EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@@H]2[C@H](C=C1)[C@@H](CN2CC3=CC=CC=C3)CC(C4=CC=CC=C4)O
InChI: InChI=1S/C23H27NO/c25-23(19-11-5-2-6-12-19)15-20-17-24(16-18-9-3-1-4-10-18)22-14-8-7-13-21(20)22/h1-7,9-13,20-23,25H,8,14-17H2/t20-,21-,22-,23?/m1/s1
SMILES: CCC1([C@@H]([C@H](CC2=C1C=C(C=C2)O)SCCC(=O)OCC)N)CC
InChI: InChI=1S/C19H29NO3S/c1-4-19(5-2)15-12-14(21)8-7-13(15)11-16(18(19)20)24-10-9-17(22)23-6-3/h7-8,12,16,18,21H,4-6,9-11,20H2,1-3H3/t16-,18+/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C2([C@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C29H23NO4/c1-17(31)26-25(19-11-14-20(34-2)15-12-19)29(27(32)21-8-4-5-9-22(21)28(29)33)24-16-13-18-7-3-6-10-23(18)30(24)26/h3-16,24-26H,1-2H3/t24-,25-,26-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CSC=C3)CCCO
InChI: InChI=1S/C22H32N2O5S/c1-2-28-22-17(6-4-12-25)18(16-8-13-30-15-16)14-19(29-22)21(27)23-9-5-11-24-10-3-7-20(24)26/h8,13-15,17-18,22,25H,2-7,9-12H2,1H3,(H,23,27)/t17-,18+,22+/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C24H27N5O2/c30-24(25-19-7-3-1-4-8-19)23-16-28-12-11-18(23)13-21(28)15-29-14-20(26-27-29)17-31-22-9-5-2-6-10-22/h1-10,14,18,21,23H,11-13,15-17H2,(H,25,30)/p+1/t18-,21-,23+/m1/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)NC56CC7CC(C5)CC(C7)C6)CN8CCC[C@H]8CN9CCCC9
InChI: InChI=1S/C46H60N4O4/c1-31-42(29-50-18-6-11-41(50)28-49-16-2-3-17-49)53-44(54-43(31)37-14-12-32(30-51)13-15-37)40-10-5-9-39(23-40)38-8-4-7-33(22-38)27-47-45(52)48-46-24-34-19-35(25-46)21-36(20-34)26-46/h4-5,7-10,12-15,22-23,31,34-36,41-44,51H,2-3,6,11,16-21,24-30H2,1H3,(H2,47,48,52)/t31-,34?,35?,36?,41-,42+,43+,44+,46?/m0/s1
SMILES: CCC(C)NC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)N)OC(O2)(C)C
InChI: InChI=1S/C17H24N6O4/c1-5-8(2)22-15(24)11-10-12(27-17(3,4)26-10)16(25-11)23-7-21-9-13(18)19-6-20-14(9)23/h6-8,10-12,16H,5H2,1-4H3,(H,22,24)(H2,18,19,20)/t8?,10-,11+,12-,16-/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-23,25H,6-16H2,1-5H3/t18-,19+,21-,22-,23+,25+,26-,27+/m0/s1
SMILES: C[C@@H](/C=C/C(C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=O)OC(=O)C)C)C(C)C
InChI: InChI=1S/C29H44O3/c1-19(2)20(3)9-10-21(4)26-14-15-27-23(8-7-17-29(26,27)6)11-12-24-18-25(32-22(5)30)13-16-28(24)31/h9-12,19-21,25-27H,7-8,13-18H2,1-6H3/b10-9+,23-11+,24-12-/t20-,21?,25-,26+,27?,29+/m0/s1
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)C)\C
InChI: InChI=1S/C42H67NO11/c1-9-30-19-24(2)18-25(3)20-37(52-8)35-16-13-27(5)42(50,54-35)39(47)40(48)43-17-11-10-12-31(43)41(49)53-38(28(6)33(45)23-34(30)46)26(4)21-29-14-15-32(44)36(22-29)51-7/h19,21,25,27-33,35-38,44-45,50H,9-18,20,22-23H2,1-8H3/b24-19+,26-21+/t25-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37-,38+,42+/m0/s1
SMILES: C[NH+]1[C@H]2CC[C@@H]1[C@@H](C2)[NH2+]CC3=CC=CC=C3
