EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18-,22+/m0/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)Br
InChI: InChI=1S/C45H35BrClFN4O6/c1-58-37-22-25(46)21-35(40(37)53)39-32-19-20-33-38(43(56)51(41(33)54)31-17-15-29(16-18-31)49-28-5-3-2-4-6-28)34(32)23-36-42(55)52(50-30-13-11-27(48)12-14-30)44(57)45(36,39)24-7-9-26(47)10-8-24/h2-19,21-22,33-34,36,38-39,49-50,53H,20,23H2,1H3/t33-,34+,36-,38-,39+,45+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
InChI: InChI=1S/C19H15ClN2O4/c20-16-6-5-11(22(25)26)9-15(16)18-13-3-1-2-12(13)14-8-10(19(23)24)4-7-17(14)21-18/h1-2,4-9,12-13,18,21H,3H2,(H,23,24)/t12-,13-,18-/m1/s1
SMILES: C1CC(=O)OC[C@H]([C@@H](C2=CC=C(C=C2)OC3=C(C=CC1=C3)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C25H24O6/c26-21-16-30-24(27)13-7-17-6-12-22(29-15-18-4-2-1-3-5-18)23(14-17)31-20-10-8-19(9-11-20)25(21)28/h1-6,8-12,14,21,25-26,28H,7,13,15-16H2/t21-,25-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CC=C3C#N
InChI: InChI=1S/C19H20N2O4/c20-11-13-5-1-2-6-14(13)12-25-17(22)9-10-21-18(23)15-7-3-4-8-16(15)19(21)24/h1-2,5-6,15-16H,3-4,7-10,12H2/t15-,16-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)C6=C(C(=C(C=C6)C)C)NC5=O)Br
InChI: InChI=1S/C25H24BrN3O3/c1-12-6-9-17(16(26)11-12)29-22(30)19-18-5-4-10-28(18)25(20(19)23(29)31)15-8-7-13(2)14(3)21(15)27-24(25)32/h6-9,11,18-20H,4-5,10H2,1-3H3,(H,27,32)/p+1/t18-,19+,20+,25-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=C[C@H]3C=CC=C[C@@H]3OC2=O)C
InChI: InChI=1S/C18H17NO3/c1-11-6-5-8-15(12(11)2)19-17(20)14-10-13-7-3-4-9-16(13)22-18(14)21/h3-10,13,16H,1-2H3,(H,19,20)/t13-,16+/m1/s1
SMILES: CN([C@H]1[C@H](C2CCC1C2)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H28N2O5S/c1-28(25-21-9-8-20(15-21)24(25)26(29)27-30)34(31,32)23-12-10-22(11-13-23)33-16-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,10-14,20-21,24-25,30H,8-9,15-16H2,1H3,(H,27,29)/t20?,21?,24-,25+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=C(O6)CO)C(=O)N(C5=O)CCC7=CC=C(C=C7)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H35Cl2N3O8/c1-52-25-9-4-22(5-10-25)40-30(37(49)45(39(40)51)43-32-14-6-23(41)18-31(32)42)19-29-27(35(40)33-15-11-26(20-46)53-33)12-13-28-34(29)38(50)44(36(28)48)17-16-21-2-7-24(47)8-3-21/h2-12,14-15,18,28-30,34-35,43,46-47H,13,16-17,19-20H2,1H3/t28-,29+,30-,34-,35+,40+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)CN4N=C(N=N4)C5=CC=CC=C5Cl
InChI: InChI=1S/C22H23ClN6O/c1-14-7-8-19-16(11-14)17-12-27(2)10-9-20(17)29(19)21(30)13-28-25-22(24-26-28)15-5-3-4-6-18(15)23/h3-8,11,17,20H,9-10,12-13H2,1-2H3/t17-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)/C(=N\OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)/N
InChI: InChI=1S/C19H21N3O4/c1-12-6-8-13(9-7-12)17(20)21-26-16(23)10-11-22-18(24)14-4-2-3-5-15(14)19(22)25/h2-3,6-9,14-15H,4-5,10-11H2,1H3,(H2,20,21)/t14-,15-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=CN=N5)C)O
