EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@H]([C@@H]2C[C@@H]3N1[C@H](C2CO)CC4=C3NC5=CC=CC=C45)CO
InChI: InChI=1S/C19H24N2O2/c1-10-14(8-22)12-6-18-19-13(7-17(21(10)18)15(12)9-23)11-4-2-3-5-16(11)20-19/h2-5,10,12,14-15,17-18,20,22-23H,6-9H2,1H3/t10-,12-,14-,15?,17-,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C48H46O19/c1-27(49)57-25-35-37(59-28(2)50)39(60-29(3)51)41(61-30(4)52)47(62-35)66-38-36(26-58-43(53)31-17-9-5-10-18-31)63-48(67-46(56)34-23-15-8-16-24-34)42(65-45(55)33-21-13-7-14-22-33)40(38)64-44(54)32-19-11-6-12-20-32/h5-24,35-42,47-48H,25-26H2,1-4H3/t35-,36-,37+,38-,39+,40+,41-,42+,47-,48-/m1/s1
SMILES: CC1=C[C@]23C[C@H]1CC[C@H]2[C@@]4(CC[C@H]([C@]([C@H]4C[C@@H]3OC(=O)C)(C)COC(=O)C)OC(=O)C)C
InChI: InChI=1S/C26H38O6/c1-15-12-26-13-19(15)7-8-20(26)24(5)10-9-22(31-17(3)28)25(6,14-30-16(2)27)21(24)11-23(26)32-18(4)29/h12,19-23H,7-11,13-14H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26+/m1/s1
SMILES: C[C@@H]1[C@@H]2CC[C@@]2([C@]34[C@@H](C1=O)C[C@]([C@@H]3O)(CO4)C)C
InChI: InChI=1S/C15H22O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h8-10,12,17H,4-7H2,1-3H3/t8-,9+,10-,12+,13+,14+,15+/m1/s1
SMILES: C1=CC=C(C=C1)COCC2=C[C@@H]([C@@H]([C@@H]2O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C20H22O4/c21-19-17(14-23-12-15-7-3-1-4-8-15)11-18(20(19)22)24-13-16-9-5-2-6-10-16/h1-11,18-22H,12-14H2/t18-,19+,20-/m0/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)CCCO
InChI: InChI=1S/C14H20N4O5/c15-12-9-7(2-1-3-19)4-18(13(9)17-6-16-12)14-11(22)10(21)8(5-20)23-14/h4,6,8,10-11,14,19-22H,1-3,5H2,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
SMILES: C1=CC(=O)C(=CC1=O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H14O7S/c13-4-7-9(16)10(17)11(18)12(19-7)20-8-3-5(14)1-2-6(8)15/h1-3,7,9-13,16-18H,4H2/t7-,9-,10+,11-,12+/m1/s1
SMILES: COC1=CC=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O3/c1-24-17-11-5-9-14-12-7-4-8-13(12)18(20-19(14)17)15-6-2-3-10-16(15)21(22)23/h2-7,9-13,18,20H,8H2,1H3/t12-,13-,18-/m0/s1
SMILES: CCN(CC)[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC
InChI: InChI=1S/C25H29NO7/c1-5-26(6-2)23-15-10-18-17(32-12-33-18)9-14(15)21(22-16(23)11-31-25(22)28)13-7-19(29-3)24(27)20(8-13)30-4/h7-10,16,21-23,27H,5-6,11-12H2,1-4H3/t16-,21+,22-,23+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C17H22N4O2/c1-11-14-13(10-9-12-7-5-4-6-8-12)20(2)17(23)19-15(14)21(3)16(22)18-11/h4-11,13-15H,1-3H3,(H,18,22)(H,19,23)/b10-9+/t11-,13+,14+,15+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N
InChI: InChI=1S/C19H21N3O5S/c20-28(26,27)14-5-1-11(2-6-14)7-8-21-15(23)10-22-18(24)16-12-3-4-13(9-12)17(16)19(22)25/h1-6,12-13,16-17H,7-10H2,(H,21,23)(H2,20,26,27)/t12-,13+,16-,17+
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)[C@]5(CCOC5)C)C)O)F)C)F