InChI: InChI=1S/C14H20N2/c1-16-12-7-8-14(16)13(9-12)15-10-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/p+2/t12-,13+,14+/m0/s1
SMILES: C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
InChI: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1
SMILES: COC1O[C@@H]([C@H](O1)COCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI: InChI=1S/C20H24O5/c1-21-20-24-18(14-22-12-16-8-4-2-5-9-16)19(25-20)15-23-13-17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19-/m1/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)OC)CC7=C6C(=C(C=C7)O)O4)CC8CC8
InChI: InChI=1S/C28H30N2O3/c1-29-20-6-4-3-5-18(20)19-14-28(32-2)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)29)11-12-30(22)15-16-7-8-16/h3-6,9-10,16,22,26,31H,7-8,11-15H2,1-2H3/t22-,26+,27+,28-/m1/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=CC9=CC=CC=C98)O)C(=O)N(C7=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C
InChI: InChI=1S/C46H33ClF6N4O5S/c1-20-29-17-24(47)9-13-34(29)63-39(20)32-19-35(55(3)54-32)57-41(60)31-18-30-27(38(44(31,2)43(57)62)37-26-7-5-4-6-21(26)8-12-33(37)58)10-11-28-36(30)42(61)56(40(28)59)25-15-22(45(48,49)50)14-23(16-25)46(51,52)53/h4-10,12-17,19,28,30-31,36,38,58H,11,18H2,1-3H3/t28-,30+,31-,36-,38+,44+/m0/s1
SMILES: CC(=O)[C@@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)O)C)OC(=O)C
InChI: InChI=1S/C23H34O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,17-20,26H,5-12H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC(=C7O)C)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C
InChI: InChI=1S/C42H37N3O6/c1-23-12-16-28(17-13-23)43-45-39(49)34-22-33-30(20-21-31-35(33)40(50)44(38(31)48)29-18-14-26(15-19-29)25(3)46)36(32-11-7-8-24(2)37(32)47)42(34,41(45)51)27-9-5-4-6-10-27/h4-20,31,33-36,43,47H,21-22H2,1-3H3/t31-,33+,34-,35-,36+,42+/m0/s1
SMILES: C[C@H](C=O)[C@@H]1C[C@H](C[C@@H]([C@@H]1COC(=O)C(C)(C)C)[C@@H](CC(C)OC(=O)C(C)(C)C)[C@H](C=O)C(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C45H68O7Si/c1-30(2)39(28-47)37(24-32(4)51-42(49)44(8,9)10)38-26-33(25-36(31(3)27-46)40(38)29-50-41(48)43(5,6)7)52-53(45(11,12)13,34-20-16-14-17-21-34)35-22-18-15-19-23-35/h14-23,27-28,30-33,36-40H,24-26,29H2,1-13H3/t31-,32?,33-,36+,37-,38-,39-,40-/m1/s1
SMILES: CO[C@@H]1CCCN[C@H]1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SC)F
InChI: InChI=1S/C18H22FN3O3S/c1-25-16-4-3-5-20-15(16)6-11(23)9-22-10-21-14-8-13(19)17(26-2)7-12(14)18(22)24/h7-8,10,15-16,20H,3-6,9H2,1-2H3/t15-,16+/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=NC=NN5
InChI: InChI=1S/C33H36N4O6S/c1-21-28(19-44-33-35-20-36-37-33)42-32(43-31(21)25-10-8-22(18-38)9-11-25)26-14-12-24(13-15-26)27-5-2-4-23(16-27)17-34-29(39)6-3-7-30(40)41/h2,4-5,8-16,20-21,28,31-32,38H,3,6-7,17-19H2,1H3,(H,34,39)(H,40,41)(H,35,36,37)/t21-,28+,31+,32+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)N[C@H](CC(C)C)C(=O)N)NC