InChI: InChI=1S/C21H29N3O/c1-20-9-7-15(25)13-14(20)3-4-16-17-5-6-19(24-12-11-22-23-24)21(17,2)10-8-18(16)20/h3,6,11-12,15-18,25H,4-5,7-10,13H2,1-2H3/t15-,16-,17-,18-,20-,21-/m0/s1
SMILES: CC1C=C(C(=O)[C@]2(C1C[C@@H]3[C@@]4(C2C5C([C@@]([C@@]4(CC(=O)O3)O)(C)O)OCO5)C)C)OC
InChI: InChI=1S/C22H30O8/c1-10-6-12(27-5)17(24)19(2)11(10)7-13-20(3)16(19)15-18(29-9-28-15)21(4,25)22(20,26)8-14(23)30-13/h6,10-11,13,15-16,18,25-26H,7-9H2,1-5H3/t10?,11?,13-,15?,16?,18?,19+,20-,21-,22+/m1/s1
SMILES: CC1=[O+][C@@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19O9/c1-6(15)18-5-10-11(19-7(2)16)12(20-8(3)17)13-14(23-10)22-9(4)21-13/h10-14H,5H2,1-4H3/q+1/t10-,11-,12+,13-,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCC(=O)NC4CCCCCCC4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C32H47NO3/c1-32-19-18-27-26-17-15-25(36-2)20-22(26)14-16-28(27)31(32)23(21-29(32)34)10-8-9-13-30(35)33-24-11-6-4-3-5-7-12-24/h15,17,20,23-24,27-28,31H,3-14,16,18-19,21H2,1-2H3,(H,33,35)/t23-,27-,28-,31+,32-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C#N)/[C@@H]2[C@H]3[C@@H]([C@H](O2)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(O3)(C)C
InChI: InChI=1S/C36H34N2O7S/c1-25-19-21-29(22-20-25)46(39,40)45-38-30(23-37)32-34-33(43-35(2,3)44-34)31(42-32)24-41-36(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,31-34H,24H2,1-3H3/b38-30+/t31-,32-,33-,34+/m1/s1
SMILES: B1(O[C@@H]2[C@H]3C=C([C@@H]([C@@H]2O1)N3C(=O)OC(C)(C)C)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5
InChI: InChI=1S/C24H26BNO6S/c1-15-10-12-17(13-11-15)33(28,29)19-14-18-21-22(20(19)26(18)23(27)30-24(2,3)4)32-25(31-21)16-8-6-5-7-9-16/h5-14,18,20-22H,1-4H3/t18-,20+,21-,22+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC3=NC(=NN23)CCCO)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H25N5O3/c1-15-20(22(30)25-17-7-4-3-5-8-17)21(16-10-12-18(31-2)13-11-16)28-23(24-15)26-19(27-28)9-6-14-29/h3-5,7-8,10-13,20-21,29H,1,6,9,14H2,2H3,(H,25,30)(H,24,26,27)/t20-,21-/m0/s1
SMILES: B(C1=CC(=CC=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=C6OC)O)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)(O)O
InChI: InChI=1S/C33H22BCl2F5N2O8/c1-51-18-7-3-6-17(44)20(18)21-14-8-9-15-19(29(46)42(28(15)45)13-5-2-4-12(10-13)34(49)50)16(14)11-32(35)30(47)43(31(48)33(21,32)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-8,10,15-16,19,21,44,49-50H,9,11H2,1H3/t15-,16+,19-,21+,32+,33-/m0/s1
SMILES: C[C@@H]1C=C(C(=O)C2([C@H]1CC3C4([C@@H]2C(=O)C(=C(C4CC(O3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)OC)C)C)OC
