EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1O[C@@H]2[C@H]([C@H](O1)[C@@H]([C@@H]([C@H]2O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C22H26O6/c1-14-27-19-17(23)20(25-12-15-8-4-2-5-9-15)22(21(28-14)18(19)24)26-13-16-10-6-3-7-11-16/h2-11,14,17-24H,12-13H2,1H3/t14-,17-,18+,19-,20+,21-,22+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)NN(CC(=O)O)C(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](C)C(=O)NCC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3)O
InChI: InChI=1S/C39H51N7O14/c1-21(2)17-27(43-39(58)59-20-25-13-9-6-10-14-25)35(54)42-26(15-16-28(48)49)34(53)44-30(23(4)47)36(55)45-46(19-29(50)51)38(57)32-31(60-32)37(56)41-22(3)33(52)40-18-24-11-7-5-8-12-24/h5-14,21-23,26-27,30-32,47H,15-20H2,1-4H3,(H,40,52)(H,41,56)(H,42,54)(H,43,58)(H,44,53)(H,45,55)(H,48,49)(H,50,51)/t22-,23+,26-,27-,30-,31-,32-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@@H](C=CO1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H52O4Si3/c1-22(2,3)29(10,11)26-18-20-21(28-31(14,15)24(7,8)9)19(16-17-25-20)27-30(12,13)23(4,5)6/h16-17,19-21H,18H2,1-15H3/t19-,20-,21-/m1/s1
SMILES: CCC(=O)N(CC1=CC(=CC(=C1)OC)OC)C[C@]2(CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CCC5=O)C)C)O
InChI: InChI=1S/C32H47NO5/c1-6-29(35)33(19-21-15-23(37-4)17-24(16-21)38-5)20-32(36)14-13-30(2)22(18-32)7-8-25-26-9-10-28(34)31(26,3)12-11-27(25)30/h15-17,22,25-27,36H,6-14,18-20H2,1-5H3/t22-,25-,26-,27-,30-,31-,32+/m0/s1
SMILES: CC[C@@]1([C@@H]([C@H](C(O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)[C@@H](COC(=O)C)OC(=O)C
InChI: InChI=1S/C28H34O9/c1-5-28(24(35-20(3)30)18-32-19(2)29)26(34-17-23-14-10-7-11-15-23)25(27(37-28)36-21(4)31)33-16-22-12-8-6-9-13-22/h6-15,24-27H,5,16-18H2,1-4H3/t24-,25-,26-,27?,28+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H17ClN2O3/c1-2-25-19(24)17-15(12-8-10-14(20)11-9-12)16(21-22-17)18(23)13-6-4-3-5-7-13/h3-11,15,17,22H,2H2,1H3/t15-,17-/m0/s1
SMILES: CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3
InChI: InChI=1S/C13H14N2O3S2/c1-9(16)14-13-15(10-5-3-2-4-6-10)11-7-20(17,18)8-12(11)19-13/h2-6,11-12H,7-8H2,1H3/t11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C\2/C[C@H]3[C@H]2CC=C3
InChI: InChI=1S/C16H17N3O2/c1-10-5-7-12(8-6-10)17-15(20)16(21)19-18-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,20)(H,19,21)/b18-14-/t11-,13+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1SC2=CC=CC=C2)O)CBr)OC(=O)CCl
InChI: InChI=1S/C20H30BrClO5SSi/c1-4-29(5-2,6-3)27-18-17(26-16(23)13-22)15(12-21)25-20(24)19(18)28-14-10-8-7-9-11-14/h7-11,15,17-20,24H,4-6,12-13H2,1-3H3/t15-,17-,18+,19-,20+/m1/s1
SMILES: C=CCCCO[C@H]1[C@H]2[C@H]([C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)OCCO2