InChI: InChI=1S/C17H30N4O5/c1-8(2)5-12(15(18)24)21-17(26)10-6-11(14(23)13(22)7-10)20-16(25)9(3)19-4/h6,8-9,11-14,19,22-23H,5,7H2,1-4H3,(H2,18,24)(H,20,25)(H,21,26)/t9-,11+,12+,13+,14+/m0/s1
SMILES: CS(=O)(=O)NC1=CC=CC=C1C(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3
InChI: InChI=1S/C15H20N2O3S/c1-21(19,20)17-13-5-3-2-4-12(13)15(18)16-14-9-10-6-7-11(14)8-10/h2-5,10-11,14,17H,6-9H2,1H3,(H,16,18)/t10-,11+,14-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CSCC4=CC=CC=C4)/C(=C/[N+]#N)/O)NC(=O)N2
InChI: InChI=1S/C30H36N6O4S2/c31-32-16-25(37)23(18-41-17-21-11-5-2-6-12-21)34-29(39)22(15-20-9-3-1-4-10-20)33-27(38)14-8-7-13-26-28-24(19-42-26)35-30(40)36-28/h1-6,9-12,16,22-24,26,28H,7-8,13-15,17-19H2,(H4-,33,34,35,36,37,38,39,40)/p+1/b25-16-/t22-,23-,24+,26+,28+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCC4=C5CCC[C@H]5[C@@H]3C2=O)C
InChI: InChI=1S/C22H25NO2/c1-12-9-10-18(13(2)11-12)23-21(24)19-16-7-3-5-14(16)15-6-4-8-17(15)20(19)22(23)25/h9-11,16-17,19-20H,3-8H2,1-2H3/t16-,17+,19-,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI: InChI=1S/C20H27NO5/c1-13-5-4-6-16(14(13)2)21-19(23)12-26-20(24)10-8-15-7-9-17(22)18(11-15)25-3/h7-11,13-14,16,22H,4-6,12H2,1-3H3,(H,21,23)/b10-8+/t13-,14+,16+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C=N/NC(=O)C3=CC=CC=C3)O)C
InChI: InChI=1S/C15H18N2O5/c1-15(2)21-12-11(18)10(20-14(12)22-15)8-16-17-13(19)9-6-4-3-5-7-9/h3-8,10-12,14,18H,1-2H3,(H,17,19)/b16-8+/t10-,11+,12-,14-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=NC=CN=C4)C)[C@H](C)C(=O)N(C)CC5=CC=CC=C5)O
InChI: InChI=1S/C29H35N5O3S/c1-17(27(37)34(4)16-19-8-6-5-7-9-19)20-10-11-29(3)14-22-24(18(2)23(29)25(20)35)32-28(38-22)33-26(36)21-15-30-12-13-31-21/h5-9,12-13,15,17-18,20,23,25,35H,10-11,14,16H2,1-4H3,(H,32,33,36)/t17-,18-,20+,23+,25-,29-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NC(=S)NN2CCN(CC2)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H32N4O9S/c1-11(25)29-10-15-16(30-12(2)26)17(31-13(3)27)18(32-14(4)28)19(33-15)21-20(34)22-24-8-6-23(5)7-9-24/h15-19H,6-10H2,1-5H3,(H2,21,22,34)/t15-,16+,17+,18+,19-/m1/s1
SMILES: C[C@@H]([C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=C(C=C3)OC)[C@]4([NH2+]1)C5=C(C(=CC=C5)Cl)NC4=O)O
InChI: InChI=1S/C23H22ClN3O5/c1-11(28)18-16-17(23(26-18)14-4-3-5-15(24)19(14)25-22(23)31)21(30)27(20(16)29)10-12-6-8-13(32-2)9-7-12/h3-9,11,16-18,26,28H,10H2,1-2H3,(H,25,31)/p+1/t11-,16-,17+,18+,23+/m0/s1
SMILES: CC(C)[C@@H]1C(OC(=O)N1C(=O)[C@@H]([C@@H]2C(=O)C=C([C@@](O2)(CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)Br)OC)(C)C
InChI: InChI=1S/C40H52BrNO13/c1-24(2)35-39(3,4)55-38(46)42(35)36(45)33(48-5)30-27(44)20-29(41)40(47,54-30)18-13-19-50-34-32(52-23-26-16-11-8-12-17-26)31(28(21-43)53-37(34)49-6)51-22-25-14-9-7-10-15-25/h7-12,14-17,20,24,28,30-35,37,43,47H,13,18-19,21-23H2,1-6H3/t28-,30+,31-,32+,33-,34+,35-,37+,40+/m1/s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C[C@H]3[C@@H]2CC=C3
