EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]1([C@@H](OC(C1O)OP(=O)(NCC(=O)OC)OC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N(C)NS(=O)(=O)C)O
InChI: InChI=1S/C21H28N7O10PS/c1-21(31)16(30)19(38-39(32,25-10-14(29)35-3)37-13-8-6-5-7-9-13)36-20(21)28-12-24-15-17(22-11-23-18(15)28)27(2)26-40(4,33)34/h5-9,11-12,16,19-20,26,30-31H,10H2,1-4H3,(H,25,32)/t16?,19?,20-,21-,39?/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O
InChI: InChI=1S/C46H36Cl2F3N5O6/c1-2-62-37-20-24(8-19-36(37)57)39-31-17-18-32-38(43(60)55(41(32)58)30-15-13-29(14-16-30)53-28-6-4-3-5-7-28)33(31)22-34-42(59)56(44(61)45(34,39)25-9-11-27(47)12-10-25)54-40-35(48)21-26(23-52-40)46(49,50)51/h3-17,19-21,23,32-34,38-39,53,57H,2,18,22H2,1H3,(H,52,54)/t32-,33+,34-,38-,39-,45+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OCC2=COC=C2COC3[C@@H]([C@H]([C@H]([C@H](O3)C)O)O)O)O)O)O
InChI: InChI=1S/C18H28O11/c1-7-11(19)13(21)15(23)17(28-7)26-5-9-3-25-4-10(9)6-27-18-16(24)14(22)12(20)8(2)29-18/h3-4,7-8,11-24H,5-6H2,1-2H3/t7-,8-,11+,12+,13+,14+,15-,16-,17?,18?/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)N8CCOCC8
InChI: InChI=1S/C38H30Cl2F5N3O8/c1-54-22-13-16(14-23(55-2)32(22)49)25-19-7-8-20-24(34(51)47(33(20)50)18-5-3-17(4-6-18)46-9-11-56-12-10-46)21(19)15-37(39)35(52)48(36(53)38(25,37)40)31-29(44)27(42)26(41)28(43)30(31)45/h3-7,13-14,20-21,24-25,49H,8-12,15H2,1-2H3/t20-,21+,24-,25-,37+,38-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)N(C3=O)C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C57H52N2O13/c1-38-47(65-34-39-20-8-2-9-21-39)49(66-35-40-22-10-3-11-23-40)51(67-36-41-24-12-4-13-25-41)56(69-38)68-37-45-48(71-54(62)43-28-16-6-17-29-43)50(72-55(63)44-30-18-7-19-31-44)53(70-45)58-33-32-46(60)59(57(58)64)52(61)42-26-14-5-15-27-42/h2-33,38,45,47-51,53,56H,34-37H2,1H3/t38-,45+,47-,48+,49+,50+,51+,53+,56-/m0/s1
SMILES: C1CC1CN2CC[C@@]34[C@@H]5C(=O)CC[C@@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI: InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19-,20+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14-,16-,17-,18+,22-,23+,24+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C20H28N2O2/c1-3-15-8-10-17(11-9-15)22-13-16(12-19(22)23)20(24)21-18-7-5-4-6-14(18)2/h8-11,14,16,18H,3-7,12-13H2,1-2H3,(H,21,24)/t14-,16-,18+/m0/s1
SMILES: CCOC(=O)C(=C)[C@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H30O14/c1-8-29-20(28)10(2)21(34-15(7)27)36-22-19(33-14(6)26)18(32-13(5)25)17(31-12(4)24)16(35-22)9-30-11(3)23/h16-19,21-22H,2,8-9H2,1,3-7H3/t16-,17-,18+,19-,21+,22+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)CSC4=NC5=C(N4CC6=CC=CC=C6Cl)C(=O)N(C(=O)N5C)C
InChI: InChI=1S/C29H31ClN6O3S/c1-17-9-10-22-19(13-17)20-15-32(2)12-11-23(20)36(22)24(37)16-40-28-31-26-25(27(38)34(4)29(39)33(26)3)35(28)14-18-7-5-6-8-21(18)30/h5-10,13,20,23H,11-12,14-16H2,1-4H3/t20-,23-/m0/s1
