EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)S)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H33NO6S/c37-33-27-18-10-11-19-28(27)34(38)36(33)30-32(41-22-26-16-8-3-9-17-26)31(40-21-25-14-6-2-7-15-25)29(42-35(30)43)23-39-20-24-12-4-1-5-13-24/h1-19,29-32,35,43H,20-23H2/t29-,30-,31-,32-,35+/m1/s1
SMILES: C[C@H](C[C@H](C(C(C)(C)O)(F)F)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H42F2O4/c1-16(13-24(32)27(28,29)25(3,4)33)21-10-11-22-18(7-6-12-26(21,22)5)8-9-19-14-20(30)15-23(31)17(19)2/h8-9,16,20-24,30-33H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22?,23+,24-,26-/m1/s1
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C30H31N3O6/c1-39-30(38)23(15-19-10-6-3-7-11-19)32-27(35)22(14-18-8-4-2-5-9-18)31-24(34)17-33-28(36)25-20-12-13-21(16-20)26(25)29(33)37/h2-13,20-23,25-26H,14-17H2,1H3,(H,31,34)(H,32,35)/t20-,21+,22-,23+,25-,26+/m1/s1
SMILES: CC(C)CCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@H](C2=NC=CS2)O
InChI: InChI=1S/C23H41NO3S/c1-18(2)14-12-10-8-6-5-7-9-11-13-15-19-21(27-23(3,4)26-19)20(25)22-24-16-17-28-22/h16-21,25H,5-15H2,1-4H3/t19-,20-,21-/m1/s1
SMILES: C[C@H]1C[C@]2([C@@](N1)([C@H](C(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C27H28N2O/c1-20-18-26(2)27(28-20,23-16-10-5-11-17-23)24(22-14-8-4-9-15-22)25(30)29(26)19-21-12-6-3-7-13-21/h3-17,20,24,28H,18-19H2,1-2H3/t20-,24-,26-,27-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@H](C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)O)C
InChI: InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11?,12-,13-,16+/m0/s1
SMILES: CC(C)[C@H]1CCC2[C@@]1(CC[C@]3([C@]2(CC=C4C3CCC5[C@@]4(CCC[C@@]5(C)COC(=O)C)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)23-10-13-27-30(23,6)18-19-31(7)25-11-12-26-28(4,20-34-22(3)33)15-9-16-29(26,5)24(25)14-17-32(27,31)8/h14,21,23,25-27H,9-13,15-20H2,1-8H3/t23-,25?,26?,27?,28+,29-,30-,31-,32+/m1/s1
SMILES: CCCCC[C@H]1CCCCCCC(=O)CCC(=O)OC[C@@H]2[C@H]([C@@H](C([C@@H](O2)O[C@H]3[C@H]([C@H]([C@H](O[C@H]3O1)C)OC(=O)C)O)O)OC(=O)/C(=C/C)/C)OC(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C44H62O15/c1-6-8-12-20-32-21-16-10-9-15-19-31(46)23-25-34(47)52-26-33-39(57-35(48)24-22-30-17-13-11-14-18-30)40(58-42(51)27(3)7-2)37(50)43(56-33)59-41-36(49)38(54-29(5)45)28(4)53-44(41)55-32/h7,11,13-14,17-18,22,24,28,32-33,36-41,43-44,49-50H,6,8-10,12,15-16,19-21,23,25-26H2,1-5H3/b24-22+,27-7+/t28-,32+,33-,36+,37?,38+,39-,40-,41+,43+,44+/m1/s1