InChI: InChI=1S/C28H40O11/c1-11-7-15(35-5)25(34)28(4)13(11)8-17-27(3)14(12(2)23(36-6)22(33)24(27)28)9-18(38-17)39-26-21(32)20(31)19(30)16(10-29)37-26/h7,11,13-14,16-21,24,26,29-32H,8-10H2,1-6H3/t11-,13+,14?,16-,17?,18?,19-,20+,21-,24+,26+,27?,28?/m1/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC8=NC9=CC=CC=C9N8
InChI: InChI=1S/C47H43N5O9/c1-58-26-27-60-46(57)51-35-22-12-9-19-32(35)47(45(51)56)38(43(54)48-28-37-49-33-20-10-11-21-34(33)50-37)40-44(55)61-41(30-16-6-3-7-17-30)39(29-14-4-2-5-15-29)52(40)42(47)31-18-8-13-23-36(31)59-25-24-53/h2-23,38-42,53H,24-28H2,1H3,(H,48,54)(H,49,50)/t38-,39-,40-,41+,42+,47-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC(=CC=C3)F)(CO)C(=O)OC
InChI: InChI=1S/C16H17FN2O5/c1-19-13(21)10-11(14(19)22)16(7-20,15(23)24-2)18-12(10)8-4-3-5-9(17)6-8/h3-6,10-12,18,20H,7H2,1-2H3/t10-,11+,12+,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC([C@@H]2O)CCCCCCCCCCCCOC4CCCCO4)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C41H70O4Si/c1-40(2,3)46(5,6)45-33-22-24-34-31(29-33)21-23-36-35(34)25-26-41(4)37(36)30-32(39(41)42)19-15-13-11-9-7-8-10-12-14-17-27-43-38-20-16-18-28-44-38/h22,24,29,32,35-39,42H,7-21,23,25-28,30H2,1-6H3/t32?,35-,36-,37+,38?,39+,41+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C12H13N3O6/c1-3-20-11(16)9-6(2)13-12(17)14-10(9)7-4-5-8(21-7)15(18)19/h4-5,9-10H,2-3H2,1H3,(H2,13,14,17)/t9-,10+/m0/s1
SMILES: C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O6/c1-12(13-5-4-6-14(11-13)21(25)26)27-17(22)9-10-20-18(23)15-7-2-3-8-16(15)19(20)24/h4-6,11-12,15-16H,2-3,7-10H2,1H3/t12-,15-,16-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC=CO2
InChI: InChI=1S/C16H23N3O2S/c1-11-5-3-7-14(12(11)2)17-16(22)19-18-15(20)9-8-13-6-4-10-21-13/h4,6,8-12,14H,3,5,7H2,1-2H3,(H,18,20)(H2,17,19,22)/b9-8+/t11-,12-,14+/m1/s1
SMILES: C[C@]1([C@H](CC[C@H]2[C@@H]1COC(O2)(C)C)OC(C)(C)C)CCO
InChI: InChI=1S/C17H32O4/c1-15(2,3)21-14-8-7-13-12(17(14,6)9-10-18)11-19-16(4,5)20-13/h12-14,18H,7-11H2,1-6H3/t12-,13-,14-,17-/m0/s1
SMILES: CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C21H27N3O3S/c1-2-26-18-9-7-16(8-10-18)20-22-23-21(27-20)28-14-19(25)24-12-11-15-5-3-4-6-17(15)13-24/h7-10,15,17H,2-6,11-14H2,1H3/t15-,17-/m0/s1
SMILES: C1CCC(CC1)NC(=O)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H28N2O4/c21-16(20-18(23)19-15-4-2-1-3-5-15)11-24-17(22)10-14-9-12-6-7-13(14)8-12/h12-15H,1-11H2,(H2,19,20,21,23)/t12-,13+,14+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl
InChI: InChI=1S/C30H22Cl2F3N3O5/c1-12-9-21(40)25-18(26(12)41)11-17-14(23(25)15-4-3-13(39)10-20(15)32)5-6-16-24(17)29(43)38(28(16)42)37(2)27-19(31)7-8-22(36-27)30(33,34)35/h3-5,7-10,16-17,23-24,39H,6,11H2,1-2H3/t16-,17+,23+,24-/m0/s1
SMILES: COC1=C(C=CC(=C1)/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3-/t11-,13-,14+,15-,16-/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)N=[N+]=[N-])O)F