InChI: InChI=1S/C20H26O6/c1-2-3-7-10-23-20-18-17(21-11-12-22-18)16-15(25-20)13-24-19(26-16)14-8-5-4-6-9-14/h2,4-6,8-9,15-20H,1,3,7,10-13H2/t15-,16-,17+,18-,19-,20-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC5=CC=CC=C5
InChI: InChI=1S/C34H32Cl3NO10/c1-19(39)45-29-28(42-16-21-10-4-3-5-11-21)27(47-31(30(29)46-20(2)40)48-32(38)34(35,36)37)18-44-33(41)43-17-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-15,26-31,38H,16-18H2,1-2H3/t27-,28-,29+,30-,31?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C(=O)N)SC4=C2SC(=O)N4
InChI: InChI=1S/C16H13N3O5S2/c1-24-7-4-2-6(3-5-7)8-9-11(14(21)19(13(9)20)15(17)22)25-12-10(8)26-16(23)18-12/h2-5,8-9,11H,1H3,(H2,17,22)(H,18,23)/t8-,9-,11+/m1/s1
SMILES: CC(=C)[C@@H]1C[C@@]2([C@@H]3[C@H]1C[C@](C2=O)([C@@H](C3)OC(=O)C)C)C
InChI: InChI=1S/C17H24O3/c1-9(2)11-7-16(4)13-6-14(20-10(3)18)17(5,15(16)19)8-12(11)13/h11-14H,1,6-8H2,2-5H3/t11-,12-,13-,14+,16+,17-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=CC(=C4C)C
InChI: InChI=1S/C24H25NO4/c1-14-10-11-19-20(12-14)23(27)25(22(19)26)18-8-5-7-17(13-18)24(28)29-21-9-4-6-15(2)16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3/t14-,19-,20+/m1/s1
SMILES: CCCCOC(=O)C([C@H]1[C@@H]([C@@]([C@H](CN1OC(=O)NCC)O)(CO)O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI: InChI=1S/C24H38N4O10/c1-3-5-10-37-22(34)18(27-21(33)16(25)11-14-6-8-15(30)9-7-14)19-20(32)24(36,13-29)17(31)12-28(19)38-23(35)26-4-2/h6-9,16-20,29-32,36H,3-5,10-13,25H2,1-2H3,(H,26,35)(H,27,33)/t16-,17-,18?,19-,20-,24-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)COCC5=CC=CC=C5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C56H55NO14/c1-37(58)57-46-49(70-54(61)43-30-18-7-19-31-43)47(69-53(60)42-28-16-6-17-29-42)45(36-66-52(59)41-26-14-5-15-27-41)68-56(46)71-48-44(35-63-32-38-20-8-2-9-21-38)67-55(62)51(65-34-40-24-12-4-13-25-40)50(48)64-33-39-22-10-3-11-23-39/h2-31,44-51,55-56,62H,32-36H2,1H3,(H,57,58)/t44-,45-,46+,47-,48-,49-,50+,51-,55+,56+/m1/s1
SMILES: CC(=C)C1CCC2(C1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20?,21-,22+,23-,24+,25?,27+,28-,29-,30?/m1/s1
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CC[C@@H]3CCCC[C@H]3C2
InChI: InChI=1S/C17H24N2O4S/c1-23-16-7-6-14(24(18,21)22)10-15(16)17(20)19-9-8-12-4-2-3-5-13(12)11-19/h6-7,10,12-13H,2-5,8-9,11H2,1H3,(H2,18,21,22)/t12-,13-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)CC(=O)NC1CC1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H27N3O6/c1-11(22-17(25)13-5-3-4-6-14(13)18(22)26)19(27)28-10-16(24)21(2)9-15(23)20-12-7-8-12/h11-14H,3-10H2,1-2H3,(H,20,23)/t11-,13+,14+/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl)C(C)(C)C