InChI: InChI=1S/C15H18N2O3S/c1-2-20-12-6-8-13(9-7-12)21(18,19)17-16-15-10-11-4-3-5-14(11)15/h3-4,6-9,11,14,17H,2,5,10H2,1H3/b16-15+/t11-,14-/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)CN)CN5CCOCC5
InChI: InChI=1S/C30H36N2O4/c1-21-28(19-32-13-15-34-16-14-32)35-30(36-29(21)25-7-5-22(20-33)6-8-25)26-11-9-24(10-12-26)27-4-2-3-23(17-27)18-31/h2-12,17,21,28-30,33H,13-16,18-20,31H2,1H3/t21-,28+,29+,30+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C/C4=CC=C(C=C4)C#N)/C2=O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C27H27NO2/c1-27-12-11-23-22-10-8-21(30-2)14-19(22)7-9-24(23)25(27)15-20(26(27)29)13-17-3-5-18(16-28)6-4-17/h3-6,8,10,13-14,23-25H,7,9,11-12,15H2,1-2H3/b20-13-/t23-,24-,25+,27+/m1/s1
SMILES: CCOC(=O)C([C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OC=O)OC=O)C)O)C(=O)OCC
InChI: InChI=1S/C33H52O10/c1-6-40-30(38)29(31(39)41-7-2)25(37)11-8-19(3)22-9-10-23-28-24(16-27(43-18-35)33(22,23)5)32(4)13-12-21(36)14-20(32)15-26(28)42-17-34/h17-29,36-37H,6-16H2,1-5H3/t19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,32+,33-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)N4CCN(CC4)C)O)(C)C)O)C)O)C=C
InChI: InChI=1S/C26H42N2O7/c1-8-23(4)15-17(30)26(33)24(5)16(29)9-10-22(2,3)19(24)18(31)20(25(26,6)35-23)34-21(32)28-13-11-27(7)12-14-28/h8,16,18-20,29,31,33H,1,9-15H2,2-7H3/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCCCC5
InChI: InChI=1S/C36H45N3O6/c1-3-43-33(41)22-38-36(42)37-21-27-9-7-10-29(19-27)30-11-8-12-31(20-30)35-44-32(23-39-17-5-4-6-18-39)25(2)34(45-35)28-15-13-26(24-40)14-16-28/h7-16,19-20,25,32,34-35,40H,3-6,17-18,21-24H2,1-2H3,(H2,37,38,42)/t25-,32+,34+,35+/m1/s1
SMILES: CCP(=O)(OCC1=CC=CC=C1)O[C@@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H39O7P/c1-2-43(36,40-26-31-21-13-6-14-22-31)42-35-34(39-25-30-19-11-5-12-20-30)33(38-24-29-17-9-4-10-18-29)32(41-35)27-37-23-28-15-7-3-8-16-28/h3-22,32-35H,2,23-27H2,1H3/t32-,33-,34-,35-,43?/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)COC(=O)C)C)O[C@H]1C=O
InChI: InChI=1S/C17H28O5/c1-11-5-7-17(21-15(11)9-18)8-6-12(2)16(22-17)13(3)10-20-14(4)19/h9,11-13,15-16H,5-8,10H2,1-4H3/t11-,12+,13-,15+,16-,17-/m1/s1
SMILES: C1C[C@H]2[C@@H]1C3=CC4=C(C=CC5=C4C=C(C=C5)[C@@H]6CC[C@@H]6C7=CC8=C(C=CC9=C8C=C2C=C9)C=C7)C=C3
InChI: InChI=1S/C36H28/c1-2-22-6-10-26-18-34(22)33-17-25(9-5-21(1)33)29-13-14-31(29)27-11-7-23-3-4-24-8-12-28(32-16-15-30(26)32)20-36(24)35(23)19-27/h1-12,17-20,29-32H,13-16H2/t29-,30-,31+,32+
SMILES: CC[Si](CC)(CC)C#CC[C@]1(C#CC2=C[C@@H]([C@H]([C@]23COC(O3)(C)C)O[Si](C)(C)C(C)(C)C)OC4=C(N=C(C=C4)[C@@H](CC(=O)OC[C@H]1OCOCC5=CC=C(C=C5)OC)NC(=O)OC(C)(C)C)Cl)O[Si](CC)(CC)CC