SMILES: CCCNC1=NNC2=C1C=C(C=C2)S(=O)(=O)N(C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC4CO[C@@H]5[C@H]4CCO5)O)CC(C)C
InChI: InChI=1S/C31H43N5O7S/c1-4-13-32-29-24-16-22(10-11-25(24)34-35-29)44(39,40)36(17-20(2)3)18-27(37)26(15-21-8-6-5-7-9-21)33-31(38)43-28-19-42-30-23(28)12-14-41-30/h5-11,16,20,23,26-28,30,37H,4,12-15,17-19H2,1-3H3,(H,33,38)(H2,32,34,35)/t23-,26-,27+,28?,30+/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H]1[C@@H]([C@H]2OC3=O)I)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C14H12ClIO2/c15-7-3-1-2-6(4-7)10-8-5-9-11(10)14(17)18-13(9)12(8)16/h1-4,8-13H,5H2/t8-,9+,10+,11+,12-,13-/m0/s1
SMILES: CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)N(C)C)C3=CC(=C(C=C3)F)Cl)C4=C(C=C(C=C4)Cl)NC2=O
InChI: InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-19-25(15-8-7-14(26)11-18(15)29-23(25)33)20(21(30-19)22(32)31(4)5)13-6-9-17(28)16(27)10-13/h6-11,19-21,30H,12H2,1-5H3,(H,29,33)/t19-,20+,21-,25+/m1/s1
SMILES: C[C@H]1[C@@H](OC(N1C)C2=C(N=C(C=C2)N(CC3=CC=CC=C3)C(C)C)/C=C/C(=O)OC(C)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C33H41N3O3/c1-23(2)36(22-25-14-10-8-11-15-25)29-20-18-27(28(34-29)19-21-30(37)39-33(4,5)6)32-35(7)24(3)31(38-32)26-16-12-9-13-17-26/h8-21,23-24,31-32H,22H2,1-7H3/b21-19+/t24-,31+,32?/m0/s1
SMILES: C[C@@H]1C[C@]([C@H](CN1S(=O)(=O)C2=CC=CC=C2)C)(O)P(=O)(OC)OC
InChI: InChI=1S/C15H24NO6PS/c1-12-11-16(24(19,20)14-8-6-5-7-9-14)13(2)10-15(12,17)23(18,21-3)22-4/h5-9,12-13,17H,10-11H2,1-4H3/t12-,13+,15-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O)N.[Na+].[Na+]
InChI: InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H17NO7S/c1-6-10(19-7(2)15)11(20-8(3)16)12(21-9(4)17)13(18-6)14-5-22/h6,10-13H,1-4H3/t6-,10-,11+,12+,13-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)COC4=CC=C(C=C4)OC)C)[C@H](C)C(=O)N5CCOCC5)O
InChI: InChI=1S/C28H38N2O5S/c1-17(27(32)30-11-13-34-14-12-30)21-9-10-28(3)15-22-25(18(2)24(28)26(21)31)29-23(36-22)16-35-20-7-5-19(33-4)6-8-20/h5-8,17-18,21,24,26,31H,9-16H2,1-4H3/t17-,18-,21-,24+,26-,28-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@]2(C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F)CC(=O)OC(C)(C)C)C(C)C
InChI: InChI=1S/C33H38BrF2NO6/c1-18(2)23-11-7-19(3)13-27(23)42-31(41)33(16-28(38)43-32(4,5)6)25-15-22(35)10-12-24(25)29(39)37(30(33)40)17-20-8-9-21(34)14-26(20)36/h8-10,12,14-15,18-19,23,27H,7,11,13,16-17H2,1-6H3/t19-,23+,27-,33+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/t16-,19+,21-/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4Cl)O)O