InChI: InChI=1S/C28H35F3O6S/c1-15-9-17-18-11-20(30)19-10-16(32)5-6-25(19,3)27(18,31)21(33)12-26(17,4)28(15,23(35)38-14-29)37-22(34)24(2)7-8-36-13-24/h5-6,10,15,17-18,20-21,33H,7-9,11-14H2,1-4H3/t15-,17+,18+,20+,21+,24+,25+,26+,27+,28+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2OC(=O)CBr)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI: InChI=1S/C25H27BrO9/c1-11(27)33-14-7-24(2)13(5-6-15(24)34-17(28)8-26)18-20(14)25(3)16(10-31-4)35-23(30)12-9-32-22(19(12)25)21(18)29/h9,13-16H,5-8,10H2,1-4H3/t13-,14+,15-,16+,24-,25-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H](C(=O)C=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C19H21NO7/c1-4-26-18(22)15-11(3)9-14(21)17(19(23)27-5-2)16(15)12-7-6-8-13(10-12)20(24)25/h6-10,15-17H,4-5H2,1-3H3/t15-,16+,17-/m0/s1
SMILES: CCCCCCCCCCCC[N+](CC)(CC)COC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C.[I-]
InChI: InChI=1S/C37H64NO4.HI/c1-6-9-10-11-12-13-14-15-16-17-26-38(7-2,8-3)28-41-35(40)42-30-22-24-36(4)29(27-30)18-19-31-32-20-21-34(39)37(32,5)25-23-33(31)36;/h18,30-33H,6-17,19-28H2,1-5H3;1H/q+1;/p-1/t30-,31-,32-,33-,36-,37-;/m0./s1
SMILES: C[C@H](C[C@@H](CC(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22+,23-,24+,25+,27-/m1/s1
SMILES: B1(OC2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](C)OC
InChI: InChI=1S/C13H23BO3/c1-8(15-5)14-16-11-7-9-6-10(12(9,2)3)13(11,4)17-14/h8-11H,6-7H2,1-5H3/t8-,9-,10-,11?,13-/m0/s1
SMILES: CP(=O)(CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)CC[C@H](CNC2=CC=CC=C2)O)O
InChI: InChI=1S/C22H34NO5P/c1-29(27,28)14-8-3-2-7-11-19-20(22(26)15-21(19)25)13-12-18(24)16-23-17-9-5-4-6-10-17/h2,4-7,9-10,18-20,22-24,26H,3,8,11-16H2,1H3,(H,27,28)/b7-2-/t18-,19-,20-,22-/m1/s1
SMILES: CCC[C@@H]1CC[C@@H](C[C@H]1C)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC
InChI: InChI=1S/C26H40O2/c1-4-6-20-8-16-25(17-9-20)28-26(27)23-13-11-22(12-14-23)24-15-10-21(7-5-2)19(3)18-24/h11-14,19-21,24-25H,4-10,15-18H2,1-3H3/t19-,20?,21-,24+,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)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C37H39Cl3N2O4/c1-24-33(22-42(3)25(2)27-9-5-4-6-10-27)45-35(46-34(24)29-15-13-26(23-43)14-16-29)30-19-17-28(18-20-30)32-12-8-7-11-31(32)21-41-36(44)37(38,39)40/h4-20,24-25,33-35,43H,21-23H2,1-3H3,(H,41,44)/t24-,25-,33+,34+,35+/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H18N2O3/c1-12(23)13-8-9-19-18(11-13)16-6-3-7-17(16)20(21-19)14-4-2-5-15(10-14)22(24)25/h2-6,8-11,16-17,20-21H,7H2,1H3/t16-,17-,20+/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4CC4)C(=O)CCC5CCCC5)C(=O)NCCO)CO
InChI: InChI=1S/C29H40N2O7/c1-37-23-13-19(16-33)12-20-25-21(29(36)30-10-11-32)14-22(26(35)28(25)38-27(20)23)31(15-18-6-7-18)24(34)9-8-17-4-2-3-5-17/h12-14,17-18,22,25-26,28,32-33,35H,2-11,15-16H2,1H3,(H,30,36)/t22-,25+,26+,28+/m1/s1