InChI: InChI=1S/C37H41Cl6F5N2O13Si/c1-34(2,3)64(35(4,5)6)59-14-19-26(63-64)28(62-33(54)58-16-37(41,42)43)25(50-32(53)57-15-36(38,39)40)30(60-19)55-13-18(49-31(52)56-12-17-10-8-7-9-11-17)29(51)61-27-23(47)21(45)20(44)22(46)24(27)48/h7-11,18-19,25-26,28,30H,12-16H2,1-6H3,(H,49,52)(H,50,53)/t18-,19+,25+,26-,28+,30-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC3=NC(=CS3)C
InChI: InChI=1S/C14H17N3O5S/c1-7-4-17(13(20)16-12(7)19)11-3-9(10(5-18)21-11)22-14-15-8(2)6-23-14/h4,6,9-11,18H,3,5H2,1-2H3,(H,16,19,20)/t9-,10+,11+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H25NO2/c25-22(18-8-2-1-3-9-18)19-12-14-20(15-13-19)23(26)24-16-6-10-17-7-4-5-11-21(17)24/h1-3,8-9,12-15,17,21H,4-7,10-11,16H2/t17-,21+/m0/s1
SMILES: CN1[C@H]2C[C@H]([C@@H]1C(=C(C2)C3=CC4=CC=CC=C4C=C3)C(=O)OC)OCOC
InChI: InChI=1S/C22H25NO4/c1-23-17-11-18(16-9-8-14-6-4-5-7-15(14)10-16)20(22(24)26-3)21(23)19(12-17)27-13-25-2/h4-10,17,19,21H,11-13H2,1-3H3/t17-,19-,21-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC
InChI: InChI=1S/C19H28N2O6S/c1-13-8-5-6-11-17(13)20-18(22)14(2)27-19(23)15-9-7-10-16(12-15)28(24,25)21(3)26-4/h7,9-10,12-14,17H,5-6,8,11H2,1-4H3,(H,20,22)/t13-,14+,17+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41?/m1/s1
SMILES: CC1=C(C(=CC=C1)C)OP(=O)(C(C2=CN=CC=C2)O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI: InChI=1S/C24H27N6O7P/c1-14-6-4-7-15(2)21(14)37-38(34,23(32)17-8-5-9-26-11-17)35-13-19-18(28-29-25)10-20(36-19)30-12-16(3)22(31)27-24(30)33/h4-9,11-12,18-20,23,32H,10,13H2,1-3H3,(H,27,31,33)/t18-,19+,20+,23?,38?/m0/s1
SMILES: C[C@]1(CCC=C2[C@@H]1CC[C@H]3[C@]2(CCC[C@@]3(C)C(=O)OC)C)C=O
InChI: InChI=1S/C20H30O3/c1-18(13-21)10-5-7-15-14(18)8-9-16-19(15,2)11-6-12-20(16,3)17(22)23-4/h7,13-14,16H,5-6,8-12H2,1-4H3/t14-,16-,18-,19-,20+/m0/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5+,8+/m0/s1
SMILES: CC(C)[S@@](=O)O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C
InChI: InChI=1S/C15H26O7S/c1-8(2)23(16)22-11-10(9-7-17-14(3,4)19-9)18-13-12(11)20-15(5,6)21-13/h8-13H,7H2,1-6H3/t9-,10+,11-,12+,13+,23-/m0/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1CNC2CCCCC2)O)C3CC[C@@]4(C([C@H]3O)CCC4=C)C
InChI: InChI=1S/C25H43NO2/c1-17-9-10-21-23(28)22(12-14-24(17,21)2)25(3)13-11-20(27)15-18(25)16-26-19-7-5-4-6-8-19/h18-23,26-28H,1,4-16H2,2-3H3/t18-,20+,21?,22?,23-,24+,25+/m1/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCNC(=O)N)NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C47H44N8O7/c48-45(60)49-20-9-11-30-18-19-35-34(29-30)47(44(59)52-35)37(42(57)53-23-25-54(26-24-53)46-50-21-10-22-51-46)39-43(58)62-40(32-14-5-2-6-15-32)38(31-12-3-1-4-13-31)55(39)41(47)33-16-7-8-17-36(33)61-28-27-56/h1-8,10,12-19,21-22,29,37-41,56H,20,23-28H2,(H,52,59)(H3,48,49,60)/t37-,38-,39-,40+,41+,47-/m0/s1
SMILES: CN(C)C(=S)OC1=CC=CC2=C1CC[C@H]([C@@H]2N(C)C(=O)CC3=CC(=C(C=C3)Cl)Cl)N4CCCC4