InChI: InChI=1S/C19H19ClN6O5/c1-2-21-18(30)14-12(27)13(28)19(31-14)26-8-24-11-15(22-7-23-16(11)26)25-17(29)9-5-3-4-6-10(9)20/h3-8,12-14,19,27-28H,2H2,1H3,(H,21,30)(H,22,23,25,29)/t12-,13+,14-,19+/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2=CC(=O)C4=CC(=O)CC[C@@]43C)O)C)O
InChI: InChI=1S/C28H40O4/c1-17(2)18(3)7-8-19(4)21-10-12-27(31)24-16-23(30)22-15-20(29)9-11-25(22,5)28(24,32)14-13-26(21,27)6/h7-8,15-19,21,31-32H,9-14H2,1-6H3/b8-7+/t18-,19+,21+,25-,26+,27+,28+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI: InChI=1S/C51H94N2O16/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(57)37(53-42(60)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-66-49-46(63)48(45(62)41(34-55)67-49)69-51(50(64)65)32-39(58)43(52-36(3)56)47(68-51)44(61)40(59)33-54/h28,30,37-41,43-49,54-55,57-59,61-63H,4-27,29,31-35H2,1-3H3,(H,52,56)(H,53,60)(H,64,65)/b30-28+/t37-,38+,39-,40+,41+,43+,44+,45-,46+,47+,48-,49+,51-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C)CCC(=O)N
InChI: InChI=1S/C16H27N5O2S/c1-10-5-4-6-12(11(10)2)18-15(23)9-24-16-20-19-14(21(16)3)8-7-13(17)22/h10-12H,4-9H2,1-3H3,(H2,17,22)(H,18,23)/t10-,11+,12-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CSC5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C38H39NO8S/c1-24-33(23-48-32-18-16-29(17-19-32)37(44)45)46-38(47-36(24)28-10-8-25(22-40)9-11-28)30-14-12-27(13-15-30)31-5-2-4-26(20-31)21-39-34(41)6-3-7-35(42)43/h2,4-5,8-20,24,33,36,38,40H,3,6-7,21-23H2,1H3,(H,39,41)(H,42,43)(H,44,45)/t24-,33+,36+,38+/m1/s1
SMILES: CCC(=O)NC1=C(C=CC(=C1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)O)O)NCCC7=CC=CC=C7OC
InChI: InChI=1S/C40H42N8O6/c1-3-33(49)47-30-19-26(15-16-29(30)41-18-17-25-10-5-7-14-31(25)53-2)39(52)43-21-32-35(50)36(51)40(54-32)48-23-46-34-37(44-22-45-38(34)48)42-20-27-12-8-11-24-9-4-6-13-28(24)27/h4-16,19,22-23,32,35-36,40-41,50-51H,3,17-18,20-21H2,1-2H3,(H,43,52)(H,47,49)(H,42,44,45)/t32-,35-,36-,40-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=CC(=C(C(=C6Br)Br)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)CC
InChI: InChI=1S/C37H34Br2N2O6/c1-4-18-6-10-20(11-7-18)40-34(43)23-15-14-22-24(29(23)36(40)45)16-26-30(28(22)25-17-27(47-3)33(42)32(39)31(25)38)37(46)41(35(26)44)21-12-8-19(5-2)9-13-21/h6-14,17,23-24,26,28-30,42H,4-5,15-16H2,1-3H3/t23-,24+,26+,28+,29-,30+/m0/s1
SMILES: CC1(O[C@H]2C[C@H](/C=C\C(=O)C[C@H]2O1)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C27H34O4Si/c1-26(2,3)32(22-12-8-6-9-13-22,23-14-10-7-11-15-23)31-21-17-16-20(28)18-24-25(19-21)30-27(4,5)29-24/h6-17,21,24-25H,18-19H2,1-5H3/b17-16-/t21-,24+,25-/m0/s1
SMILES: C1C=CC[C@@]23[C@@]1([C@H]4[C@@H]2[C@H]5C[C@@H]4C=C5)S(=O)(=O)C6=CC=CC=C6S3(=O)=O
InChI: InChI=1S/C19H18O4S2/c20-24(21)14-5-1-2-6-15(14)25(22,23)19-10-4-3-9-18(19,24)16-12-7-8-13(11-12)17(16)19/h1-8,12-13,16-17H,9-11H2/t12-,13+,16+,17-,18+,19-