InChI: InChI=1S/C57H87ClN2O12Si3/c1-18-74(19-2,20-3)34-24-32-56(72-75(21-4,22-5)23-6)33-31-42-35-47(50(70-73(16,17)54(10,11)12)57(42)39-67-55(13,14)71-57)68-46-30-29-44(59-51(46)58)45(60-52(62)69-53(7,8)9)36-49(61)65-38-48(56)66-40-64-37-41-25-27-43(63-15)28-26-41/h25-30,35,45,47-48,50H,18-23,32,36-40H2,1-17H3,(H,60,62)/t45-,47+,48-,50-,56-,57+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)OC(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H22O6/c1-7(2)16-12-6-11(18-9(4)14)13(8(3)17-12)19-10(5)15/h7-8,11-13H,6H2,1-5H3/t8-,11-,12+,13-/m0/s1
SMILES: CC(C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)NC(=O)C
InChI: InChI=1S/C11H21NO6/c1-5(2)17-11-8(12-6(3)14)10(16)9(15)7(4-13)18-11/h5,7-11,13,15-16H,4H2,1-3H3,(H,12,14)/t7-,8-,9+,10-,11+/m0/s1
SMILES: C[C@@H](/C=C/[C@@]1([C@](CC(CC1(C)C)OC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC)(C)O)O)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC
InChI: InChI=1S/C33H38F6O8/c1-21(46-25(40)30(44-5,32(34,35)36)22-13-9-7-10-14-22)17-18-29(43)27(2,3)19-24(20-28(29,4)42)47-26(41)31(45-6,33(37,38)39)23-15-11-8-12-16-23/h7-18,21,24,42-43H,19-20H2,1-6H3/b18-17+/t21-,24?,28+,29+,30-,31-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)F)C(=O)N(C2=O)C)C
InChI: InChI=1S/C17H19FN2O4/c1-4-24-16(23)17(2)12-11(14(21)20(3)15(12)22)13(19-17)9-5-7-10(18)8-6-9/h5-8,11-13,19H,4H2,1-3H3/p+1/t11-,12-,13-,17-/m0/s1
SMILES: C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
InChI: InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC7=C(C=C6)NC=C7
InChI: InChI=1S/C29H28N8O4/c38-13-22-25(39)23(36-28(40)17-5-6-20-16(11-17)7-9-30-20)29(41-22)37-15-35-24-26(33-14-34-27(24)37)31-10-8-18-12-32-21-4-2-1-3-19(18)21/h1-7,9,11-12,14-15,22-23,25,29-30,32,38-39H,8,10,13H2,(H,36,40)(H,31,33,34)/t22-,23-,25-,29-/m1/s1
SMILES: CN1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C20H17N5O2/c1-25-5-4-13-14(7-21)19(24)20(9-22,10-23)18(15(13)8-25)12-2-3-16-17(6-12)27-11-26-16/h2-4,6,15,18H,5,8,11,24H2,1H3/t15-,18-/m0/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCCN4CCCC4=O
InChI: InChI=1S/C22H34N2O3/c1-15-6-3-8-22(2)13-19-16(12-18(15)22)17(21(26)27-19)14-23-9-5-11-24-10-4-7-20(24)25/h16-19,23H,1,3-14H2,2H3/t16-,17+,18-,19-,22-/m1/s1
SMILES: CC(=O)NC1=NC2=C(C(=N1)OCC3=CC=CC=C3I)N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)O)O)O
InChI: InChI=1S/C18H18IN5O6/c1-8(25)21-18-22-14-11(15(23-18)29-6-9-4-2-3-5-10(9)19)20-7-24(14)16-12(26)13(27)17(28)30-16/h2-5,7,12-13,16-17,26-28H,6H2,1H3,(H,21,22,23,25)/t12-,13+,16-,17+/m1/s1
SMILES: C1C[C@H](N2[C@@H](CO[C@@]3([C@@]2(C1)CCC3)O)C4=CC=CC=C4)C#N
InChI: InChI=1S/C18H22N2O2/c19-12-15-8-4-9-17-10-5-11-18(17,21)22-13-16(20(15)17)14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-11,13H2/t15-,16-,17+,18-/m0/s1