InChI: InChI=1S/C26H31Cl2N3O2S/c1-29(2)26(34)33-23-8-6-7-19-18(23)10-12-22(31-13-4-5-14-31)25(19)30(3)24(32)16-17-9-11-20(27)21(28)15-17/h6-9,11,15,22,25H,4-5,10,12-14,16H2,1-3H3/t22-,25-/m1/s1
SMILES: CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)CNCCN5CCCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI: InChI=1S/C34H43N11O3/c1-2-45-41-32(40-42-45)30-28(46)29(47)34(48-30)44-22-37-27-31(36-20-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24)38-26(39-33(27)44)21-35-16-19-43-17-10-5-11-18-43/h3-4,6-9,12-15,22,25,28-30,34-35,46-47H,2,5,10-11,16-21H2,1H3,(H,36,38,39)/t28-,29+,30-,34+/m0/s1
SMILES: C[C@]1\2CC[C@@H]3[C@H]([C@@H]1CC/C2=N\NC(=O)C4=CC=NC=C4)CC[C@@H]5[C@@]3(CC=CC5)C
InChI: InChI=1S/C25H33N3O/c1-24-13-4-3-5-18(24)6-7-19-20-8-9-22(25(20,2)14-10-21(19)24)27-28-23(29)17-11-15-26-16-12-17/h3-4,11-12,15-16,18-21H,5-10,13-14H2,1-2H3,(H,28,29)/b27-22+/t18-,19+,20+,21-,24+,25+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@H]([C@H]([C@@H](O2)N3C=CN=C3)OC(=O)C)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C32H34N2O8S/c1-24-13-15-28(16-14-24)43(36,37)40-22-32(21-38-19-26-9-5-3-6-10-26)30(39-20-27-11-7-4-8-12-27)29(41-25(2)35)31(42-32)34-18-17-33-23-34/h3-18,23,29-31H,19-22H2,1-2H3/t29-,30+,31-,32+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)N)N=C[C@@H]2C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F
InChI: InChI=1S/C19H23FN4O3/c20-13-7-5-12(6-8-13)9-10-24-18(26)14(17(25)23-19(24)27)11-22-16-4-2-1-3-15(16)21/h5-8,11,14-16H,1-4,9-10,21H2,(H,23,25,27)/t14-,15-,16+/m1/s1
SMILES: CCC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)CO
InChI: InChI=1S/C27H23NO3/c1-2-16-9-3-8-14-21(16)28-25(30)23-22-17-10-4-6-12-19(17)27(15-29,24(23)26(28)31)20-13-7-5-11-18(20)22/h3-14,22-24,29H,2,15H2,1H3/t22?,23-,24-,27?/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[N@+](CC3)(C)CC(=O)NC4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C28H27F2N3O2/c1-18-3-12-25-23(15-18)24-16-33(2,17-27(34)31-22-10-8-21(30)9-11-22)14-13-26(24)32(25)28(35)19-4-6-20(29)7-5-19/h3-12,15,24,26H,13-14,16-17H2,1-2H3/p+1/t24-,26-,33+/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C
InChI: InChI=1S/C26H21NO2/c1-15-8-7-9-16(14-15)27-24(28)22-21-17-10-3-5-12-19(17)26(2,23(22)25(27)29)20-13-6-4-11-18(20)21/h3-14,21-23H,1-2H3/t21?,22-,23-,26?/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C22H31NO5/c1-14(2)18-10-7-16(4)11-19(18)28-21(25)13-27-20(24)12-23-22(26)17-8-5-15(3)6-9-17/h5-6,8-9,14,16,18-19H,7,10-13H2,1-4H3,(H,23,26)/t16-,18+,19+/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOCC2=CC=CC=C2)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