SMILES: C[C@@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H20N2O5/c1-21(20(27)28-2)16-15(17(22-21)12-8-10-14(24)11-9-12)18(25)23(19(16)26)13-6-4-3-5-7-13/h3-11,15-17,22,24H,1-2H3/t15-,16-,17-,21+/m0/s1
SMILES: C=C1[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H24N2O2/c1-20-27(29(33)31-25-16-12-23(13-17-25)21-8-4-2-5-9-21)28(20)30(34)32-26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,27-28H,1H2,(H,31,33)(H,32,34)/t27-,28+
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H32N4O3/c1-16-6-5-7-17(2)21(16)24-20(28)14-25-10-12-26(13-11-25)15-27-22(29)18-8-3-4-9-19(18)23(27)30/h5-7,18-19H,3-4,8-15H2,1-2H3,(H,24,28)/p+2/t18-,19-/m0/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)36-25-24(33)21(20-31)35-26(25)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,31,33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9-/t21-,24-,25-,26-/m1/s1
SMILES: CC(C)[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CC=C4OC
InChI: InChI=1S/C20H26N4O3/c1-12(2)22-15-10-26-19-16(11-27-18(15)19)24-20-21-9-8-14(23-20)13-6-4-5-7-17(13)25-3/h4-9,12,15-16,18-19,22H,10-11H2,1-3H3,(H,21,23,24)/p+1/t15-,16-,18+,19+/m0/s1
SMILES: CC1=CC2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H](C(C34CO4)O2)OC(=O)C)O)C)CC(=O)C
InChI: InChI=1S/C19H24O8/c1-8-5-11-18(6-9(2)20,14(23)12(8)22)17(4)15(24)13(26-10(3)21)16(27-11)19(17)7-25-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11?,13-,14-,15-,16?,17-,18-,19?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O)O)O
InChI: InChI=1S/C19H33NO15/c1-6(22)20-9-12(26)16(29)19(18(30)32-3,35-15(9)10(24)7(23)4-21)33-5-8-11(25)13(27)14(28)17(31-2)34-8/h7-17,21,23-29H,4-5H2,1-3H3,(H,20,22)/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16+,17+,19-/m1/s1
SMILES: CC(=O)C1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H17NO4/c1-9(19)12-4-2-3-5-13(12)18-16(20)14-10-6-7-11(8-10)15(14)17(21)22/h2-7,10-11,14-15H,8H2,1H3,(H,18,20)(H,21,22)/t10-,11+,14-,15+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC3=CC=CC=C3N2
InChI: InChI=1S/C18H24N4OS/c1-11-6-5-9-14(12(11)2)20-18(24)22-21-17(23)16-10-13-7-3-4-8-15(13)19-16/h3-4,7-8,10-12,14,19H,5-6,9H2,1-2H3,(H,21,23)(H2,20,22,24)/t11-,12+,14-/m0/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)NC(=O)CC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C46H57NO14/c1-24-29(59-41(55)35(52)34(27-16-12-10-13-17-27)47-32(51)22-42(4,5)6)21-46(56)39(60-40(54)28-18-14-11-15-19-28)37-44(9,30(50)20-31-45(37,23-57-31)61-26(3)49)38(53)36(58-25(2)48)33(24)43(46,7)8/h10-19,29-31,34-37,39,50,52,56H,20-23H2,1-9H3,(H,47,51)/t29-,30-,31+,34-,35+,36+,37-,39-,44+,45-,46+/m0/s1
SMILES: CC(C)[C@H]1CC[C@]2(C1[C@H]3C=CCCC4([C@]3(CC2=O)[Se]C5=CC=CC=C5)OCCO4)C