SMILES: CN(C)[C@@H]1[C@H](C2CCC1C(C2)OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H26ClNO2/c1-25(2)22-19-13-10-17(21(22)15-8-11-18(24)12-9-15)14-20(19)27-23(26)16-6-4-3-5-7-16/h3-9,11-12,17,19-22H,10,13-14H2,1-2H3/t17?,19?,20?,21-,22-/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C43H39NO6/c45-30-16-19-36-26(21-30)20-27(24-50-36)39-31-17-18-32-38(42(49)44(41(32)48)29-14-8-3-9-15-29)34(31)22-35-40(47)33(25-10-4-1-5-11-25)23-37(46)43(35,39)28-12-6-2-7-13-28/h1-2,4-7,10-13,16-17,19,21,23-24,29,32,34-35,38-39,45H,3,8-9,14-15,18,20,22H2/t32-,34+,35-,38-,39-,43-/m0/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C[C@@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C20H28N2O/c1-2-23-20-6-4-3-5-19(20)22-11-9-21(10-12-22)15-18-14-16-7-8-17(18)13-16/h3-8,16-18H,2,9-15H2,1H3/t16-,17+,18+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4.C1=CC=C(C(=C1)C(=O)O)O
InChI: InChI=1S/C22H17ClN2.C22H29FO5.C7H6O3/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;8-6-4-2-1-3-5(6)7(9)10/h1-17H;6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-4,8H,(H,9,10)/t;12-,15-,16-,17-,19-,20-,21-,22-;/m.0./s1
SMILES: CC1(C[C@@H]([C@H](C1=O)SCCCCCC(=O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C
InChI: InChI=1S/C23H31ClO5S/c1-23(2)14-16(21(22(23)28)30-12-5-3-4-9-20(26)27)10-11-18(25)15-29-19-8-6-7-17(24)13-19/h6-8,10-11,13,16,18,21,25H,3-5,9,12,14-15H2,1-2H3,(H,26,27)/b11-10+/t16-,18+,21+/m0/s1
SMILES: C=C[C@@H]1C[C@H]1[C@@H]2C[C@H]2[C@@H]3C[C@H]3[C@@H]4C[C@H]4[C@@H]5C[C@H]5COC(=O)C6=CC=C(C=C6)C=C
InChI: InChI=1S/C27H32O2/c1-3-15-5-7-17(8-6-15)27(28)29-14-18-10-20(18)22-12-24(22)26-13-25(26)23-11-21(23)19-9-16(19)4-2/h3-8,16,18-26H,1-2,9-14H2/t16-,18+,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
SMILES: C[C@H](CCCOCCCN)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C
InChI: InChI=1S/C36H70N4O4/c1-26(9-4-18-41-19-5-14-37)29-10-11-30-34-31(25-33(36(29,30)3)44-22-8-17-40)35(2)13-12-28(42-20-6-15-38)23-27(35)24-32(34)43-21-7-16-39/h26-34H,4-25,37-40H2,1-3H3/t26-,27?,28-,29-,30+,31+,32-,33+,34+,35+,36-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)[O-])C
InChI: InChI=1S/C12H18O7/c1-11(2)16-5-6(17-11)8-10(15-7(5)9(13)14)19-12(3,4)18-8/h5-8,10H,1-4H3,(H,13,14)/p-1/t5-,6+,7+,8-,10-/m1/s1
SMILES: C1C[C@@H]2[C@H]3[C@H]4C[C@@H]([C@@H]3O)[C@]2(C1)C4
InChI: InChI=1S/C11H16O/c12-10-8-4-6-5-11(8)3-1-2-7(11)9(6)10/h6-10,12H,1-5H2/t6-,7+,8-,9+,10-,11+/m0/s1
SMILES: CCCC[C@@H]1[C@H](O1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C22H30OSi/c1-5-6-17-20-21(23-20)24(22(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,5-6,17H2,1-4H3/t20-,21-/m1/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@@H]([C@@H](C(=C2)C)C(=O)OC)C3=CC=C(C=C3)Br)C(=O)OC
InChI: InChI=1S/C24H24BrNO4/c1-14-5-11-18(12-6-14)26-19-13-15(2)20(23(27)29-3)21(22(19)24(28)30-4)16-7-9-17(25)10-8-16/h5-13,20-21,26H,1-4H3/t20-,21-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C18H25N3O3S/c1-11-4-3-5-14(12(11)2)19-18(25)21-20-17(22)13-6-7-15-16(10-13)24-9-8-23-15/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t11-,12+,14-/m0/s1
SMILES: C[C@@H]1CC2(C3C(O3)(C(O2)O)C)OC4C1[C@]5(CC[C@@]67C[C@@]68CCC(C([C@@H]8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C