SMILES: C[C@H]1[C@H](N[C@@H]([C@@H](C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO/c1-13-17(15-9-5-3-6-10-15)20-18(14(2)19(13)21)16-11-7-4-8-12-16/h3-14,17-18,20H,1-2H3/t13-,14-,17-,18-/m0/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@@H]2C[C@H]1CC3=CC=C(C=C3)C(=O)O)C(=O)O
InChI: InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15+,16+/m1/s1
SMILES: C[C@H]1CCC[C@]2(O1)[C@@]3(CCC[C@@H](O3)C)O[C@H](CO2)CO
InChI: InChI=1S/C15H26O5/c1-11-5-3-7-14(18-11)15(8-4-6-12(2)19-15)20-13(9-16)10-17-14/h11-13,16H,3-10H2,1-2H3/t11-,12-,13-,14-,15+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C38H48N4O6/c1-38(2,3)40-36(46)32-24-42(37(47)48-25-27-14-8-5-9-15-27)19-18-41(32)23-30(43)21-29(20-26-12-6-4-7-13-26)35(45)39-34-31-17-11-10-16-28(31)22-33(34)44/h4-17,29-30,32-34,43-44H,18-25H2,1-3H3,(H,39,45)(H,40,46)/t29-,30+,32+,33-,34+/m1/s1
SMILES: CC(C)C#C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6)C)O
InChI: InChI=1S/C25H34O4/c1-17(2)4-9-22(26)10-7-19-18-5-11-23-16-24(27-14-15-28-24)12-13-25(23,29-23)20(18)6-8-21(19,22)3/h6,17-19,26H,5,7-8,10-16H2,1-3H3/t18-,19-,21-,22-,23+,25+/m0/s1
SMILES: C1CN2[C@@H]([C@H]3[C@@H](N2C1)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H18ClN3O2/c21-14-9-7-13(8-10-14)17-16-18(23-12-4-11-22(17)23)20(26)24(19(16)25)15-5-2-1-3-6-15/h1-3,5-10,16-18H,4,11-12H2/t16-,17+,18+/m0/s1
SMILES: C=C1C[C@@H]([C@H]2[S+]1C[C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C22H25O3S/c1-16-12-19(23)22-21(25-14-18-10-6-3-7-11-18)20(15-26(16)22)24-13-17-8-4-2-5-9-17/h2-11,19-23H,1,12-15H2/q+1/t19-,20+,21-,22+,26?/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
InChI: InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h8,13-16,18,22-23H,3-7,9-12H2,1-2H3/t13-,14+,15-,16-,18+,20-,21-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H26N2O6/c1-25-16-8-15(9-17(26-2)20(16)27-3)21-23-22-18(29-21)11-28-19(24)10-14-7-12-4-5-13(14)6-12/h8-9,12-14H,4-7,10-11H2,1-3H3/t12-,13+,14-/m0/s1
SMILES: CCCCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O
InChI: InChI=1S/C22H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-22-21(25)20(24)19(23)18(2)27-22/h18-25H,3-17H2,1-2H3/t18-,19+,20+,21-,22-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@]1(CCCC[C@@H]1CCC[Si](C)C2=CC=CC=C2)C=C
InChI: InChI=1S/C24H41OSi2/c1-8-24(25-27(6,7)23(2,3)4)19-13-12-15-21(24)16-14-20-26(5)22-17-10-9-11-18-22/h8-11,17-18,21H,1,12-16,19-20H2,2-7H3/t21-,24-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=NC=C5
InChI: InChI=1S/C23H19N3O3/c1-15-7-9-17(10-8-15)25-22(27)19-20(16-11-13-24-14-12-16)26(29-21(19)23(25)28)18-5-3-2-4-6-18/h2-14,19-21H,1H3/t19-,20+,21-/m0/s1
SMILES: CCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)CC
InChI: InChI=1S/C18H24N2O3/c1-4-6-11-23-17(21)15-12(3)19-18(22)20-16(15)14-9-7-13(5-2)8-10-14/h7-10,15-16H,3-6,11H2,1-2H3,(H2,19,20,22)/t15-,16+/m1/s1