InChI: InChI=1S/C26H34O3Se/c1-18(2)20-12-14-24(3)22(27)17-25(30-19-9-5-4-6-10-19)21(23(20)24)11-7-8-13-26(25)28-15-16-29-26/h4-7,9-11,18,20-21,23H,8,12-17H2,1-3H3/t20-,21-,23?,24-,25-/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)[C@@H]4CCCC[C@H]4C(=O)O
InChI: InChI=1S/C25H25NO5S/c1-2-31-25(30)21-20(17-13-7-9-15-8-3-4-10-16(15)17)14-32-23(21)26-22(27)18-11-5-6-12-19(18)24(28)29/h3-4,7-10,13-14,18-19H,2,5-6,11-12H2,1H3,(H,26,27)(H,28,29)/t18-,19-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)C
InChI: InChI=1S/C24H33N3O2/c1-17-6-5-8-24(2)15-21-18(14-20(17)24)19(23(28)29-21)16-26-10-12-27(13-11-26)22-7-3-4-9-25-22/h3-4,7,9,14,17-19,21H,5-6,8,10-13,15-16H2,1-2H3/p+2/t17-,18+,19-,21+,24+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3Cl)CC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H59ClN4O4Si3/c1-33(2,3)45(10,11)41-22-25-28(43-46(12,13)34(4,5)6)29(44-47(14,15)35(7,8)9)32(42-25)40-23-37-27-30(36)38-26(39-31(27)40)21-24-19-17-16-18-20-24/h16-20,23,25,28-29,32H,21-22H2,1-15H3/t25-,28-,29-,32-/m1/s1
SMILES: C[C@@]1(CC2=COC=C2[C@H]([C@H]3[C@@H]1CC(C3)(C)C)O)O
InChI: InChI=1S/C15H22O3/c1-14(2)5-10-12(6-14)15(3,17)4-9-7-18-8-11(9)13(10)16/h7-8,10,12-13,16-17H,4-6H2,1-3H3/t10-,12+,13+,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC=C(C=C2)C=O
InChI: InChI=1S/C19H24N2O6/c1-13-4-2-3-5-16(13)20-19(25)21-17(23)11-27-18(24)12-26-15-8-6-14(10-22)7-9-15/h6-10,13,16H,2-5,11-12H2,1H3,(H2,20,21,23,25)/t13-,16+/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
SMILES: C[N+]1(CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)C
InChI: InChI=1S/C18H21NO3/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,21H,7-9H2,1-2H3/p+1/t11-,12-,14-,17-,18-/m0/s1
SMILES: CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H23N3O3S/c1-2-5-14-8-10-15(11-9-14)18-13-29-22(23-18)24-19(26)12-25-20(27)16-6-3-4-7-17(16)21(25)28/h3-4,8-11,13,16-17H,2,5-7,12H2,1H3,(H,23,24,26)/t16-,17+
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3C2C(=O)CC4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C26H39NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-16,18-20,24H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15?,16?,18-,19+,20+,24?,25+,26-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Cl)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H42ClN3O19S2/c1-14(38)47-12-23-26(56-32-30(53-20(7)44)28(51-18(5)42)25(49-16(3)40)24(55-32)13-48-15(2)39)27(50-17(4)41)29(52-19(6)43)31(54-23)35-33(57)36-37-58(45,46)22-10-8-21(34)9-11-22/h8-11,23-32,37H,12-13H2,1-7H3,(H2,35,36,57)/t23-,24-,25-,26-,27+,28+,29-,30-,31?,32-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)/N=C\C=C\C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O2/c22-18-16-14-8-9-15(11-10-14)17(16)19(23)21(18)20-12-4-7-13-5-2-1-3-6-13/h1-9,12,14-17H,10-11H2/b7-4+,20-12-/t14-,15+,16-,17+
