,19-23H2,1-11H3/b24-16-/t26-,27-,28-/m1/s1
SMILES: C/C/1=C\C[C@H](/C(=C/[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)O)/C)O
InChI: InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-12(17)14-10(3)15(18)19-13(14)6-8/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12-,13+,14+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C19H18O8/c20-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)26-19-16(23)14(21)15(22)17(27-19)18(24)25/h1-9,14-17,19,21-23H,(H,24,25)/t14-,15-,16+,17-,19+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)[N+](=O)[O-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H23N3O11/c34-25-21(33(39)40)16-32(30(38)31-25)26-24(44-29(37)20-14-8-3-9-15-20)23(43-28(36)19-12-6-2-7-13-19)22(42-26)17-41-27(35)18-10-4-1-5-11-18/h1-16,22-24,26H,17H2,(H,31,34,38)/t22-,23-,24-,26-/m1/s1
SMILES: CCOC(=O)[C@]12C[C@@]([C@]1(NC(=O)C2=O)C(=O)OCC)(C)C=C
InChI: InChI=1S/C15H19NO6/c1-5-13(4)8-14(11(19)21-6-2)9(17)10(18)16-15(13,14)12(20)22-7-3/h5H,1,6-8H2,2-4H3,(H,16,18)/t13-,14-,15-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC(=O)NC4=CC=CC=C4)O
InChI: InChI=1S/C27H37N3O2/c1-3-29(4-2)23-15-13-21(14-16-23)26-24-12-8-9-17-27(24,32)18-19-30(26)20-25(31)28-22-10-6-5-7-11-22/h5-7,10-11,13-16,24,26,32H,3-4,8-9,12,17-20H2,1-2H3,(H,28,31)/p+1/t24-,26+,27-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=C(C=C3)CS(=O)(=O)CCO[Si](C)(C)C(C)(C)C)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C40H52N2O10SSi/c1-27-24-42(38(45)41-37(27)44)36-23-34(43)35(52-36)25-50-40(30-13-17-32(48-5)18-14-30,31-15-19-33(49-6)20-16-31)29-11-9-28(10-12-29)26-53(46,47)22-21-51-54(7,8)39(2,3)4/h9-20,24,34-36,43H,21-23,25-26H2,1-8H3,(H,41,44,45)/t34-,35+,36+/m0/s1
SMILES: CCO[C@@H]1C[C@@H]2[C@@]34CO[C@@]2([C@@H](C[C@@H]3[C@]5(CC=C[C@H]([C@@H]5C[C@H]4O1)C)C)[Se]C6=CC=CC=C6)C#N
InChI: InChI=1S/C28H35NO3Se/c1-4-30-25-15-22-27-17-31-28(22,16-29)24(33-19-10-6-5-7-11-19)14-21(27)26(3)12-8-9-18(2)20(26)13-23(27)32-25/h5-11,18,20-25H,4,12-15,17H2,1-3H3/t18-,20+,21-,22-,23-,24-,25+,26+,27-,28+/m1/s1
SMILES: CC1=NC(=O)[C@@H](NC1=O)[C@@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H26N2O9/c1-18-27(34)33-23(28(35)32-18)25-26(42-31(38)21-15-9-4-10-16-21)24(41-30(37)20-13-7-3-8-14-20)22(40-25)17-39-29(36)19-11-5-2-6-12-19/h2-16,22-26H,17H2,1H3,(H,33,34)/t22-,23+,24-,25-,26+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)N(C)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C23H37N3O2/c1-14-11-16(3)22(17(4)12-14)25-21(27)13-26(7)19(6)23(28)24-20-10-8-9-15(2)18(20)5/h11-12,15,18-20H,8-10,13H2,1-7H3,(H,24,28)(H,25,27)/t15-,18-,19+,20+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C27H29NO2/c1-21(24-15-9-4-10-16-24)28-18-17-25(19-22-11-5-2-6-12-22)26(28)27(29)30-20-23-13-7-3-8-14-23/h2-16,21,25-26H,17-20H2,1H3/t21-,25-,26-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2C=C[C@@]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)(CO)O
InChI: InChI=1S/C28H30O5/c29-21-28(30)17-16-25(31-18-22-10-4-1-5-11-22)26(32-19-23-12-6-2-7-13-23)27(28)33-20-24-14-8-3-9-15-24/h1-17,25-27,29-30H,18-21H2/t25-,26+,27-,28-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N2C(=O)SSC2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H17NO10S2/c1-5(16)22-4-8-10(23-6(2)17)11(24-7(3)18)9(12(19)25-8)15-13(20)26-27-14(15)21/h8-12,19H,4H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C(C)C)(C)C)/C=C/S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H26O4S/c1-13(2)17-14(3)16(21-18(4,5)22-17)11-12-23(19,20)15-9-7-6-8-10-15/h6-14,16-17H,1-5H3/b12-11+/t14-,16+,17-/m0/s1