InChI: InChI=1S/C35H52O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h8,17-20,22-28,36-39H,7,9-16H2,1-6H3/t17-,18-,19?,20+,22?,23?,24+,25-,26+,27?,28?,30-,31+,32?,33-,34+,35?/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17+,18+/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(=O)CP(=O)(OC)OC)[C@@H](COCC2=CC=CC=C2)O)C
InChI: InChI=1S/C18H27O8P/c1-18(2)25-16(14(19)11-24-10-13-8-6-5-7-9-13)17(26-18)15(20)12-27(21,22-3)23-4/h5-9,14,16-17,19H,10-12H2,1-4H3/t14-,16-,17+/m1/s1
SMILES: C1[C@@H]([C@H]2CO[C@@H](C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4Cl
InChI: InChI=1S/C13H11ClN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9-,11+,12+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(C)CNC(=O)[C@H]4[C@H](N(C(=O)N4CC5=CC=CC=C5)CC6=CC=CC=C6)CO)C
InChI: InChI=1S/C39H49N3O3/c1-27(2)30-16-18-32-31(22-30)17-19-34-38(3,20-11-21-39(32,34)4)26-40-36(44)35-33(25-43)41(23-28-12-7-5-8-13-28)37(45)42(35)24-29-14-9-6-10-15-29/h5-10,12-16,18,22,27,33-35,43H,11,17,19-21,23-26H2,1-4H3,(H,40,44)/t33-,34-,35-,38-,39+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CCO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)OCO4
InChI: InChI=1S/C38H53N3O16/c1-37(2,3)56-26(45)10-9-22(17-42)40-25(44)11-12-39-36(50)38-15-23-30-31(53-19-52-30)33(38)57-41(32(38)34(49)54-23)16-21-7-4-6-20(14-21)8-5-13-51-35-29(48)28(47)27(46)24(18-43)55-35/h4-8,14,22-24,27-33,35,42-43,46-48H,9-13,15-19H2,1-3H3,(H,39,50)(H,40,44)/t22-,23+,24+,27-,28-,29+,30-,31-,32-,33+,35-,38-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C74H112O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-53-70(75)78-61-67(82-71(76)54-44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)55-56-68-72(79-58-64-47-37-32-38-48-64)74(81-60-66-51-41-34-42-52-66)73(80-59-65-49-39-33-40-50-65)69(83-68)62-77-57-63-45-35-31-36-46-63/h31-42,45-52,67-69,72-74H,3-30,43-44,53-62H2,1-2H3/t67-,68-,69+,72-,73-,74+/m0/s1
SMILES: CN1C(=NN(C1=S)[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)C4=CC=CO4
InChI: InChI=1S/C13H13N3O4S/c1-15-11(9-3-2-4-18-9)14-16(13(15)21)7-5-8(17)12-19-6-10(7)20-12/h2-4,7,10,12H,5-6H2,1H3/t7-,10-,12-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CS5
InChI: InChI=1S/C21H15ClN2O3S/c22-13-8-10-14(11-9-13)23-20(25)17-18(16-7-4-12-28-16)24(27-19(17)21(23)26)15-5-2-1-3-6-15/h1-12,17-19H/t17-,18-,19-/m1/s1
SMILES: C[NH+]1CC[C@@]([C@@H](C1)C(=O)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
InChI: InChI=1S/C19H19F2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3/p+1/t17-,19-/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)NC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)O)CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C47H64N10O15/c1-25(2)18-30(41(64)51-23-36(60)49-22-34(48)58)52-44(67)33-21-50-45(68)40(57-47(70)71-24-29-14-10-7-11-15-29)27(5)72-38(63)20-32(54-46(69)39(26(3)4)56-35(59)16-17-37(61