SMILES: C[C@H]1[C@@H]2[C@@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC=CC=C3
InChI: InChI=1S/C15H20N4O2/c1-9-11-12(10-7-5-4-6-8-10)18(2)15(21)17-13(11)19(3)14(20)16-9/h4-9,11-13H,1-3H3,(H,16,20)(H,17,21)/t9-,11+,12-,13-/m0/s1
SMILES: C1[C@@H]2[C@H]1[C@H]3C=C[C@@H]2[C@H]4[C@@H]3C(=O)N(C4=O)CC(=O)NC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C19H16Cl2N2O3/c20-8-1-4-14(13(21)5-8)22-15(24)7-23-18(25)16-9-2-3-10(12-6-11(9)12)17(16)19(23)26/h1-5,9-12,16-17H,6-7H2,(H,22,24)/t9-,10+,11-,12+,16-,17+
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3
InChI: InChI=1S/C20H25N3O3S/c1-13-6-3-4-8-17(13)23-19(25)14(2)26-18(24)10-16-12-27-20(22-16)15-7-5-9-21-11-15/h5,7,9,11-14,17H,3-4,6,8,10H2,1-2H3,(H,23,25)/t13-,14-,17-/m1/s1
SMILES: COC(=O)C[C@]1(CC12CC2)N3[C@@H]([C@@H](OC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H23NO4/c1-27-18(25)14-23(15-22(23)12-13-22)24-19(16-8-4-2-5-9-16)20(28-21(24)26)17-10-6-3-7-11-17/h2-11,19-20H,12-15H2,1H3/t19-,20+,23-/m1/s1
SMILES: CC[C@@]1([C@]2([C@@]1(C([NH+]=C2N)(OC)OC)C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C17H18N4O2/c1-4-14(12-8-6-5-7-9-12)15(10-18)13(20)21-17(22-2,23-3)16(14,15)11-19/h5-9H,4H2,1-3H3,(H2,20,21)/p+1/t14-,15-,16+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)OC4=CC5=CC=CC=C5C=C4)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC8=CC=CC=C8S7)C
InChI: InChI=1S/C47H51NO6S/c1-31-9-7-22-46(2)41(39-20-16-32(25-36(49)18-15-31)26-40(39)44(50)43-28-35-12-5-6-14-42(35)55-43)21-23-47(46,52)30-48(29-38-13-8-24-53-38)45(51)54-37-19-17-33-10-3-4-11-34(33)27-37/h3-6,9-12,14,16-17,19-20,26-28,36,38,41,49,52H,7-8,13,15,18,21-25,29-30H2,1-2H3/t36-,38+,41-,46-,47+/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)CNC(=O)C4=CC=CC=C4)CN(C)CCC5=CC=CC=N5
InChI: InChI=1S/C35H39N3O4/c1-25-32(23-38(2)21-19-31-10-6-7-20-36-31)41-35(42-33(25)28-15-13-27(24-39)14-16-28)30-17-11-26(12-18-30)22-37-34(40)29-8-4-3-5-9-29/h3-18,20,25,32-33,35,39H,19,21-24H2,1-2H3,(H,37,40)/t25-,32+,33+,35+/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2NC(=O)OCCl)O)O)/C
InChI: InChI=1S/C39H49ClN2O14/c1-16-11-10-12-17(2)37(50)41-27-28(42-38(51)53-15-40)32(47)24-25(33(27)48)31(46)21(6)35-26(24)36(49)39(8,56-35)54-14-13-23(52-9)18(3)34(55-22(7)43)20(5)30(45)19(4)29(16)44/h10-14,16,18-20,23,29-30,34,44-48H,15H2,1-9H3,(H,41,50)(H,42,51)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,23-,29-,30+,34+,39-/m0/s1
SMILES: CC1(O[C@@H](C[C@@H](O1)CCOCC2=CC=CC=C2)CC[C@H]([C@H]3C[C@H](OC(O3)(C)C)C[C@@]4(C[C@@H]([C@H]([C@@H](O4)CCO)C(=O)O)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C46H82O12Si2/c1-42(2,3)59(12,13)57-36(22-21-33-27-34(53-44(7,8)52-33)24-26-51-31-32-19-17-16-18-20-32)38-28-35(54-45(9,10)55-38)29-46(50-11)30-39(58-60(14,15)43(4,5)6)40(41(48)49)37(56-46)23-25-47/h16-20,33-40,47H,21-31H2,1-15H3,(H,48,49)/t33-,34+,35+,36-,37+,38-,39+,40+,46-/m1/s1