SMILES: CC/C=C(/[C@H]1[C@]([C@H]2N1C([C@@H]3CC[C@H](C[C@H]3O2)C)(C)C)(C4=CC=CC=C4)O)\C5=CC=CC=C5
InChI: InChI=1S/C29H37NO2/c1-5-12-23(21-13-8-6-9-14-21)26-29(31,22-15-10-7-11-16-22)27-30(26)28(3,4)24-18-17-20(2)19-25(24)32-27/h6-16,20,24-27,31H,5,17-19H2,1-4H3/b23-12+/t20-,24-,25-,26+,27+,29+/m1/s1
SMILES: CN(C)C(=O)C1=NOC(=C1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OCC8=CC=C(C=C8)OC
InChI: InChI=1S/C48H43N7O8S2/c1-54(2)43(57)37-26-36(63-52-37)25-22-31-28-64-45-40(44(58)55(45)41(31)46(59)62-27-30-20-23-35(60-3)24-21-30)50-42(56)39(53-61-4)38-29-65-47(49-38)51-48(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-26,29,40,45H,27-28H2,1-4H3,(H,49,51)(H,50,56)/b25-22-,53-39-/t40-,45-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC[C@@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O)C(C)C
InChI: InChI=1S/C23H37FN2O2/c1-17(2)22-9-4-18(3)14-23(22)28-16-21(27)15-25-10-12-26(13-11-25)20-7-5-19(24)6-8-20/h5-8,17-18,21-23,27H,4,9-16H2,1-3H3/p+1/t18-,21-,22-,23-/m1/s1
SMILES: CC(C)C1CC[C@H]2C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C.C1=CC=C2C(=C1)C(=O)OC2=O.C(CO)O
InChI: InChI=1S/C20H36O.C8H4O3.C2H6O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;9-7-5-3-1-2-4-6(5)8(10)11-7;3-1-2-4/h14-18,21H,5-13H2,1-4H3;1-4H;3-4H,1-2H2/t15?,16?,17-,18-,19-,20+;;/m0../s1
SMILES: CC1=CC(=NN1CCO)C(=O)C[C@@H]2[C@H](C(=O)N2C(C(=O)OCC=C)O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H39N3O7Si/c1-9-12-33-23(32)22(31)27-18(14-19(29)17-13-15(2)26(25-17)10-11-28)20(21(27)30)16(3)34-35(7,8)24(4,5)6/h9,13,16,18,20,22,28,31H,1,10-12,14H2,2-8H3/t16-,18-,20-,22?/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(=C(C=C6)OC)O)C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C36H31Cl2N3O9/c1-48-20-8-5-18(6-9-20)36-24(32(44)41(34(36)46)39-26-12-7-19(37)15-25(26)38)16-23-21(30(36)17-4-13-28(49-2)27(42)14-17)10-11-22-29(23)33(45)40(31(22)43)35(47)50-3/h4-10,12-15,22-24,29-30,39,42H,11,16H2,1-3H3/t22-,23+,24-,29-,30-,36+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C22H27NO3S/c1-15-6-5-9-20(16(15)2)23-21(24)13-26-22(25)14-27-19-11-10-17-7-3-4-8-18(17)12-19/h3-4,7-8,10-12,15-16,20H,5-6,9,13-14H2,1-2H3,(H,23,24)/t15-,16-,20-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@]1(CO[C@H]2CCC3=CC=CC=C3)CO)C)C
InChI: InChI=1S/C20H28O2/c1-14-11-15(2)20(12-21)13-22-18(19(14)16(20)3)10-9-17-7-5-4-6-8-17/h4-8,11,15-16,18-19,21H,9-10,12-13H2,1-3H3/t15-,16-,18+,19+,20-/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=O)CC5=CC=C(C=C5)N)N)O)O
InChI: InChI=1S/C33H42N10O6/c1-2-36-31(48)28-26(46)27(47)32(49-28)43-18-40-25-29(35)41-33(42-30(25)43)39-14-13-20-5-3-19(4-6-20)9-12-23(44)37-15-16-38-24(45)17-21-7-10-22(34)11-8-21/h3-8,10-11,18,26-28,32,46-47H,2,9,12-17,34H2,1H3,(H,36,48)(H,37,44)(H,38,45)(H3,35,39,41,42)/t26-,27+,28-,32+/m0/s1
SMILES: C1COC2=C(O1)C=CC(=C2)[C@H]3[C@H](O3)C(=O)C4=CC=CC=C4OCC5=CC=CC=C5