InChI: InChI=1S/C9H10FN5O5/c10-3-1-15(9(19)12-7(3)18)8-6(17)5(13-14-11)4(2-16)20-8/h1,4-6,8,16-17H,2H2,(H,12,18,19)/t4-,5+,6+,8-/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(C6=CC=CC=C56)O)C(=O)N(C4=O)C(=O)OC)Cl
InChI: InChI=1S/C27H22Cl2N2O7/c1-30-23(35)26(28)11-17-15(7-8-16-19(17)22(34)31(21(16)33)25(37)38-2)20(27(26,29)24(30)36)14-9-10-18(32)13-6-4-3-5-12(13)14/h3-7,9-10,16-17,19-20,32H,8,11H2,1-2H3/t16-,17+,19-,20-,26+,27-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)C(=C(C5=O)Cl)Cl)Cl)Cl)C6=CC=CC=C6)O
InChI: InChI=1S/C28H21Cl4N3O6/c1-2-41-19-12-14(8-9-18(19)36)20-16-10-11-33-25(39)34(15-6-4-3-5-7-15)26(40)35(33)17(16)13-27(31)23(37)21(29)22(30)24(38)28(20,27)32/h3-10,12,17,20,36H,2,11,13H2,1H3/t17-,20+,27-,28+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI: InChI=1S/C24H33N8O12P/c1-11-7-31(23(37)26-20(11)34)18-5-14(28-30-25)17(43-18)10-41-45(39,29-13(3)22(36)40-4)44-15-6-19(42-16(15)9-33)32-8-12(2)21(35)27-24(32)38/h7-8,13-19,33H,5-6,9-10H2,1-4H3,(H,29,39)(H,26,34,37)(H,27,35,38)/t13-,14-,15-,16+,17+,18+,19+,45?/m0/s1
SMILES: C1=CC2=C3C(=C1)[C@@H]([C@@H](C3=CC=C2)SC4=NC=NN4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H15ClN4O2S2/c21-13-7-9-14(10-8-13)29(26,27)25-18-15-5-1-3-12-4-2-6-16(17(12)15)19(18)28-20-22-11-23-24-20/h1-11,18-19,25H,(H,22,23,24)/t18-,19+/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1)[C@@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c13-2-4-6(14)7(15)5(11-4)3-1-10-9(17)12-8(3)16/h1,4-7,11,13-15H,2H2,(H2,10,12,16,17)/t4-,5-,6-,7+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NC4=CC=CC=C4S[C@@H]([C@@H]31)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C24H18F3NS/c25-24(26,27)17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)28-20-7-3-4-8-21(20)29-23/h1-10,12-13,19,23H,11,14H2/t19-,23-/m1/s1
SMILES: C[C@@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CNC3=CC=CC(=C3)C
InChI: InChI=1S/C17H20N2O2/c1-11-5-3-7-13(9-11)18-10-19-16(20)14-8-4-6-12(2)15(14)17(19)21/h3-7,9,12,14-15,18H,8,10H2,1-2H3/t12-,14+,15+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N=CC2=CC=CC=C2[N+](=O)[O-])N=CC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O4/c25-23(26)19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24(27)28/h1-2,5-8,11-14,17-18H,3-4,9-10H2/t17-,18-/m1/s1
SMILES: CC1(O[C@@H]2C=C[C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)C
InChI: InChI=1S/C12H18O4/c1-11(2)13-7-5-6-8-10(9(7)15-11)16-12(3,4)14-8/h5-10H,1-4H3/t7-,8-,9-,10-/m1/s1
SMILES: CCCCCCCCC1=CN(N=N1)C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H37N3O8/c1-6-7-8-9-10-11-12-18-13-26(25-24-18)14-19-20(31-15(2)27)21(32-16(3)28)22(33-17(4)29)23(30-5)34-19/h13,19-23H,6-12,14H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](O1)C2=CC3=C(C=C2)OCO3)CO)C(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2/t13-,14+,20+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@@H]([C@H]([C@H]2C4=C3C=C(C=C4)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C20H16O7/c1-27-9-3-5-11-13(7-9)15-10-4-2-8(18(21)22)6-12(10)14(11)16(19(23)24)17(15)20(25)26/h2-7,14-17H,1H3,(H,21,22)(H,23,24)(H,25,26)/t14-,15-,16-,17-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]45CC(=O)C5(Cl)Cl)C)C