InChI: InChI=1S/C52H77N3O8/c1-5-9-10-11-12-13-14-15-19-28-48(58)55(31-6-2)47-37-45(54-61-38-39-24-17-16-18-25-39)43-35-40(26-20-22-32-56)42(27-21-23-33-57)49-44-36-41(62-51(59)53-8-4)29-30-46(44)63-52(47,50(43)49)60-34-7-3/h7,16-18,24-25,29-30,35-36,40,42,47,49-50,56-57H,3,5-6,8-15,19-23,26-28,31-34,37-38H2,1-2,4H3,(H,53,59)/t40-,42+,47-,49+,50+,52+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCCC(=O)NCC4=CC(=CC=C4)F)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C32H40FNO3/c1-32-16-15-27-26-14-12-25(37-2)18-22(26)11-13-28(27)31(32)23(19-29(32)35)8-4-3-5-10-30(36)34-20-21-7-6-9-24(33)17-21/h6-7,9,12,14,17-18,23,27-28,31H,3-5,8,10-11,13,15-16,19-20H2,1-2H3,(H,34,36)/t23-,27-,28-,31+,32-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(40-18)4-38-43(36,41-42(33,34)35)37-3-7-11(28)13(30)17(39-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H2,20,21,22)(H,24,27,32)(H2,33,34,35)/t7?,8-,11-,12-,13-,14-,17-,18-,43?/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@H]1SC3=CC=CC=C3)[C@H]4CN2CC5=CC6=C(C=C45)OCO6
InChI: InChI=1S/C22H23NO2S/c1-2-4-15(5-3-1)26-16-6-7-20-18(9-16)19-12-23(20)11-14-8-21-22(10-17(14)19)25-13-24-21/h1-5,8,10,16,18-20H,6-7,9,11-13H2/t16-,18-,19-,20-/m0/s1
SMILES: CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3C=CC(=C4)C(=O)O)C
InChI: InChI=1S/C26H33NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h6-9,14-16,22-23H,10-13H2,1-5H3,(H,29,30)/t22-,23+,26-/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)O[C@]3([C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CO4
InChI: InChI=1S/C28H38O15/c1-13-20(22-24(26(33-8)36-13)42-27(6,7)41-22)43-28(19-10-9-11-34-19)25(39-17(5)32)23(38-16(4)31)21(37-15(3)30)18(40-28)12-35-14(2)29/h9-11,13,18,20-26H,12H2,1-8H3/t13-,18+,20-,21+,22+,23-,24+,25-,26+,28-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)C
InChI: InChI=1S/C16H17N3O3/c1-3-19-13(20)11-8(2)18-16(12(11)14(19)21)9-6-4-5-7-10(9)17-15(16)22/h4-8,11-12,18H,3H2,1-2H3,(H,17,22)/p+1/t8-,11-,12-,16+/m0/s1
SMILES: C1CCCC(CC1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H28N2O5/c23-17(21-14-7-3-1-2-4-8-14)13-27-18(24)11-12-22-19(25)15-9-5-6-10-16(15)20(22)26/h5-6,14-16H,1-4,7-13H2,(H,21,23)/t15-,16-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C20H26N2O5S/c1-14-7-8-15(2)18(13-14)28(26,27)22-11-9-21(10-12-22)19(23)16-5-3-4-6-17(16)20(24)25/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3,(H,24,25)/t16-,17-/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)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCC7(CC6)OCCO7
InChI: InChI=1S/C40H39F5N2O6/c1-23-30(21-47-15-13-40(14-16-47)50-17-18-51-40)52-39(53-37(23)27-7-5-24(22-48)6-8-27)28-11-9-26(10-12-28)29-4-2-3-25(19-29)20-46-38(49)31-32(41)34(43)36(45)35(44)33(31)42/h2-12,19,23,30,37,39,48H,13-18,20-22H2,1H3,(H,46,49)/t23-,30+,37+,39+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCCCN)CO)O)O