InChI: InChI=1S/C24H20O5/c25-22(18-8-4-5-9-19(18)28-15-16-6-2-1-3-7-16)24-23(29-24)17-10-11-20-21(14-17)27-13-12-26-20/h1-11,14,23-24H,12-13,15H2/t23-,24+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4
InChI: InChI=1S/C21H24N4O4/c1-2-28-20(27)17-18(16-9-6-14-29-16)22-21(23-19(17)26)25-12-10-24(11-13-25)15-7-4-3-5-8-15/h3-9,14,17-18H,2,10-13H2,1H3,(H,22,23,26)/t17-,18-/m1/s1
SMILES: C[C@H]1CC(=O)C2=C(CC[C@H]3[C@@H](C(=O)O[C@@H]3[C@@H]12)C)C
InChI: InChI=1S/C15H20O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h8-10,13-14H,4-6H2,1-3H3/t8-,9-,10-,13-,14-/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@@H]2[C@@H](O[C@@H](C23[C@H](C1)[C@@]([C@H](C[C@H]3O)C)(C)C/C=C(\C)/C=C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9-11,18,21-24,26-27,32H,1,12-15H2,2-8H3/b16-11+,17-10+/t18-,21-,22+,23+,24+,26+,27-,28-,29?/m0/s1
SMILES: CC[Si](CC)(CC)O[C@]1(CCCC[C@H]1CC2=CC(C(=O)C=C2)(OC)OC(=O)C)C
InChI: InChI=1S/C23H38O5Si/c1-7-29(8-2,9-3)28-22(5)15-11-10-12-20(22)16-19-13-14-21(25)23(17-19,26-6)27-18(4)24/h13-14,17,20H,7-12,15-16H2,1-6H3/t20-,22-,23?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C18H24N2O4/c1-12-5-3-4-6-16(12)19-18(23)20-17(22)11-24-15-9-7-14(8-10-15)13(2)21/h7-10,12,16H,3-6,11H2,1-2H3,(H2,19,20,22,23)/t12-,16-/m1/s1
SMILES: COC(=O)/C=C/C1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C26H27NO7/c1-33-22(29)9-6-15-2-4-16(5-3-15)12-20-19-8-7-18(13-17(19)10-11-27-20)26-25(32)24(31)23(30)21(14-28)34-26/h2-11,13,21,23-26,28,30-32H,12,14H2,1H3/b9-6+/t21-,23-,24+,25-,26+/m1/s1
SMILES: CN(C)CC1C[C@@H]2[C@H](O1)C3=C(C=CC(=C3)F)OC4=CC=CC=C24
InChI: InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13?,15-,19-/m0/s1
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)[C@@H](CC3=CC=CC=C3)CC(=O)ON4C(=O)C5[C@@H]6C[C@H](C5C4=O)C=C6
InChI: InChI=1S/C28H32N2O5/c31-23(35-30-27(33)24-18-10-11-19(13-18)25(24)28(30)34)14-22(12-17-6-2-1-3-7-17)26(32)29-15-20-8-4-5-9-21(20)16-29/h1-3,6-7,10-11,18-22,24-25H,4-5,8-9,12-16H2/t18-,19+,20-,21+,22-,24?,25?/m0/s1
SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](S3)C(=O)NCC4CC4)O)O
InChI: InChI=1S/C15H19ClN6O3S/c1-17-11-7-12(21-15(16)20-11)22(5-19-7)14-9(24)8(23)10(26-14)13(25)18-4-6-2-3-6/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,18,25)(H,17,20,21)/t8-,9+,10-,14+/m0/s1
SMILES: CC/C=C/[C@@H]1CO[C@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H22O2/c1-2-3-14-18-15-21-19(16-10-6-4-7-11-16)20(22-18)17-12-8-5-9-13-17/h3-14,18-20H,2,15H2,1H3/b14-3+/t18-,19+,20+/m1/s1
SMILES: CC1=NOC(=C1)CN([C@@H]2[C@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4