InChI: InChI=1S/C24H32Cl2O3/c1-14(27)29-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22)13-20(28)24(23,25)26/h4,16-19H,5-13H2,1-3H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H31ClF2N2O5/c1-33-22(30(41)38(32(33)43)17-10-13-24(35)23(34)14-17)15-21-18(27(33)20-8-5-9-25(36)28(20)39)11-12-19-26(21)31(42)37(29(19)40)16-6-3-2-4-7-16/h5,8-11,13-14,16,19,21-22,26-27,39H,2-4,6-7,12,15H2,1H3/t19-,21+,22-,26-,27+,33+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3Cl)C(=O)O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H15BrClNO2/c20-12-6-4-10(5-7-12)17-14-3-1-2-13(14)15-8-11(19(23)24)9-16(21)18(15)22-17/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/t13-,14-,17+/m0/s1
SMILES: CC(C)(C)C(=O)OP(O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O[Si](C)(C)C
InChI: InChI=1S/C43H59N2O10PSi2/c1-41(2,3)39(47)53-56(55-57(8,9)10)52-36-34(51-38(45-28-27-35(46)44-40(45)48)37(36)54-58(11,12)42(4,5)6)29-50-43(30-19-15-13-16-20-30,31-21-17-14-18-22-31)32-23-25-33(49-7)26-24-32/h13-28,34,36-38H,29H2,1-12H3,(H,44,46,48)/t34-,36-,37-,38-,56?/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@]2(CC(=O)O[C@]1(C2(C)C)C)OC(=O)C
InChI: InChI=1S/C14H20O6/c1-8(15)18-10-6-14(19-9(2)16)7-11(17)20-13(10,5)12(14,3)4/h10H,6-7H2,1-5H3/t10-,13+,14-/m0/s1
SMILES: CC(C)CC[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)NC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C21H32N2O4/c1-13(2)9-10-22-17-11-25-20-18(12-26-19(17)20)27-21(24)23-16-7-5-15(6-8-16)14(3)4/h5-8,13-14,17-20,22H,9-12H2,1-4H3,(H,23,24)/p+1/t17-,18+,19+,20+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)S(=O)(=O)C3=CC=CS3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5CCCCC5)C
InChI: InChI=1S/C37H53NO6S2/c1-27-10-7-19-36(2)33(18-20-37(36,41)26-38(21-9-22-44-3)46(42,43)34-13-8-23-45-34)31-17-15-28(24-30(39)16-14-27)25-32(31)35(40)29-11-5-4-6-12-29/h8,10,13,15,17,23,25,29-30,33,39,41H,4-7,9,11-12,14,16,18-22,24,26H2,1-3H3/t30-,33-,36-,37+/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CN=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C48H65N3O4/c1-4-6-8-10-12-16-31-51(32-17-13-11-9-7-5-2)35-45-37(3)46(40-24-22-38(36-52)23-25-40)55-48(54-45)41-28-26-39(27-29-41)44-21-15-14-19-42(44)34-50-47(53)43-20-18-30-49-33-43/h14-15,18-30,33,37,45-46,48,52H,4-13,16-17,31-32,34-36H2,1-3H3,(H,50,53)/t37-,45+,46+,48+/m0/s1
SMILES: C[C@@]12CC[C@@]34CCC(C(C3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC(C(=O)C6(C)C)N=[N+]=[N-])C)C)OC4)(C)C