SMILES: CC(=O)N[C@H](COCC1=CC=CC=C1)[C@@H]2[C@H](OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C21H31NO6/c1-14(23)22-16(12-24-11-15-9-7-6-8-10-15)18-19(28-21(4,5)27-18)17-13-25-20(2,3)26-17/h6-10,16-19H,11-13H2,1-5H3,(H,22,23)/t16-,17-,18-,19-/m1/s1
SMILES: C[C@]12[C@H]3C[C@H](C3(C)C)C[C@H]1OC(O[C@@H]2[C@H](C(C)(C)OC)I)(C)C
InChI: InChI=1S/C19H33IO3/c1-16(2)11-9-12(16)19(7)13(10-11)22-18(5,6)23-15(19)14(20)17(3,4)21-8/h11-15H,9-10H2,1-8H3/t11-,12-,13+,14+,15+,19-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC6=C(C=C5)NC=C6
InChI: InChI=1S/C27H27N7O4/c1-15(16-5-3-2-4-6-16)32-24-22-25(30-13-29-24)34(14-31-22)27-21(23(36)20(12-35)38-27)33-26(37)18-7-8-19-17(11-18)9-10-28-19/h2-11,13-15,20-21,23,27-28,35-36H,12H2,1H3,(H,33,37)(H,29,30,32)/t15-,20-,21-,23-,27-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)O)C(=O)N(C3=O)C5=CC=CC=C5)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=CC=C7
InChI: InChI=1S/C32H26N2O5/c35-21-13-11-18(12-14-21)26-22-15-16-23-27(31(38)33(29(23)36)19-7-3-1-4-8-19)24(22)17-25-28(26)32(39)34(30(25)37)20-9-5-2-6-10-20/h1-15,23-28,35H,16-17H2/t23-,24+,25+,26-,27-,28+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]3C[C@H]([C@H]2C(=O)N=[N+]=[N-])C(=O)O3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H27N3O13/c1-8(26)32-7-15-17(33-9(2)27)18(34-10(3)28)19(35-11(4)29)22(38-15)37-14-6-12-5-13(21(31)36-12)16(14)20(30)24-25-23/h12-19,22H,5-7H2,1-4H3/t12-,13+,14-,15+,16+,17+,18-,19+,22+/m0/s1
SMILES: C1=CC=C(C=C1)CSC2[C@H]([C@H](OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)O)O)O)O
InChI: InChI=1S/C22H20O7S/c23-13-8-14(24)18-17(9-13)29-21(12-6-15(25)19(27)16(26)7-12)20(28)22(18)30-10-11-4-2-1-3-5-11/h1-9,20-28H,10H2/t20-,21+,22?/m0/s1
SMILES: CC(C)[C@@H](C(=O)O)N1[C@H]([C@H](C1=O)N2[C@H](COC2=O)C3=CC=CC=C3)C4=CC=CS4
InChI: InChI=1S/C21H22N2O5S/c1-12(2)16(20(25)26)23-17(15-9-6-10-29-15)18(19(23)24)22-14(11-28-21(22)27)13-7-4-3-5-8-13/h3-10,12,14,16-18H,11H2,1-2H3,(H,25,26)/t14-,16+,17+,18-/m1/s1
SMILES: C=CCO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
InChI: InChI=1S/C30H34O6/c1-2-18-33-29-27(34-19-22-12-6-3-7-13-22)25(31)26(32)28(35-20-23-14-8-4-9-15-23)30(29)36-21-24-16-10-5-11-17-24/h2-17,25-32H,1,18-21H2/t25-,26-,27+,28+,29-,30+/m1/s1
SMILES: C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CO5)C)(OC)OC
InChI: InChI=1S/C22H36O3/c1-19-11-12-22(23-3,24-4)13-15(19)5-6-16-17(19)7-9-20(2)18(16)8-10-21(20)14-25-21/h15-18H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