)62)43(66)53-31(42(65)55-33)19-28-12-8-6-9-13-28/h6-15,25-27,30-33,39-40H,16-24H2,1-5H3,(H2,48,58)(H,49,60)(H,50,68)(H,51,64)(H,52,67)(H,53,66)(H,54,69)(H,55,65)(H,56,59)(H,57,70)(H,61,62)/t27-,30+,31+,32+,33+,39+,40+/m1/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC(C)C)C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C27H29NO7/c1-12(2)35-27(32)21-15(5)28-18-10-14(4)20(26(31)33-6)25(30)23(18)22(21)17-11-34-19-8-7-13(3)9-16(19)24(17)29/h7-9,11-12,14,20,22,28H,10H2,1-6H3/t14-,20-,22+/m1/s1
SMILES: CN1C2=C([C@@H]([C@@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)OC)C(=O)NC1=O
InChI: InChI=1S/C22H17N3O5/c1-25-20-17(21(28)24-22(25)29)15(10-7-8-13(26)14(9-10)30-2)16-18(23-20)11-5-3-4-6-12(11)19(16)27/h3-9,15-16,26H,1-2H3,(H,24,28,29)/t15-,16-/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CCC34[C@@H]2CCC(C3)C(=C)C4)(C)C
InChI: InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15?,16-,17-,19-,20?/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)[NH3+])O)O)O
InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4+,5-,6-/m1/s1
SMILES: C1=CC=C(C=C1)NC2=C(C(=O)O[C@H]3[C@@H]2C=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H12N2O4/c18-15-14(17(19)20)13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-15/h1-9,11-12,16H/t11-,12+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C45H45N3O4/c1-30-42(28-48(3)31(2)36-21-20-34-10-4-5-11-38(34)24-36)51-45(52-43(30)35-18-16-32(29-49)17-19-35)40-14-7-13-39(25-40)37-12-6-9-33(23-37)26-47-44(50)41-15-8-22-46-27-41/h4-25,27,30-31,42-43,45,49H,26,28-29H2,1-3H3,(H,47,50)/t30-,31-,42+,43+,45+/m1/s1
SMILES: CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=CC(=O)O4)N(C)C)C)O
InChI: InChI=1S/C26H32N2O8/c1-13-8-10-16(27-13)24(31)35-22-20(30)25(36-26(3,4)23(22)32-7)33-18-11-9-15-17(28(5)6)12-19(29)34-21(15)14(18)2/h8-12,20,22-23,25,27,30H,1-7H3/t20-,22+,23-,25-/m1/s1
SMILES: C[C@H]1[C@H](N[C@@H]([C@@H](C1=O)C)C2=CC=CC=C2O)C3=CC=CC=C3O
InChI: InChI=1S/C19H21NO3/c1-11-17(13-7-3-5-9-15(13)21)20-18(12(2)19(11)23)14-8-4-6-10-16(14)22/h3-12,17-18,20-22H,1-2H3/t11-,12-,17-,18-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](N[C@@H]([C@@H](S1(=O)=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO6S/c1-26-19(22)17-15(13-9-5-3-6-10-13)21-16(14-11-7-4-8-12-14)18(20(23)27-2)28(17,24)25/h3-12,15-18,21H,1-2H3/t15-,16+,17-,18-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4CCCCC4)O2
InChI: InChI=1S/C16H21NO4/c1-20-15(19)12-11-7-8-16(21-11)9-17(14(18)13(12)16)10-5-3-2-4-6-10/h7-8,10-13H,2-6,9H2,1H3/t11-,12-,13+,16-/m1/s1
SMILES: CCCCN1[C@@H]([C@@H](CC1=O)C(=O)NC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H26N4O3/c1-3-4-13-27-20(28)14-17(21(27)15-9-11-16(30-2)12-10-15)22(29)26-23-24-18-7-5-6-8-19(18)25-23/h5-12,17,21H,3-4,13-14H2,1-2H3,(H2,24,25,26,29)/t17-,21-/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(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCOCC6