InChI: InChI=1S/C23H23N3O3/c1-15-11-18(29-25-15)14-26(17-7-5-4-6-8-17)21-19-12-16(13-24)9-10-20(19)28-23(2,3)22(21)27/h4-12,21-22,27H,14H2,1-3H3/t21-,22+/m0/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C46H57FN2O9/c1-4-24-57-46-42(49(2)45(52)55-26-25-54-30-32-14-6-5-7-15-32)29-40(48-53-3)37-27-33(16-10-12-22-50)36(18-11-13-23-51)43(44(37)46)38-28-35(20-21-41(38)58-46)56-31-34-17-8-9-19-39(34)47/h4-9,14-15,17,19-21,27-28,33,36,42-44,50-51H,1,10-13,16,18,22-26,29-31H2,2-3H3/t33-,36+,42-,43+,44+,46+/m0/s1
SMILES: C[C@H]1CCC[C@@H](N1C(=O)OC(C)(C)C)C#C[C@H]2[C@@H]3CCCC[C@H]3C[C@@H]4[C@H]2[C@@H](OC4=O)C
InChI: InChI=1S/C26H39NO4/c1-16-9-8-11-19(27(16)25(29)31-26(3,4)5)13-14-21-20-12-7-6-10-18(20)15-22-23(21)17(2)30-24(22)28/h16-23H,6-12,15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23-/m0/s1
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2C[C@H]3C[C@H]2C=C3
InChI: InChI=1S/C16H20N2O3S/c1-18(2)22(20,21)14-7-5-13(6-8-14)17-16(19)15-10-11-3-4-12(15)9-11/h3-8,11-12,15H,9-10H2,1-2H3,(H,17,19)/t11-,12-,15+/m1/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=C(C=CC(=C7)Br)O)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C32H26Br2N2O6/c33-16-1-8-25(37)22(13-16)27-19-6-7-20-28(21(19)14-23-29(27)26(38)15-24(34)30(23)39)32(41)36(31(20)40)18-4-2-17(3-5-18)35-9-11-42-12-10-35/h1-6,8,13,15,20-21,27-28,37H,7,9-12,14H2/t20-,21+,27+,28-/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=C(C(=CC=C8)F)O)C(=O)N(C7=O)CC9=CC=CS9)C
InChI: InChI=1S/C39H32ClFN4O5S2/c1-18-24-14-19(40)9-12-29(24)52-34(18)28-16-30(43(3)42-28)45-36(48)26-15-25-21(32(39(26,2)38(45)50)23-7-4-8-27(41)33(23)46)10-11-22-31(25)37(49)44(35(22)47)17-20-6-5-13-51-20/h4-10,12-14,16,22,25-26,31-32,46H,11,15,17H2,1-3H3/t22-,25+,26-,31-,32+,39+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC(=CC=C5)C(F)(F)F)C)C)NC(=O)N2)C
InChI: InChI=1S/C43H57F3N4O10/c1-11-32-42(8)36(47-40(55)48-42)24(4)33(51)22(2)21-41(7,56-17-13-16-29-20-30(49-60-29)27-14-12-15-28(19-27)43(44,45)46)37(25(5)34(52)26(6)38(54)58-32)59-39-35(53)31(50(9)10)18-23(3)57-39/h12,14-15,19-20,22-26,31-32,35-37,39,53H,11,17-18,21H2,1-10H3,(H2,47,48,55)/t22-,23-,24+,25+,26-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: COC1=C(C=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2N=[N+]=[N-])O)OCC3=CC(=C(C=C3)OC)OC)COCC4=CC=CC=C4)OC
InChI: InChI=1S/C31H37N3O8/c1-36-24-12-10-21(14-26(24)38-3)17-41-30-23(19-40-16-20-8-6-5-7-9-20)31(29(35)28(30)33-34-32)42-18-22-11-13-25(37-2)27(15-22)39-4/h5-15,23,28-31,35H,16-19H2,1-4H3/t23-,28+,29+,30-,31+/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@@H]3C[C@H]4[C@@H]([C@@H]3CC(=O)[C@H]2C1)CC[C@@H]5[C@@H]4CN6C[C@H](CC[C@@H]6[C@@]5(C)O)C)C
InChI: InChI=1S/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18-,19-,20-,21+,22+,23+,24+,26+,27+,28-/m0/s1
SMILES: CCCCCCCCOC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)CC[C@@H](O3)C4=CC=C(C=C4)OC(F)(F)F