InChI: InChI=1S/C30H47N3O2/c1-25(2)12-14-30-15-13-28(6)18(22(30)24(25)35-17-30)8-9-21-27(5)16-19(32-33-31)23(34)26(3,4)20(27)10-11-29(21,28)7/h18-22,24H,8-17H2,1-7H3/t18-,19?,20+,21-,22?,24?,27+,28-,29-,30-/m1/s1
SMILES: CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4OC(=O)C7=CC=CC=C7)OCO6
InChI: InChI=1S/C27H23NO6/c1-28-12-19-17(7-8-20-26(19)33-14-30-20)24-23(34-27(29)15-5-3-2-4-6-15)10-16-9-21-22(32-13-31-21)11-18(16)25(24)28/h2-9,11,23-25H,10,12-14H2,1H3/t23-,24-,25+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C15H14F3NO2/c16-15(17,18)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(19)21/h3-5,8,11-12H,1-2,6-7H2/t11-,12-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)[O-]
InChI: InChI=1S/C16H19NO4/c1-10-3-8-13(16(19)20)14(9-10)15(18)17-11-4-6-12(21-2)7-5-11/h3-7,13-14H,8-9H2,1-2H3,(H,17,18)(H,19,20)/p-1/t13-,14+/m0/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C36H54O3/c1-7-38-28-14-11-26(12-15-28)34(37)39-29-19-21-35(5)27(23-29)13-16-30-32-18-17-31(25(4)10-8-9-24(2)3)36(32,6)22-20-33(30)35/h11-15,24-25,29-33H,7-10,16-23H2,1-6H3/t25-,29+,30?,31-,32?,33?,35+,36-/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H15ClN4O4/c1-10-15(17(24)21-13-6-3-5-12(19)9-13)16(22-18(25)20-10)11-4-2-7-14(8-11)23(26)27/h2-9,15-16H,1H2,(H,21,24)(H2,20,22,25)/t15-,16+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H](C1=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)NC(=O)C5=CC=CN25
InChI: InChI=1S/C24H23N3O2/c28-21-14-20-22(25-24(29)19-12-7-13-27(19)20)23(21)26(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13,20,22-23H,14-16H2,(H,25,29)/t20-,22-,23-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H22ClN5OS/c19-14-7-9-15(10-8-14)24-18(20-21-22-24)26-12-17(25)23-11-3-5-13-4-1-2-6-16(13)23/h7-10,13,16H,1-6,11-12H2/t13-,16+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@]2(CC[C@@H](C2(C)C)C)C)C(C)C
InChI: InChI=1S/C20H36O2/c1-13(2)16-9-8-14(3)12-17(16)22-18(21)20(7)11-10-15(4)19(20,5)6/h13-17H,8-12H2,1-7H3/t14-,15-,16-,17+,20-/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C18H23NO5S/c1-4-24-18(23)12-8(2)9(3)25-16(12)19-15(20)13-10-5-6-11(7-10)14(13)17(21)22/h10-11,13-14H,4-7H2,1-3H3,(H,19,20)(H,21,22)/t10-,11+,13-,14+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NC)/C(=N/O)/N)CO)O)O
InChI: InChI=1S/C14H20N6O5/c1-14(23)9(22)7(4-21)25-13(14)20-3-6(10(15)19-24)8-11(16-2)17-5-18-12(8)20/h3,5,7,9,13,21-24H,4H2,1-2H3,(H2,15,19)(H,16,17,18)/t7-,9-,13-,14-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)O)O)O)N
InChI: InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(41-19)1-40-45(37,38)43-14-8(2-39-44(34,35)36)42-20(13(14)33)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=C(C=CC(=C3)C)C