InChI: InChI=1S/C14H28N2O6/c1-9(18)16-11-13(20)12(19)10(8-17)22-14(11)21-7-5-3-2-4-6-15/h10-14,17,19-20H,2-8,15H2,1H3,(H,16,18)/t10-,11-,12+,13-,14-/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=CC=C(C=C8)OCCO)C(=O)N(C7=O)C9=CC(=C(C=C9)C(=O)O)O)C
InChI: InChI=1S/C43H37ClN4O9S/c1-20-28-16-22(44)6-13-33(28)58-37(20)31-19-34(46(3)45-31)48-39(52)30-18-29-25(36(43(30,2)42(48)56)21-4-8-24(9-5-21)57-15-14-49)11-12-27-35(29)40(53)47(38(27)51)23-7-10-26(41(54)55)32(50)17-23/h4-11,13,16-17,19,27,29-30,35-36,49-50H,12,14-15,18H2,1-3H3,(H,54,55)/t27-,29+,30-,35-,36-,43+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](N2P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N(C)C
InChI: InChI=1S/C24H25N2O2P/c1-18-14-16-19(17-15-18)22-23(24(27)25(2)3)26(22)29(28,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/t22-,23+,26?/m1/s1
SMILES: C[C@@H]1C[C@]2(C=C(C3(CC3)[C@@]([C@H]2C1=O)(C)O[Si](C)(C)C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H44O3Si2/c1-17-14-23(16-26-29(10,11)21(3,4)5)15-18(2)24(12-13-24)22(6,20(23)19(17)25)27-28(7,8)9/h15,17,20H,12-14,16H2,1-11H3/t17-,20-,22+,23+/m1/s1
SMILES: CCCCCCCC(=O)CCCCCC/C=C/[C@@H]1COC(=O)O[C@]1(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C31H52O8/c1-8-9-10-13-17-20-25(32)21-18-15-12-11-14-16-19-24-23-36-28(35)39-31(24,27(34)38-30(5,6)7)22-26(33)37-29(2,3)4/h16,19,24H,8-15,17-18,20-23H2,1-7H3/b19-16+/t24-,31+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2(CC2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H25ClN2O4/c1-13-4-2-3-5-16(13)22-19(26)23-17(24)12-27-18(25)20(10-11-20)14-6-8-15(21)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H2,22,23,24,26)/t13-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)NC(=O)C
InChI: InChI=1S/C19H24N4O4/c1-12-5-3-4-10-19(12)17(26)23(18(27)22-19)11-16(25)21-15-8-6-14(7-9-15)20-13(2)24/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,24)(H,21,25)(H,22,27)/t12-,19+/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C19H15F4N3O2/c1-10-15(16(26-18(28)24-10)13-7-2-3-8-14(13)20)17(27)25-12-6-4-5-11(9-12)19(21,22)23/h2-9,15-16H,1H2,(H,25,27)(H2,24,26,28)/t15-,16+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16+,17+,20+,21-/m0/s1
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)C)C(=O)CO
InChI: InChI=1S/C25H34O5/c1-5-22(29)30-25(21(28)14-26)15(2)12-20-18-7-6-16-13-17(27)8-10-23(16,3)19(18)9-11-24(20,25)4/h9,13,15,18,20,26H,5-8,10-12,14H2,1-4H3/t15-,18+,20-,23-,24-,25-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3=CC(=C(C=C3)C)C
InChI: InChI=1S/C20H26N4O4/c1-12-7-8-15(10-13(12)2)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)9-5-4-6-14(20)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,23,28)(H2,21,22,25,27)/t14-,20+/m0/s1