InChI: InChI=1S/C28H35F3O5/c1-2-3-4-5-6-7-18-32-22-12-10-21(11-13-22)27-33-19-26-25(35-27)17-16-24(34-26)20-8-14-23(15-9-20)36-28(29,30)31/h8-15,24-27H,2-7,16-19H2,1H3/t24-,25+,26-,27-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC=C7OC)O)C8=CC=CC=C8)C9=CC(=CC=C9)Cl)OC)OC
InChI: InChI=1S/C44H39ClN6O9/c1-47-32-23-36(60-4)35(59-3)22-30(32)46-29(40(47)54)17-18-48-42(56)49-19-16-27-31(51(49)43(48)57)21-28-39(53)50(26-13-8-12-25(45)20-26)41(55)44(28,24-10-6-5-7-11-24)38(27)37-33(52)14-9-15-34(37)58-2/h5-16,20,22-23,28,31,38,52H,17-19,21H2,1-4H3/t28-,31+,38+,44+/m0/s1
SMILES: C/C=C(\C(=O)O[C@H]1[C@]2([C@@H](C[C@]3(C1=C(C(=O)O3)C)[C@@]45OC(=O)C(=C4[C@H]([C@]6([C@@H](C5)CC[C@@H]([C@@H]6C)O)C)OC(=O)/C(=C\C)/C)C)CC[C@@H]([C@@H]2C)O)C)/C
InChI: InChI=1S/C40H54O10/c1-11-19(3)33(43)47-31-29-21(5)35(45)49-39(29,17-25-13-15-27(41)23(7)37(25,31)9)40-18-26-14-16-28(42)24(8)38(26,10)32(48-34(44)20(4)12-2)30(40)22(6)36(46)50-40/h11-12,23-28,31-32,41-42H,13-18H2,1-10H3/b19-11-,20-12-/t23-,24-,25+,26+,27-,28-,31+,32+,37+,38+,39-,40-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C
InChI: InChI=1S/C20H25N3OS/c1-14-8-6-7-11-17(14)22-19(24)13-25-20-21-15(2)12-18(23-20)16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,22,24)/t14-,17+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@]3(C/C(=C\[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)/[C@H](C[C@@H]3O)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)O
InChI: InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](OC(O1)C2=CC=CC=C2)CO
InChI: InChI=1S/C17H28O4Si/c1-17(2,3)22(4,5)19-12-15-14(11-18)20-16(21-15)13-9-7-6-8-10-13/h6-10,14-16,18H,11-12H2,1-5H3/t14-,15-,16?/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC3=CC(=O)N4C=CSC4=N3
InChI: InChI=1S/C17H17N3O5S/c21-13-7-10(18-17-19(13)5-6-26-17)9-25-14(22)8-20-15(23)11-3-1-2-4-12(11)16(20)24/h5-7,11-12H,1-4,8-9H2/t11-,12-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=O)CN1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)[C@H](C6=CC=CC=C6Br)O
InChI: InChI=1S/C32H26BrNO4/c1-38-31(37)29-28(30(36)23-15-7-10-18-26(23)33)27(35)19-34(29)32(20-11-3-2-4-12-20)24-16-8-5-13-21(24)22-14-6-9-17-25(22)32/h2-18,28-30,36H,19H2,1H3/t28-,29-,30-/m0/s1
SMILES: CC(C)N[C@@H]1CCC[C@@H]([C@H]1O)OC2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C17H26N2O3/c1-11(2)18-15-5-4-6-16(17(15)21)22-14-9-7-13(8-10-14)19-12(3)20/h7-11,15-18,21H,4-6H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1
SMILES: CC(C)CCCC(C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)C=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.N
InChI: InChI=1S/C44H57Cl2NO7.H3N/c1-23(2)7-6-8-24(3)33-11-12-34-29-10-9-27-21-28(13-15-43(27,4)35(29)14-16-44(33,34)5)47-38(48)22-30(25-17-31(41(51)52)39(49)36(45)19-25)26-18-32(42(53)54)40(50)37(46)20-26;/h17-20,22-24,27-29,33-35,49-50H,6-16,21H2,1-5H3,(H,47,48)(H,51,52)(H,53,54);1H3/t24?,27-,28+,29?,33?,34?,35?,43-,44+;/m0./s1