SMILES: CN1[C@H]2C[C@H]([C@@H]1[C@@H]3CC4=C([C@@H](N3[C@H]2C#N)COC(=O)C5=CC=CC=C5)C(=CC=C4)OC)COC(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H33N3O5/c1-35-25-17-24(19-40-32(37)21-10-5-3-6-11-21)31(35)26-16-23-14-9-15-29(39-2)30(23)28(36(26)27(25)18-34)20-41-33(38)22-12-7-4-8-13-22/h3-15,24-28,31H,16-17,19-20H2,1-2H3/t24-,25-,26-,27-,28-,31+/m0/s1
SMILES: CCOC1=C(C=C(C=C1Br)/C=N\NC(=O)[C@H]2[C@H]3[C@@]2(CCCC3)C)OC
InChI: InChI=1S/C19H25BrN2O3/c1-4-25-17-14(20)9-12(10-15(17)24-3)11-21-22-18(23)16-13-7-5-6-8-19(13,16)2/h9-11,13,16H,4-8H2,1-3H3,(H,22,23)/b21-11-/t13-,16+,19-/m0/s1
SMILES: CC(C)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3
InChI: InChI=1S/C19H19N5S/c1-12(2)24-5-3-14-15(7-20)18(23)19(10-21,11-22)17(16(14)8-24)13-4-6-25-9-13/h3-4,6,9,12,16-17H,5,8,23H2,1-2H3/t16-,17-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@H]([C@H](N2C(=O)N3CCC(CC3)N4CCOCC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C37H44Cl2N4O3/c1-5-46-32-24-27(37(2,3)4)10-15-31(32)35-40-33(25-6-11-28(38)12-7-25)34(26-8-13-29(39)14-9-26)43(35)36(44)42-18-16-30(17-19-42)41-20-22-45-23-21-41/h6-15,24,30,33-34H,5,16-23H2,1-4H3/t33-,34+/m0/s1
SMILES: COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@@H](CC5=CC(=C(C=C5)O)O)C(=O)OC
InChI: InChI=1S/C38H34O16/c1-50-36(47)29(15-18-3-8-22(39)26(43)13-18)52-31(46)12-7-20-5-11-25(42)35-32(20)33(34(54-35)21-6-10-24(41)28(45)17-21)38(49)53-30(37(48)51-2)16-19-4-9-23(40)27(44)14-19/h3-14,17,29-30,33-34,39-45H,15-16H2,1-2H3/b12-7+/t29-,30+,33+,34-/m1/s1
SMILES: C1=CC=C2C(=C1)C3=C([C@H]([C@H](C(=N)O3)C#N)C4=CC=CO4)C(=O)O2
InChI: InChI=1S/C17H10N2O4/c18-8-10-13(12-6-3-7-21-12)14-15(23-16(10)19)9-4-1-2-5-11(9)22-17(14)20/h1-7,10,13,19H/t10-,13-/m1/s1
SMILES: CCO[P@@]1(=O)CC[C@H]2[C@@H]1[C@@H](N(O2)C)C3=CC=CC=N3
InChI: InChI=1S/C13H19N2O3P/c1-3-17-19(16)9-7-11-13(19)12(15(2)18-11)10-6-4-5-8-14-10/h4-6,8,11-13H,3,7,9H2,1-2H3/t11-,12-,13+,19-/m0/s1
SMILES: C1CC1C(=O)N[C@@H]2[C@H](C=C(O[C@H]2[C@@H](C(CO)O)O)C(=O)O)NS(=O)(=O)C(Cl)Cl
InChI: InChI=1S/C14H20Cl2N2O9S/c15-14(16)28(25,26)18-6-3-8(13(23)24)27-11(10(21)7(20)4-19)9(6)17-12(22)5-1-2-5/h3,5-7,9-11,14,18-21H,1-2,4H2,(H,17,22)(H,23,24)/t6-,7?,9+,10+,11+/m0/s1
SMILES: CC(C)O[C@@H]1C=C[C@H]([C@H](O1)COCC2=CC=CC=C2)NS(=O)(=O)C
InChI: InChI=1S/C17H25NO5S/c1-13(2)22-17-10-9-15(18-24(3,19)20)16(23-17)12-21-11-14-7-5-4-6-8-14/h4-10,13,15-18H,11-12H2,1-3H3/t15-,16-,17+/m1/s1
SMILES: CC[C@@H](/C=N/OCCN(C)C)[C@]1(CC[C@H]2[C@H](C1=O)CC[C@H]3[C@@]2(CC[C@@H](C3)O)C)C
InChI: InChI=1S/C24H42N2O3/c1-6-17(16-25-29-14-13-26(4)5)24(3)12-10-21-20(22(24)28)8-7-18-15-19(27)9-11-23(18,21)2/h16-21,27H,6-15H2,1-5H3/b25-16+/t17-,18+,19-,20+,21-,23-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C3SCCS3
InChI: InChI=1S/C21H29NO3S2/c1-13-5-4-6-18(14(13)2)22-19(23)15(3)25-20(24)16-7-9-17(10-8-16)21-26-11-12-27-21/h7-10,13-15,18,21H,4-6,11-12H2,1-3H3,(H,22,23)/t13-,14-,15-,18-/m1/s1