SMILES: CC(C)(C)OC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)N)N)N)O)O
InChI: InChI=1S/C17H34N4O8/c1-17(2,3)29-16(26)21-5-8-11(23)12(24)9(20)15(27-8)28-14-7(19)4-6(18)10(22)13(14)25/h6-15,22-25H,4-5,18-20H2,1-3H3,(H,21,26)/t6-,7+,8-,9-,10+,11-,12-,13-,14-,15-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CS(=O)(=O)O)O)N)O
InChI: InChI=1S/C27H29NO13S/c1-10-22(30)13(28)6-17(40-10)41-15-8-27(35,16(29)9-42(36,37)38)7-12-19(15)26(34)21-20(24(12)32)23(31)11-4-3-5-14(39-2)18(11)25(21)33/h3-5,10,13,15,17,22,30,32,34-35H,6-9,28H2,1-2H3,(H,36,37,38)/t10-,13+,15-,17-,22+,27-/m0/s1
SMILES: COCO[C@@H]1CCSC[C@@H]1[C@H]2[C@H]3CSCC[C@@H]3OC(=O)O2
InChI: InChI=1S/C14H22O5S2/c1-16-8-17-11-2-4-20-6-9(11)13-10-7-21-5-3-12(10)18-14(15)19-13/h9-13H,2-8H2,1H3/t9-,10-,11+,12-,13-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13+,14-,17-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@@H](O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11+,12-,13+,14+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1[C@H](C=C3[C@@]2([C@@H](OC3)O)O)O)(C)C
InChI: InChI=1S/C15H24O4/c1-13(2)5-4-6-14(3)11(13)10(16)7-9-8-19-12(17)15(9,14)18/h7,10-12,16-18H,4-6,8H2,1-3H3/t10-,11-,12+,14-,15-/m0/s1
SMILES: CCN1CC=C2[C@@H](C1)[C@]3([C@H](C(=N)C2(C#N)C#N)C#N)C4=CC=CC=C4N(C3=O)CC=C
InChI: InChI=1S/C24H22N6O/c1-3-10-30-20-8-6-5-7-17(20)24(22(30)31)18(12-25)21(28)23(14-26,15-27)16-9-11-29(4-2)13-19(16)24/h3,5-9,18-19,28H,1,4,10-11,13H2,2H3/t18-,19+,24+/m0/s1
SMILES: CC(C)[C@@H]1[C@H]2CCCCCCCCC(C[C@@H]1[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)O)O
InChI: InChI=1S/C24H48O3Si/c1-17(2)21-19-15-13-11-9-8-10-12-14-18(25)16-20(21)22(26)23(19)27-28(6,7)24(3,4)5/h17-23,25-26H,8-16H2,1-7H3/t18?,19-,20+,21-,22-,23-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@@H](O1)C2=CC=CC=C2)C[S+]3C[C@H]([C@@H]([C@H]3COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OS(=O)(=O)[O-]
InChI: InChI=1S/C37H40O9S2/c38-48(39,40)46-32-24-44-37(31-19-11-4-12-20-31)45-33(32)26-47-27-34(42-22-29-15-7-2-8-16-29)36(43-23-30-17-9-3-10-18-30)35(47)25-41-21-28-13-5-1-6-14-28/h1-20,32-37H,21-27H2/t32-,33+,34+,35+,36-,37+,47?/m0/s1
SMILES: CCCCC[C@@H](CCCC=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@H]6[C@H](O5)CO[C@H](O6)C7=CC=CC=C7)O)O
InChI: InChI=1S/C51H64O11/c1-3-5-11-29-40(30-12-6-4-2)58-51-48(62-50-44(53)43(52)45-42(59-50)35-57-49(61-45)39-27-19-10-20-28-39)47(56-33-38-25-17-9-18-26-38)46(55-32-37-23-15-8-16-24-37)41(60-51)34-54-31-36-21-13-7-14-22-36/h3,7-10,13-28,40-53H,1,4-6,11-12,29-35H2,2H3/t40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+,51-/m1/s1
SMILES: C[C@@]1(CC[C@H]2[C@@H](O1)C3=CC=CC=C3OC2(C)C)C#CCN4CCCCC4