SMILES: CCO[C@]1([C@@H](CC(O1)OC)N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C23H27NO5/c1-4-27-23(2)18(15-19(26-3)29-23)24-20(16-11-7-5-8-12-16)21(28-22(24)25)17-13-9-6-10-14-17/h5-14,18-21H,4,15H2,1-3H3/t18-,19?,20-,21+,23-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@]1(C)[C@@H]([C@H]2COC3(O2)CCCCC3)OCOC)C(=O)OC)OC(=O)C)OCOC
InChI: InChI=1S/C25H41NO12/c1-15(27)26-21-19(33-13-30-4)18(36-16(2)28)20(23(29)32-6)38-24(21,3)22(34-14-31-5)17-12-35-25(37-17)10-8-7-9-11-25/h17-22H,7-14H2,1-6H3,(H,26,27)/t17-,18+,19+,20+,21-,22-,24-/m1/s1
SMILES: C1=CC=C(C=C1)P(=O)([C@H]2[C@@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H32O2P2/c41-43(29-17-5-1-6-18-29,30-19-7-2-8-20-30)39-37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(39)44(42,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-40H/t37?,38?,39-,40-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)OCC(C)(C)C
InChI: InChI=1S/C46H64N4O11/c1-7-22-49(44(54)57-30-45(4,5)6)40-28-38(48-59-29-31-16-18-33(19-17-31)50(55)56)36-26-32(14-10-12-23-51)35(15-11-13-24-52)41-37-27-34(60-43(53)47-9-3)20-21-39(37)61-46(40,42(36)41)58-25-8-2/h8,16-21,26-27,32,35,40-42,51-52H,2,7,9-15,22-25,28-30H2,1,3-6H3,(H,47,53)/t32-,35+,40-,41+,42+,46+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](O2)C(=O)[C@@H]3[C@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C17H14O3/c18-13(16-14(19-16)11-7-3-1-4-8-11)17-15(20-17)12-9-5-2-6-10-12/h1-10,14-17H/t14-,15+,16-,17+
SMILES: CC(=O)C1=NN2[C@H]([C@@]1(CCCN3CCOCC3)C4=CC=CC=C4)COC5=C2C=C(C=C5)F
InChI: InChI=1S/C25H28FN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)CCCCO)CCCCO)N(CC8=CC=CC9=CC=CC=C98)C(=O)C1CC1
InChI: InChI=1S/C61H63N3O9/c1-2-35-70-61-57(63(60(67)45-23-24-45)39-47-18-12-17-44-15-6-7-19-51(44)47)38-55(62-71-40-41-21-27-48(28-22-41)64(68)69)53-36-46(16-8-10-33-65)52(20-9-11-34-66)58(59(53)61)54-37-50(31-32-56(54)73-61)72-49-29-25-43(26-30-49)42-13-4-3-5-14-42/h2-7,12-15,17-19,21-22,25-32,36-37,45-46,52,57-59,65-66H,1,8-11,16,20,23-24,33-35,38-40H2/t46-,52+,57-,58+,59+,61+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2CC=CC(=O)[C@]1(C=CC=C2)O
InChI: InChI=1S/C17H26O3Si/c1-16(2,3)21(4,5)20-15-13-9-6-7-12-17(15,19)14(18)11-8-10-13/h6-9,11-13,15,19H,10H2,1-5H3/t13-,15+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)CC(=O)C)C)O)CO)O)O
InChI: InChI=1S/C27H28O10/c1-12-4-6-15(7-5-12)27(34)37-26-23(33)22(32)19(11-28)36-25(26)21-17(30)8-13(2)20-18(31)10-16(9-14(3)29)35-24(20)21/h4-8,10,19,22-23,25-26,28,30,32-33H,9,11H2,1-3H3/t19-,22-,23+,25+,26-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)NCCS
InChI: InChI=1S/C18H24N4O5S/c1-8-12(20-4-5-28)15(24)11-9(7-27-17(19)25)18(26-3)16-10(21(16)2)6-22(18)13(11)14(8)23/h9-10,16,20,28H,4-7H2,1-3H3,(H2,19,25)/t9-,10+,16+,18-,21?/m1/s1