SMILES: COC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5)OC
InChI: InChI=1S/C19H19NO4/c1-23-10-3-6-13(14(9-10)24-2)20-17(21)15-11-4-5-12(16(15)18(20)22)19(11)7-8-19/h3-6,9,11-12,15-16H,7-8H2,1-2H3/t11-,12+,15-,16-/m0/s1
SMILES: C1CC1CN2CC[C@]34C5C=C(C[C@]3(C2CC6=C4C(=C(C=C6)O)N5)O)C7=CC=CC=C7
InChI: InChI=1S/C26H28N2O2/c29-20-9-8-18-13-22-26(30)14-19(17-4-2-1-3-5-17)12-21-25(26,23(18)24(20)27-21)10-11-28(22)15-16-6-7-16/h1-5,8-9,12,16,21-22,27,29-30H,6-7,10-11,13-15H2/t21?,22?,25-,26-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@]([C@@H]2OCOC)(C3=CCCCC3=O)O)/C=C\OC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C26H34O6/c1-24(2)21-13-14-25(24,15-16-31-19-11-9-18(30-4)10-12-19)26(28,23(21)32-17-29-3)20-7-5-6-8-22(20)27/h7,9-12,15-16,21,23,28H,5-6,8,13-14,17H2,1-4H3/b16-15-/t21-,23-,25+,26-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C[S+](C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C[C@@H](C(=O)[O-])N
InChI: InChI=1S/C14H20N6O5S.C10H13N5O4/c1-26(2-6(15)14(23)24)3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h4-7,9-10,13,21-22H,2-3,15H2,1H3,(H2-,16,17,18,23,24);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,9+,10+,13+,26?;6-,7+,8+/m00/s1
SMILES: CC(C)C(C)C[C@H]([C@@](C)(C1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O
InChI: InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3/t16?,17-,19-,21+,22-,23?,24+,25+,26+,27+,28+/m0/s1
SMILES: C[NH2+]CCOCC1=C(C=CN=C1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-]
InChI: InChI=1S/C21H22ClN7O6S3/c1-24-4-5-35-7-9-6-25-3-2-10(9)37-11-8-36-19-14(18(31)29(19)15(11)20(32)33)26-17(30)13(28-34)12-16(22)38-21(23)27-12/h2-3,6,14,19,24,34H,4-5,7-8H2,1H3,(H2,23,27)(H,26,30)(H,32,33)/b28-13-/t14-,19-/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)O[C@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1
InChI: InChI=1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36-,39-,40-,49+,50+,52-,53-/m0/s1
SMILES: CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O/N=C(/C2=CSC(=N2)NC(=O)CCl)\C(=O)N[C@H]3[C@H](NC3=O)COC(=O)N
InChI: InChI=1S/C23H24ClN7O10S/c1-23(2,20(35)39-8-11-3-5-12(6-4-11)31(37)38)41-30-17(14-10-42-22(27-14)28-15(32)7-24)19(34)29-16-13(26-18(16)33)9-40-21(25)36/h3-6,10,13,16H,7-9H2,1-2H3,(H2,25,36)(H,26,33)(H,29,34)(H,27,28,32)/b30-17-/t13-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@@H]3CC[C@H]([C@@H]2C4=CC=C(C=C4)OC)N3C.Cl
InChI: InChI=1S/C22H27NO.ClH/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17;/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3;1H/t18-,20-,21+,22+;/m0./s1