InChI: InChI=1S/C37H42F3N3O6/c1-24-32(22-42-16-18-47-19-17-42)48-35(49-33(24)28-9-7-25(23-44)8-10-28)29-13-11-27(12-14-29)30-5-2-4-26(20-30)21-41-34(45)31-6-3-15-43(31)36(46)37(38,39)40/h2,4-5,7-14,20,24,31-33,35,44H,3,6,15-19,21-23H2,1H3,(H,41,45)/t24-,31+,32+,33+,35+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H](CCCCN)OP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O
InChI: InChI=1S/C25H39N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-3,10-11,20-23H,4-9,12-18,26H2,(H,29,30)(H,31,32)/t20-,21-,22-,23-/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H]2CC(=C(C2C1=O)C(=O)O)C3=CC=C(C=C3)C[N+]4=CC=CC=C4)O
InChI: InChI=1S/C22H21NO4/c1-13(24)18-17-11-16(20(22(26)27)19(17)21(18)25)15-7-5-14(6-8-15)12-23-9-3-2-4-10-23/h2-10,13,17-19,24H,11-12H2,1H3/p+1/t13-,17+,18+,19?/m0/s1
SMILES: C[C@@H]1[C@H](OC(=O)N1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC(=C3)C(F)(F)F)C4=C(C=CC(=C4)C(C)C)OC(F)(F)F
InChI: InChI=1S/C30H23F12NO3/c1-14(2)17-4-7-24(46-30(40,41)42)22(10-17)21-6-5-18(27(31,32)33)12-23(21)25-15(3)43(26(44)45-25)13-16-8-19(28(34,35)36)11-20(9-16)29(37,38)39/h4-12,14-15,25H,13H2,1-3H3/t15-,25+/m1/s1
SMILES: C1=C(C(=C(C(=C1F)F)C(=O)N[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)F)F
InChI: InChI=1S/C19H23F4NO11/c20-4-1-5(21)10(23)8(9(4)22)17(32)24-18-14(30)13(29)16(7(3-26)33-18)35-19-15(31)12(28)11(27)6(2-25)34-19/h1,6-7,11-16,18-19,25-31H,2-3H2,(H,24,32)/t6-,7-,11+,12+,13-,14-,15-,16+,18-,19-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCOCCO)C(=O)C5=CC=C(C=C5)C#N)OCC=C
InChI: InChI=1S/C53H76N4O10/c1-4-6-7-8-9-10-11-12-13-16-27-55-52(62)66-42-25-26-47-45(36-42)49-43(20-15-18-30-59)41(19-14-17-29-58)35-44-46(56-63-3)37-48(53(67-47,50(44)49)65-32-5-2)57(28-33-64-34-31-60)51(61)40-23-21-39(38-54)22-24-40/h5,21-26,35-36,41,43,48-50,58-60H,2,4,6-20,27-34,37H2,1,3H3,(H,55,62)/t41-,43+,48-,49+,50+,53+/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)NC(=O)[C@H](C)OC(=O)C)CSC4=NC=NN4
InChI: InChI=1S/C26H30N4O6S/c1-15-22(13-37-26-27-14-28-30-26)35-25(36-23(15)19-6-4-18(12-31)5-7-19)20-8-10-21(11-9-20)29-24(33)16(2)34-17(3)32/h4-11,14-16,22-23,25,31H,12-13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,16-,22+,23+,25+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)Cl)CBr)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=CC(=C7)C(=O)O
InChI: InChI=1S/C32H23BrCl2N2O7/c33-14-36-29(43)31(34)13-22-20(25(32(31,35)30(36)44)19-10-11-23(38)18-7-2-1-6-17(18)19)8-9-21-24(22)27(40)37(26(21)39)16-5-3-4-15(12-16)28(41)42/h1-8,10-12,21-22,24-25,38H,9,13-14H2,(H,41,42)/t21-,22+,24-,25-,31+,32-/m0/s1
SMILES: CC(C)CC[C@@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](C[C@]23CO3)OC(=O)NC(=O)CCl)OC