SMILES: COC1=CC(=C2C(=C1)O[C@@H]([C@@H](C2=O)O)C3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,16-19,21H,1-2H3/t16-,17-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)N[C@H](CC(=O)[O-])C(=O)N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)O)O
InChI: InChI=1S/C18H20F3N3O8S/c19-18(20,21)9-2-1-3-10(6-9)33(31,32)24-11-4-8(5-13(25)15(11)28)17(30)23-12(16(22)29)7-14(26)27/h1-4,6,11-13,15,24-25,28H,5,7H2,(H2,22,29)(H,23,30)(H,26,27)/p-1/t11-,12-,13-,15-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]2C(=CC[C@]1([C@@]3([C@]2(CCC3)C)C)C)C=O
InChI: InChI=1S/C17H24O3/c1-11(19)20-14-13-12(10-18)6-9-16(14,3)17(4)8-5-7-15(13,17)2/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14-,15-,16+,17-/m0/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O
InChI: InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21?,23+,24-/m1/s1
SMILES: CC1=CC2=C(C(=C1)OC)C3=C(C=C(C=C3C)OC)O[C@@H]([C@H](O2)COCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C34H36O6/c1-23-15-28(36-4)34-29(16-23)39-31(21-37-19-25-11-7-5-8-12-25)32(22-38-20-26-13-9-6-10-14-26)40-30-18-27(35-3)17-24(2)33(30)34/h5-18,31-32H,19-22H2,1-4H3/t31-,32-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].C1CC[C@H]([C@@H](C1)N)N.[Pt+2]
InChI: InChI=1S/2C14H28O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;/q;;;+2/p-2/t;;5-,6-;/m..1./s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)CC4=NC5=C(N4)C(=NC(=N5)N)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C42H43N5O7/c1-28(48)53-39-37(50-24-30-16-8-3-9-17-30)33(22-35-44-36-40(45-35)46-42(43)47-41(36)52-26-32-20-12-5-13-21-32)54-34(27-49-23-29-14-6-2-7-15-29)38(39)51-25-31-18-10-4-11-19-31/h2-21,33-34,37-39H,22-27H2,1H3,(H3,43,44,45,46,47)/t33-,34-,37-,38-,39-/m1/s1
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)O
InChI: InChI=1S/C25H23N3O3/c26-20-7-3-4-8-21(20)27-25(31)17-12-9-16(10-13-17)11-14-23(30)28-24-19-6-2-1-5-18(19)15-22(24)29/h1-14,22,24,29H,15,26H2,(H,27,31)(H,28,30)/b14-11+/t22-,24+/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H28N2O5/c1-13(2)15-8-10-16(11-9-15)23-20(26)14(3)29-19(25)12-24-21(27)17-6-4-5-7-18(17)22(24)28/h8-11,13-14,17-18H,4-7,12H2,1-3H3,(H,23,26)/t14-,17-,18-/m0/s1
SMILES: CCCCN1CC[C@]([C@@H](C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C22H27NO2/c1-2-3-15-23-16-14-22(25,19-12-8-5-9-13-19)20(17-23)21(24)18-10-6-4-7-11-18/h4-13,20,25H,2-3,14-17H2,1H3/t20-,22+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OC3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C16H13Cl2NO4/c17-11-6-3-7-12(14(11)18)23-13(20)8-19-15(21)9-4-1-2-5-10(9)16(19)22/h1-3,6-7,9-10H,4-5,8H2/t9-,10-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H20N4O6/c1-11-4-2-3-5-14(11)21-17(25)16(24)20(18(21)26)10-15(23)19-12-6-8-13(9-7-12)22(27)28/h6-9,11,14H,2-5,10H2,1H3,(H,19,23)/t11-,14-/m0/s1