InChI: InChI=1S/C23H31NO2/c1-22(2)19-12-14-23(3,13-9-17-24-15-7-4-8-16-24)26-21(19)18-10-5-6-11-20(18)25-22/h5-6,10-11,19,21H,4,7-8,12,14-17H2,1-3H3/t19-,21-,23-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)C[C@@]([C@H](C[C@@H]3[C@](C2=O)([C@H](CC3(C)C)OC(=O)C)C)O)(C)O
InChI: InChI=1S/C23H38O6/c1-12-8-14-15(19(12)28-7)10-22(5,27)17(25)9-16-21(3,4)11-18(29-13(2)24)23(16,6)20(14)26/h12,14-19,25,27H,8-11H2,1-7H3/t12-,14+,15+,16+,17+,18+,19+,22-,23+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)OC)O
InChI: InChI=1S/C17H17NO4S/c1-21-11-5-3-10(4-6-11)16-15(19)17(20)18-13-8-7-12(22-2)9-14(13)23-16/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16+/m1/s1
SMILES: C1=CC=C(C=C1)COC2[C@@H]([C@H](OC2N3C=CC=NC3=O)COP(=O)(O)OCCN)O
InChI: InChI=1S/C18H24N3O8P/c19-7-10-27-30(24,25)28-12-14-15(22)16(26-11-13-5-2-1-3-6-13)17(29-14)21-9-4-8-20-18(21)23/h1-6,8-9,14-17,22H,7,10-12,19H2,(H,24,25)/t14-,15-,16?,17?/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=C(S4)C)O)C)C)O)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C38H48N2O4S/c1-5-22-40(36(43)39-29-11-7-6-8-12-29)25-38(44)21-19-33-31-17-15-28(24-32(31)35(42)34-18-14-27(3)45-34)23-30(41)16-13-26(2)10-9-20-37(33,38)4/h6-8,10-12,14-15,17-18,24,30,33,41,44H,5,9,13,16,19-23,25H2,1-4H3,(H,39,43)/t30-,33-,37-,38+/m0/s1
SMILES: CCOC(=O)[C@]12CCCC[C@]1([C@@]3([C@H]2C(=O)CC3)C(=O)OC)OC(=O)C
InChI: InChI=1S/C18H24O7/c1-4-24-15(22)16-8-5-6-9-18(16,25-11(2)19)17(14(21)23-3)10-7-12(20)13(16)17/h13H,4-10H2,1-3H3/t13-,16+,17-,18-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19+,20-,21-/m1/s1
SMILES: CCOC(=O)C1=CN(S(=O)(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H26N2O14S/c1-6-31-20(28)13-7-22(37(29,30)21-18(13)27)19-17(35-12(5)26)16(34-11(4)25)15(33-10(3)24)14(36-19)8-32-9(2)23/h7,14-17,19H,6,8H2,1-5H3,(H,21,27)/t14-,15-,16+,17-,19-/m1/s1
SMILES: CC(C)[C@H]1C[C@@H](C2=CC3=C([C@@H](CC[C@]3(CC[C@]12C)C)O)CO)O
InChI: InChI=1S/C20H32O3/c1-12(2)14-10-18(23)16-9-15-13(11-21)17(22)5-6-19(15,3)7-8-20(14,16)4/h9,12,14,17-18,21-23H,5-8,10-11H2,1-4H3/t14-,17-,18+,19+,20-/m1/s1
SMILES: C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O
InChI: InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,15-18,23H,3-12H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+/m0/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC3=CC(=CC=C3)SC
InChI: InChI=1S/C18H27N3OS/c1-3-13-12-21-8-7-14(13)9-16(21)11-19-18(22)20-15-5-4-6-17(10-15)23-2/h4-6,10,13-14,16H,3,7-9,11-12H2,1-2H3,(H2,19,20,22)/t13-,14-,16+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@H](CC2C(O2)(CC3C1C3)C)/C(=C/C4=CSC(=N4)C)/C)O)(C)C)C)O
InChI: InChI=1S/C28H41NO6S/c1-14(8-19-13-36-17(4)29-19)21-10-23-28(7,35-23)12-18-9-20(18)15(2)25(32)16(3)26(33)27(5,6)22(30)11-24(31)34-21/h8,13,15-16,18,20-23,25,30,32H,9-12H2,1-7H3/b14-8+/t15-,16+,18?,20?,21+,22-,23?,25-,28?/m0/s1