SMILES: CC[Si](CC)(CC)O[C@@H]1CC[C@@H]([C@@H]1CC(=O)OC)CCCCCCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C38H62O4Si2/c1-8-43(9-2,10-3)42-36-29-28-32(35(36)31-37(39)40-7)23-17-13-11-12-14-22-30-41-44(38(4,5)6,33-24-18-15-19-25-33)34-26-20-16-21-27-34/h15-16,18-21,24-27,32,35-36H,8-14,17,22-23,28-31H2,1-7H3/t32-,35-,36+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@]([C@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O)O)O)CO
InChI: InChI=1S/C34H40O18/c1-17(37)48-31-24(14-35)51-34(16-36,32(31)50-27(41)11-7-19-5-9-21(39)23(13-19)46-3)52-33-30(44)29(43)28(42)25(49-33)15-47-26(40)10-6-18-4-8-20(38)22(12-18)45-2/h4-13,24-25,28-33,35-36,38-39,42-44H,14-16H2,1-3H3/b10-6+,11-7+/t24-,25-,28-,29+,30-,31-,32+,33-,34+/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=CC=C(O6)CO)C(=O)N(C5=O)C7CCCCC7
InChI: InChI=1S/C31H38N2O6/c34-16-19-11-14-24(39-19)26-20-12-13-21-25(30(37)32(28(21)35)17-7-3-1-4-8-17)22(20)15-23-27(26)31(38)33(29(23)36)18-9-5-2-6-10-18/h11-12,14,17-18,21-23,25-27,34H,1-10,13,15-16H2/t21-,22+,23+,25-,26+,27+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)CCC(=O)O)Cl
InChI: InChI=1S/C26H26Cl2N2O8/c1-29-23(36)25(27)12-17-15(6-7-16-19(17)22(35)30(21(16)34)9-8-18(32)33)20(26(25,28)24(29)37)13-2-4-14(5-3-13)38-11-10-31/h2-6,16-17,19-20,31H,7-12H2,1H3,(H,32,33)/t16-,17+,19-,20-,25+,26-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]([C@@H]3C[C@H]5[C@]2(C1)O5)CCC4=O)C)C
InChI: InChI=1S/C21H30O4/c1-12(22)24-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)23)14(16)10-18-21(20,11-13)25-18/h13-16,18H,4-11H2,1-3H3/t13-,14-,15+,16-,18-,19-,20+,21-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)ONC2=C3[C@@H]4C[C@H]([C@@H]3C(=O)C=C2C)C=C4
InChI: InChI=1S/C20H19NO3/c1-11-3-5-13(6-4-11)20(23)24-21-19-12(2)9-16(22)17-14-7-8-15(10-14)18(17)19/h3-9,14-15,17,21H,10H2,1-2H3/t14-,15+,17-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=O)NC3=O)OC(O2)(C)C
InChI: InChI=1S/C21H36N2O6Si/c1-12(2)30(13(3)4,14(5)6)26-11-15-17-18(29-21(7,8)28-17)19(27-15)23-10-9-16(24)22-20(23)25/h9-10,12-15,17-19H,11H2,1-8H3,(H,22,24,25)/t15-,17-,18-,19-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@H]([C@@H](C(=C2)C)OC(=O)C)OC(=O)[C@@H]3C[C@@]4([C@H](N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(C)CN6CCC7=C(C6)C(=C(C=C7)OC)OC
InChI: InChI=1S/C40H52ClN3O9/c1-21-17-29-26(22(2)19-44-16-15-25-12-14-32(49-6)35(50-7)27(25)20-44)13-11-23(3)40(29,48)36(34(21)51-24(4)45)52-37(46)31-18-39(47)28-9-8-10-30(41)33(28)43(5)53-38(39)42-31/h8-10,12,14,17,22-23,26,29,31,34,36,38,42,47-48H,11,13,15-16,18-20H2,1-7H3/t22?,23-,26+,29-,31+,34-,36+,38-,39-,40-/m1/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)O)O)O)N
InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2C[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)NC(=O)C
InChI: InChI=1S/C23H43NO10/c1-3-4-5-6-7-8-9-32-23-17(24-13(2)27)22(20(30)16(12-26)34-23)33-15-10-14(11-25)18(28)21(31)19(15)29/h14-23,25-26,28-31H,3-12H2,1-2H3,(H,24,27)/t14-,15-,16-,17-,18+,19+,20-,21+,22-,23-/m1/s1