InChI: InChI=1S/C20H26N2O4/c1-13-7-8-14(2)16(10-13)12-26-17(23)11-22-18(24)20(21-19(22)25)9-5-4-6-15(20)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,21,25)/t15-,20-/m0/s1
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)C)OC(=O)C5=CC=C(C=C5)F)C
InChI: InChI=1S/C29H37FO5/c1-17-14-29-15-20(17)7-10-22(29)27(3)12-11-25(35-26(33)19-5-8-21(30)9-6-19)28(4,16-34-18(2)31)23(27)13-24(29)32/h5-6,8-9,20,22-25,32H,1,7,10-16H2,2-4H3/t20-,22+,23+,24+,25-,27+,28-,29+/m1/s1
SMILES: C[C@@H]1[C@@H](N[C@@H]([C@H](C1=NO)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H20Cl2N2O/c1-11-17(23-24)12(2)19(14-5-9-16(21)10-6-14)22-18(11)13-3-7-15(20)8-4-13/h3-12,18-19,22,24H,1-2H3/t11-,12-,18-,19+/m0/s1
SMILES: C[C@@]1([C@H]([C@@H]([C@H](N1)C2=CC=CC=C2)C(=O)OC)C(=O)OC)C(=O)O
InChI: InChI=1S/C16H19NO6/c1-16(15(20)21)11(14(19)23-3)10(13(18)22-2)12(17-16)9-7-5-4-6-8-9/h4-8,10-12,17H,1-3H3,(H,20,21)/t10-,11+,12+,16+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OC6=C(C=C(C=C6Cl)Cl)Cl
InChI: InChI=1S/C37H34Cl3N2O10P/c1-22-20-42(36(44)41-35(22)43)33-19-31(51-53(45,46)52-34-29(39)17-26(38)18-30(34)40)32(50-33)21-49-37(23-7-5-4-6-8-23,24-9-13-27(47-2)14-10-24)25-11-15-28(48-3)16-12-25/h4-18,20,31-33H,19,21H2,1-3H3,(H,45,46)(H,41,43,44)/t31-,32+,33+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3(C=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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C45H53NO14/c1-24-29(57-39(52)33(49)32(27-16-12-10-13-17-27)46-40(53)60-41(4,5)6)22-45(54)37(58-38(51)28-18-14-11-15-19-28)35-43(9,21-20-30-44(35,23-55-30)59-26(3)48)36(50)34(56-25(2)47)31(24)42(45,7)8/h10-21,29-30,32-35,37,49,54H,22-23H2,1-9H3,(H,46,53)/t29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C30H22ClNO7/c1-13-9-23(34)26-21(27(13)35)12-19-17(24(26)20-11-15(31)5-8-22(20)33)6-7-18-25(19)29(37)32(28(18)36)16-4-2-3-14(10-16)30(38)39/h2-6,8-11,18-19,24-25,33H,7,12H2,1H3,(H,38,39)/t18-,19+,24+,25-/m0/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])O
InChI: InChI=1S/C15H17NO5/c1-21-13-7-6-9(8-12(13)17)16-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11,17H,4-5H2,1H3,(H,16,18)(H,19,20)/p-1/t10-,11-/m1/s1
SMILES: C1[C@H]([C@H]2[C@H]([C@@H]([C@H]([C@@H]2O)O1)O)N3C=NC4=C(N=CN=C43)N)O
InChI: InChI=1S/C12H15N5O4/c13-11-6-12(15-2-14-11)17(3-16-6)7-5-4(18)1-21-10(8(5)19)9(7)20/h2-5,7-10,18-20H,1H2,(H2,13,14,15)/t4-,5+,7-,8-,9+,10+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H56O5Si3/c1-18-19(28-31(12,13)23(2,3)4)20(29-32(14,15)24(5,6)7)21(22(26-11)27-18)30-33(16,17)25(8,9)10/h18-22H,1-17H3/t18-,19-,20+,21-,22+/m1/s1
SMILES: CCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI: InChI=1S/C27H19Br2NO4/c1-2-34-25(33)15-8-7-9-16(14-15)30-23(31)21-22(24(30)32)27(29)18-11-4-3-10-17(18)26(21,28)19-12-5-6-13-20(19)27/h3-14,21-22H,2H2,1H3/t21-,22+,26?,27?