SMILES: CC1=C(C=CC(=C1)F)[C@H]2CN(CC[C@@H]2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CN(C4)C(=O)C
InChI: InChI=1S/C29H32F7N3O2/c1-16-9-22(30)5-6-24(16)26-15-38(23-13-39(14-23)18(3)40)8-7-25(26)27(41)37(4)17(2)19-10-20(28(31,32)33)12-21(11-19)29(34,35)36/h5-6,9-12,17,23,25-26H,7-8,13-15H2,1-4H3/t17-,25+,26-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C18H22N2O6/c1-12-7-16(21)14(15(12)10-20(24)25)8-18(23)26-11-17(22)19-9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,19,22)/t12-,14+,15+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2C=C(C=C[C@@H]2S1)Cl)OCC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C21H27ClOS/c1-14-11-19(18-12-17(22)9-10-20(18)24-14)23-13-15-5-7-16(8-6-15)21(2,3)4/h5-10,12,14,18-20H,11,13H2,1-4H3/t14-,18+,19+,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C19H23ClN2O5/c1-12-5-3-4-8-19(12)17(24)22(18(25)21-19)10-16(23)27-11-13-9-14(20)6-7-15(13)26-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,21,25)/t12-,19-/m1/s1
SMILES: CC(C1=CC=CC=C1)N2C(=O)[C@@H]3CC[C@H]4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](CC4=O)O)O
InChI: InChI=1S/C20H23NO5/c1-10(11-5-3-2-4-6-11)21-19(25)13-8-7-12-14(22)9-15(23)18(24)16(12)17(13)20(21)26/h2-6,10,12-13,15-18,23-24H,7-9H2,1H3/t10?,12-,13-,15-,16+,17-,18-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2O[C@H](C3)O[C@H](C4=CC=CC=C4)[C@H](C5=CC=CC=C5)OCC(=O)OC(C)(C)C
InChI: InChI=1S/C32H42O5/c1-30(2,3)37-25(33)20-34-27(21-13-9-7-10-14-21)28(22-15-11-8-12-16-22)35-26-19-23-24-17-18-32(6,29(23)36-26)31(24,4)5/h7-16,23-24,26-29H,17-20H2,1-6H3/t23-,24-,26-,27+,28-,29-,32+/m1/s1
SMILES: CN(C)[C@@H]1[C@H](C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C
InChI: InChI=1S/C15H18N2O2S/c1-17(2)15-12-9-5-7-10-6-4-8-11(13(10)12)14(15)16-20(3,18)19/h4-9,14-16H,1-3H3/t14-,15-/m0/s1
SMILES: CN1C[C@@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
InChI: InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1
SMILES: C[C@@]12CC[C@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@H]([C@@]5(C)CO)O)C)C)C1CC(CC2)(C)C)C(=O)O
InChI: InChI=1S/C30H48O4/c1-25(2)13-14-26(3)15-16-30(24(33)34)19(20(26)17-25)7-8-22-27(4)11-10-23(32)28(5,18-31)21(27)9-12-29(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23-,26-,27+,28+,29-,30+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C(=NO[C@]23C4=CC=CC=C4NC3=O)C5=CC=CC=C5
InChI: InChI=1S/C22H16N2O2/c25-21-22(17-13-7-8-14-18(17)23-21)19(15-9-3-1-4-10-15)20(24-26-22)16-11-5-2-6-12-16/h1-14,19H,(H,23,25)/t19-,22-/m1/s1
SMILES: COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O
InChI: InChI=1S/C27H30O14/c1-36-16-6-14(7-17-19(16)20(30)15(8-37-17)12-2-4-13(29)5-3-12)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C2)C4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)C7=CC=CC=C7
InChI: InChI=1S/C37H35N5O9S/c1-21-10-12-28(13-11-21)52(46,47)41-16-26-14-29(25-8-6-5-7-9-25)30(15-27(26)17-41)32-33-36(39-19-38-32)42(20-40-33)37-35(50-24(4)45)34(49-23(3)44)31(51-37)18-48-22(2)43/h5-15,19-20,31,34-35,37H,16-18H2,1-4H3/t31-,34-,35-,37-/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H23FN2O3/c19-15-8-6-13(7-9-15)17(22)20-18(23)24-12-14-4-3-11-21-10-2-1-5-16(14)21/h6-9,14,16H,1-5,10-12H2,(H,20,22,23)/t14-,16+/m1/s1
SMILES: C1=C[C@@H]2C=C(C(=O)O[C@H]2C=C1)C3=CN4C=C(SC4=N3)CC5=CC(=CC=C5)C(F)(F)F
InChI: InChI=1S/C22H15F3N2O2S/c23-22(24,25)15-6-3-4-13(8-15)9-16-11-27-12-18(26-21(27)30-16)17-10-14-5-1-2-7-19(14)29-20(17)28/h1-8,10-12,14,19H,9H2/t14-,19+/m1/s1