InChI: InChI=1S/C18H28ClNO6/c1-10(2)5-6-12-17(3,26-12)15-14(23-4)11(7-18(15)9-24-18)25-16(22)20-13(21)8-19/h10-12,14-15H,5-9H2,1-4H3,(H,20,21,22)/t11-,12-,14-,15-,17-,18+/m1/s1
SMILES: CN1C[C@@H]([C@H](N(C(=O)[C@@H]1[C@@H](COC(=O)C2=CC=CC=C2)OCOC)C)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C31H34N2O7/c1-32-19-25(40-31(36)24-17-11-6-12-18-24)27(22-13-7-4-8-14-22)33(2)29(34)28(32)26(39-21-37-3)20-38-30(35)23-15-9-5-10-16-23/h4-18,25-28H,19-21H2,1-3H3/t25-,26+,27+,28-/m0/s1
SMILES: CC1=CO[C@]2([C@@H]1[C@](O2)(C)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H28O3Si/c1-14-13-20-19(22-23(6,7)17(2,3)4)16(14)18(5,21-19)15-11-9-8-10-12-15/h8-13,16H,1-7H3/t16-,18-,19-/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H21ClN2O4/c1-29-19-11-8-14(23)12-18(19)24-20(26)13-6-9-15(10-7-13)25-21(27)16-4-2-3-5-17(16)22(25)28/h6-12,16-17H,2-5H2,1H3,(H,24,26)/t16-,17+
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)OC)[C@]2(COC3=C([C@@H]2O)C=CC(=C3)OC)O
InChI: InChI=1S/C23H32O6Si/c1-22(2,3)30(6,7)29-20-13-16(27-5)9-11-18(20)23(25)14-28-19-12-15(26-4)8-10-17(19)21(23)24/h8-13,21,24-25H,14H2,1-7H3/t21-,23-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC=C(C=C4)Br
InChI: InChI=1S/C26H33BrFN3O/c27-22-9-13-24(14-10-22)29-26(32)30-25-6-2-1-5-21(25)18-31-15-3-4-20(17-31)16-19-7-11-23(28)12-8-19/h7-14,20-21,25H,1-6,15-18H2,(H2,29,30,32)/t20-,21-,25+/m0/s1
SMILES: CC(=O)N(CC1=CC=CC=C1)[C@H](CC=C)[C@@H]([C@@H]2[C@H](OC(O2)(C)C)[C@H]3COC(O3)(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C31H41NO6/c1-7-14-25(32(22(2)33)19-23-15-10-8-11-16-23)27(34-20-24-17-12-9-13-18-24)29-28(37-31(5,6)38-29)26-21-35-30(3,4)36-26/h7-13,15-18,25-29H,1,14,19-21H2,2-6H3/t25-,26-,27+,28-,29-/m1/s1
SMILES: COC1=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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-])I)O
InChI: InChI=1S/C39H29ClIN3O8/c1-52-31-17-20(16-30(41)34(31)45)33-26-14-15-27-32(37(48)42(35(27)46)23-10-12-24(13-11-23)44(50)51)28(26)19-29-36(47)43(25-9-5-8-22(40)18-25)38(49)39(29,33)21-6-3-2-4-7-21/h2-14,16-18,27-29,32-33,45H,15,19H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@@H]4[C@@H]5C[C@H]([C@@H]4O)C(C5)(CO)CO
InChI: InChI=1S/C17H23N5O3/c23-5-17(6-24)4-9-3-11(17)14(25)13(9)22-8-20-12-15(21-10-1-2-10)18-7-19-16(12)22/h7-11,13-14,23-25H,1-6H2,(H,18,19,21)/t9-,11-,13-,14+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]([NH2+][C@@H]3C4=CC=CC=C4O)C(=O)[O-])C
InChI: InChI=1S/C21H20N2O5/c1-10-7-8-12(9-11(10)2)23-19(25)15-16(20(23)26)18(21(27)28)22-17(15)13-5-3-4-6-14(13)24/h3-9,15-18,22,24H,1-2H3,(H,27,28)/t15-,16-,17-,18+/m1/s1
SMILES: CCNC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C27H22N2O3/c1-2-28-25(30)15-11-13-16(14-12-15)29-26(31)23-21-17-7-3-4-8-18(17)22(24(23)27(29)32)20-10-6-5-9-19(20)21/h3-14,21-24H,2H2,1H3,(H,28,30)/t21?,22?,23-,24-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@H]4N)O)C)C