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)OCC=C)C2=COC3=CC=CC=C3C2=O)CCCO
InChI: InChI=1S/C23H26O7/c1-3-12-28-22(26)20-13-17(15(9-7-11-24)23(30-20)27-4-2)18-14-29-19-10-6-5-8-16(19)21(18)25/h3,5-6,8,10,13-15,17,23-24H,1,4,7,9,11-12H2,2H3/t15-,17-,23+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O5/c21-13(18-11-2-1-3-12(7-11)20(24)25)8-19-16(22)14-9-4-5-10(6-9)15(14)17(19)23/h1-3,7,9-10,14-15H,4-6,8H2,(H,18,21)/t9-,10+,14-,15-/m0/s1
SMILES: CC1=C(C=CC(=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H24N2O4/c1-14-13-16(23-21(26)17-9-5-6-10-18(17)22(27)28)11-12-19(14)24-20(25)15-7-3-2-4-8-15/h2-4,7-8,11-13,17-18H,5-6,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-,18+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C40H30BrNO5/c41-26-14-16-27(17-15-26)42-38(46)30-19-18-29-32(35(30)39(42)47)21-33-37(45)31(23-8-3-1-4-9-23)22-34(44)40(33,25-11-5-2-6-12-25)36(29)24-10-7-13-28(43)20-24/h1-18,20,22,30,32-33,35-36,43H,19,21H2/t30-,32+,33-,35-,36-,40-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)SC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)O
InChI: InChI=1S/C20H27N4O11PS/c1-9-5-23(19(29)21-17(9)27)15-3-11(25)13(34-15)7-33-36(31,32)37-8-14-12(26)4-16(35-14)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1
SMILES: C1=CN(C(=O)C2=C1C=CS2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H13NO5S/c14-5-7-8(15)9(16)12(18-7)13-3-1-6-2-4-19-10(6)11(13)17/h1-4,7-9,12,14-16H,5H2/t7-,8-,9-,12?/m1/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H]([C@@H]([NH+]2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H18F2N2O3/c23-13-5-3-12(4-6-13)20(27)19-18-17(16-2-1-11-25(16)19)21(28)26(22(18)29)15-9-7-14(24)8-10-15/h3-10,16-19H,1-2,11H2/p+1/t16-,17-,18+,19-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@H](C=CO1)C(=C)CO2
InChI: InChI=1S/C15H26O3Si/c1-11-9-17-14-12(11)7-8-16-13(14)10-18-19(5,6)15(2,3)4/h7-8,12-14H,1,9-10H2,2-6H3/t12-,13-,14+/m1/s1
SMILES: CC(C)C(=O)C(=O)C[C@@]1(CC[C@@]2([C@@H](C1=O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)COC(=O)C
InChI: InChI=1S/C34H52O7/c1-20(2)28(38)24(37)18-34(19-40-21(3)35)17-16-32(8)23(29(34)39)10-11-26-31(7)14-13-27(41-22(4)36)30(5,6)25(31)12-15-33(26,32)9/h20,23,25-27H,10-19H2,1-9H3/t23-,25+,26-,27+,31+,32-,33-,34+/m1/s1
SMILES: C[C@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC(=CC=C6)O
InChI: InChI=1S/C25H19NO3/c1-25-21-18-11-4-2-9-16(18)20(17-10-3-5-12-19(17)21)22(25)23(28)26(24(25)29)14-7-6-8-15(27)13-14/h2-13,20-22,27H,1H3/t20?,21?,22-,25+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C20H25F2NO4/c1-13-4-3-5-17(14(13)2)23-18(24)12-26-19(25)11-8-15-6-9-16(10-7-15)27-20(21)22/h6-11,13-14,17,20H,3-5,12H2,1-2H3,(H,23,24)/b11-8+/t13-,14+,17+/m0/s1