InChI: InChI=1S/C21H35NO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(24)19(21)22/h13-19,24H,4-11,22H2,1-3H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-/m0/s1
SMILES: CC(=O)C1=CC=C(C=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=C(C(=CC=C6)OC)O)Cl)C)Cl
InChI: InChI=1S/C30H26Cl2N2O7/c1-14(35)15-7-9-16(10-8-15)34-25(37)18-12-11-17-20(22(18)26(34)38)13-29(31)27(39)33(2)28(40)30(29,32)23(17)19-5-4-6-21(41-3)24(19)36/h4-11,18,20,22-23,36H,12-13H2,1-3H3/t18-,20+,22-,23+,29+,30-/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CC(=O)NCCC(=O)OC)NC(=O)CCNC(=O)C[C@H](C3C[C@H]4[C@@H]([C@H]3C(=O)C)OC(O4)(C)C)NC(=O)OC(C)(C)C)OC(O2)(C)C
InChI: InChI=1S/C37H58N4O14/c1-18(42)28-20(15-23-31(28)52-36(6,7)51-23)21(41-34(48)55-35(3,4)5)16-25(45)38-13-11-24(44)40-22(17-26(46)39-14-12-27(47)49-10)30-29(19(2)43)32-33(50-30)54-37(8,9)53-32/h20-23,28-33H,11-17H2,1-10H3,(H,38,45)(H,39,46)(H,40,44)(H,41,48)/t20?,21-,22?,23+,28+,29+,30-,31+,32-,33-/m1/s1
SMILES: C[C@@H](C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]2COC(=O)C3=C(CSC[C@H](NC2=O)C(=O)N[C@@H](C)C(=O)O)C(=CC(=C3)O)O)O)N
InChI: InChI=1S/C25H33N5O11S/c1-10(26)23(37)30-4-3-17(32)19(30)22(36)28-15-7-41-25(40)13-5-12(31)6-18(33)14(13)8-42-9-16(29-20(15)34)21(35)27-11(2)24(38)39/h5-6,10-11,15-17,19,31-33H,3-4,7-9,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,34)(H,38,39)/t10-,11-,15-,16-,17+,19-/m0/s1
SMILES: COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])OC
InChI: InChI=1S/C16H19NO7/c1-22-12-6-10(16(21)24-3)11(7-13(12)23-2)17-14(18)8-4-5-9(8)15(19)20/h6-9H,4-5H2,1-3H3,(H,17,18)(H,19,20)/p-1/t8-,9-/m0/s1
SMILES: C1CO[C@H]2[C@@H]1[C@@H](N(O2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H17NO3/c20-17(13-7-3-1-4-8-13)16-15-11-12-21-18(15)22-19(16)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2/t15-,16+,18+/m0/s1
SMILES: C[C@@H]1CCC2[C@]13CCC(=C)[C@H](C3)[C@@]2(C)COC(=O)C
InChI: InChI=1S/C17H26O2/c1-11-7-8-17-9-14(11)16(4,10-19-13(3)18)15(17)6-5-12(17)2/h12,14-15H,1,5-10H2,2-4H3/t12-,14+,15?,16-,17+/m1/s1
SMILES: CC[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CCC4=C(C(=O)CC[C@@]4([C@H]3CC2)C)N=[N+]=[N-])C
InChI: InChI=1S/C21H29N3O2/c1-4-12-11-17(26)21(3)9-7-14-13(18(12)21)5-6-15-19(23-24-22)16(25)8-10-20(14,15)2/h12-14,18H,4-11H2,1-3H3/t12-,13+,14-,18-,20+,21+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(OC3=O)O)CCC=C2C)C(=O)O
InChI: InChI=1S/C20H28O5/c1-12-7-10-20(18(23)24)13(2)5-4-6-15(20)19(12,3)9-8-14-11-16(21)25-17(14)22/h5,11-12,15-16,21H,4,6-10H2,1-3H3,(H,23,24)/t12-,15-,16?,19+,20-/m1/s1
SMILES: CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C22H32N2O4S/c1-4-22(2,3)12-9-10-15-16(11-12)29-20(17(15)18(23)25)24-19(26)13-7-5-6-8-14(13)21(27)28/h12-14H,4-11H2,1-3H3,(H2,23,25)(H,24,26)(H,27,28)/t12-,13+,14-/m0/s1
SMILES: C1CN(CCC1N2C(=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(O6)CO)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)CC8=CC=CC=C8
InChI: InChI=1S/C37H30Cl2F5N3O6/c38-36-14-22-20(7-8-21-24(22)33(50)46(32(21)49)18-10-12-45(13-11-18)15-17-4-2-1-3-5-17)25(23-9-6-19(16-48)53-23)37(36,39)35(52)47(34(36)51)31-29(43)27(41)26(40)28(42)30(31)44/h1-7,9,18,21-22,24-25,48H,8,10-16H2/t21-,22+,24-,25+,36+,37-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C
InChI: InChI=1S/C23H30O3/c1-21-8-5-14(24)11-13(21)3-4-15-17(21)6-9-22(2)20(15)16-12-18(16)23(22)10-7-19(25)26-23/h11,15-18,20H,3-10,12H2,1-2H3/t15-,16-,17+,18+,20-,21+,22+,23+/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)NC3=CC=CC(=C3)C
InChI: InChI=1S/C22H28N4O2/c1-15-7-5-9-17(13-15)23-21(27)25-19-11-3-4-12-20(19)26-22(28)24-18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/t19-,20+
SMILES: CC1=CC=CC=C1CN2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI: InChI=1S/C19H17ClN4O3/c1-11-5-3-4-6-12(11)10-23-17-16(21-22-23)18(25)24(19(17)26)13-7-8-15(27-2)14(20)9-13/h3-9,16-17H,10H2,1-2H3/t16-,17-/m0/s1
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCCC3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@]4(CC[C@H]([C@@H](C4)OC)O)C)/C)O)C)OC)C)C)\C
InChI: InChI=1S/C44H71NO11/c1-11-31-20-26(3)18-25(2)19-27(4)39-36(53-9)21-29(6)44(52,56-39)40(49)41(50)45-17-13-12-14-32(45)42(51)55-38(30(7)34(47)22-35(31)48)28(5)23-43(8)16-15-33(46)37(24-43)54-10/h20,23,25,27,29-34,36-39,46-47,52H,11-19,21-22,24H2,1-10H3/b26-20+,28-23+/t25-,27-,29+,30+,31+,32?,33+,34-,36-,37+,38+,39+,43+,44+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)C(C#N)C#N
InChI: InChI=1S/C21H21N3O2/c1-24-8-7-21-17-6-4-14(13(10-22)11-23)19(21)15(24)9-12-3-5-16(25-2)20(26-17)18(12)21/h3-6,13-15,17,19H,7-9H2,1-2H3/t14-,15-,17+,19+,21-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H16FN3O5/c24-15-9-11-16(12-10-15)25-22(28)19-20(14-5-4-8-18(13-14)27(30)31)26(32-21(19)23(25)29)17-6-2-1-3-7-17/h1-13,19-21H/t19-,20+,21+/m0/s1
SMILES: C[C@H]1COCC2(C(O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CC=CC=N3)/C)Cl
InChI: InChI=1S/C26H37ClN2O6/c1-15(10-18-8-6-7-9-28-18)19-11-21-26(27,35-21)14-34-13-16(2)23(32)17(3)24(33)25(4,5)20(30)12-22(31)29-19/h6-10,16-17,19-21,23,30,32H,11-14H2,1-5H3,(H,29,31)/b15-10+/t16-,17+,19-,20-,21?,23-,26?/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5=CC(=O)OC5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,21+,22-,24-,25+,26-,27-,28+,29-/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3[C@@H](/C=C\C=C(\[C@H]([C@H]4C[C@@H]([C@@H](O4)[C@@H](/C=C/[C@H](C)CC(=O)OC)O)OC(=O)[C@@H]1O2)O)/Cl)OC(O3)(C)C
InChI: InChI=1S/C28H39ClO10/c1-14(11-22(31)34-5)9-10-17(30)25-21-13-19(35-25)23(32)16(29)7-6-8-18-26(39-28(3,4)38-18)20-12-15(2)24(36-20)27(33)37-21/h6-10,14-15,17-21,23-26,30,32H,11-13H2,1-5H3/b8-6-,10-9+,16-7-/t14-,15+,17+,18+,19+,20+,21-,23+,24+,25-,26+/m0/s1