EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C=C\1/[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H32O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4-5,14-15,17-19,22-23H,6-12H2,1-3H3/b16-4-/t14-,15+,17-,18-,19+,20-,21+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)OC3[C@H]4[C@@H](C5[C@@H]([C@@H]3OC(O4)O5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C31H32O11S/c1-30(2)19-13-14-31(30,20(32)15-19)16-43(35,36)42-26-24-21(37-27(33)17-9-5-3-6-10-17)23-22(25(26)41-29(39-23)40-24)38-28(34)18-11-7-4-8-12-18/h3-12,19,21-26,29H,13-16H2,1-2H3/t19-,21-,22+,23?,24-,25+,26?,29?,31-/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)CC5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)O.[Br-]
InChI: InChI=1S/C29H29F6N2O2.BrH/c1-3-17-15-37(16-19-4-5-20(28(30,31)32)13-24(19)29(33,34)35)11-9-18(17)12-26(37)27(38)22-8-10-36-25-7-6-21(39-2)14-23(22)25;/h3-8,10,13-14,17-18,26-27,38H,1,9,11-12,15-16H2,2H3;1H/q+1;/p-1/t17-,18-,26+,27-,37-;/m0./s1
SMILES: CCCCCCCC[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O
InChI: InChI=1S/C35H65NO19Si/c1-5-6-7-8-9-10-12-56(3,4)13-11-50-32-27(46)26(45)29(22(17-39)52-32)53-33-28(47)31(25(44)21(16-38)51-33)55-35(34(48)49)14-19(41)23(36-18(2)40)30(54-35)24(43)20(42)15-37/h19-33,37-39,41-47H,5-17H2,1-4H3,(H,36,40)(H,48,49)/t19-,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@@H]3[C@H](C2)OC(=O)C3=C)O)C
InChI: InChI=1S/C15H20O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h6,8,11-13,16H,2,4-5,7H2,1,3H3/t8-,11+,12+,13+,15-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)SC6=CC=CC=C63)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C31H21NO3S/c33-27(20-13-5-2-6-14-20)26-25(19-11-3-1-4-12-19)31(28(34)21-15-7-8-16-22(21)29(31)35)30-32(26)23-17-9-10-18-24(23)36-30/h1-18,25-26,30H/t25-,26+,30+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br
InChI: InChI=1S/C19H27BrN2O2/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)19(23)14-24-17-8-6-16(20)7-9-17/h6-9,15,18H,2-5,10-14H2,1H3/p+1/t15-,18-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)C2=CC=CC(=C2)C)C(C)C
InChI: InChI=1S/C20H28O4/c1-13(2)17-9-8-15(4)11-18(17)24-19(21)12-23-20(22)16-7-5-6-14(3)10-16/h5-7,10,13,15,17-18H,8-9,11-12H2,1-4H3/t15-,17-,18-/m0/s1
SMILES: C1=NC2=C(N1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=NC(=C2Cl)F)N
InChI: InChI=1S/C11H12ClFN4O4/c12-4-5-6(10(14)16-9(4)13)17(2-15-5)11-8(20)7(19)3(1-18)21-11/h2-3,7-8,11,18-20H,1H2,(H2,14,16)/t3-,7-,8-,11+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CC[C@]4(CSC5=NC=CN5C)O)C
InChI: InChI=1S/C24H36N2O2S/c1-22-9-6-17(27)14-16(22)4-5-18-19(22)7-10-23(2)20(18)8-11-24(23,28)15-29-21-25-12-13-26(21)3/h12-13,16,18-20,28H,4-11,14-15H2,1-3H3/t16-,18-,19-,20+,22+,23+,24-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC=C5OC)O)C(=O)N(C4=O)C(C)(C)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C32H34N2O6/c1-31(2,3)34-27(36)19-15-14-18-20(24(19)29(34)38)16-21-28(37)33(17-10-7-6-8-11-17)30(39)32(21,4)26(18)25-22(35)12-9-13-23(25)40-5/h6-14,19-21,24,26,35H,15-16H2,1-5H3/t19-,20+,21-,24-,26+,32+/m0/s1
SMILES: C=C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C7H13O8P/c1-2-3-4(8)5(9)6(10)7(14-3)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t3-,4-,5+,6-,7-/m1/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)C)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O4/c1-5-19(18(24)25-4)14-13(16(22)21(6-2)17(14)23)15(20-19)12-9-7-11(3)8-10-12/h7-10,13-15,20H,5-6H2,1-4H3/p+1/t13-,14+,15-,19+/m0/s1
SMILES: C[C@]12CCC3C(C1C[C@@H]([C@@H]2O)CCCNC(=O)[C@H](CC4=CC=CC=C4)N)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C30H40N2O3/c1-30-14-13-24-23-12-10-22(33)17-20(23)9-11-25(24)26(30)18-21(28(30)34)8-5-15-32-29(35)27(31)16-19-6-3-2-4-7-19/h2-4,6-7,10,12,17,21,24-28,33-34H,5,8-9,11,13-16,18,31H2,1H3,(H,32,35)/t21-,24?,25?,26?,27-,28-,30-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)Br)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H42BrN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24+/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)/C=N/OC
InChI: InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9+/t11-,12+,13+,16+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)O)[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O3/c25-20-11-9-14(12-19(20)24(26)27)22-17-7-3-6-16(17)21-15-5-2-1-4-13(15)8-10-18(21)23-22/h1-6,8-12,16-17,22-23,25H,7H2/t16-,17-,22+/m0/s1
SMILES: C[C@H](COC1CCCCO1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4([C@@H](C[C@@H](C6)O)O)C)N7N5C(=O)N(C7=O)C8=CC=CC=C8)C
InChI: InChI=1S/C35H47N3O6/c1-22(21-44-29-11-7-8-18-43-29)25-12-13-26-32(25,2)15-14-27-33(3)28(40)19-24(39)20-34(33)16-17-35(26,27)38-31(42)36(30(41)37(34)38)23-9-5-4-6-10-23/h4-6,9-10,16-17,22,24-29,39-40H,7-8,11-15,18-21H2,1-3H3/t22-,24+,25-,26-,27-,28-,29?,32-,33+,34-,35+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5C[C@H]([C@@H](OC5)C(C)(C)O)O)C)([C@H](C[C@H](C2(C)C)OC(=O)C6=CC=CC=C6)OC(=O)C)C
InChI: InChI=1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(45)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(47-22-26)38(5,6)46/h10-14,16,26-28,30-35,44,46H,15,17-22H2,1-9H3/t26?,27-,28+,30-,31-,32+,33+,34-,35+,39-,40-,41+/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@@H]3C[C@@H]4CO[C@H](O[C@H]4[C@@H](C3=O)OCC5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=CC=C7)NC(=O)C
InChI: InChI=1S/C51H63NO10/c1-3-4-5-6-7-20-29-56-51-44(52-36(2)53)48(57-32-38-23-14-9-15-24-38)47(43(61-51)35-55-31-37-21-12-8-13-22-37)60-42-30-41-34-59-50(40-27-18-11-19-28-40)62-46(41)49(45(42)54)58-33-39-25-16-10-17-26-39/h8-19,21-28,41-44,46-51H,3-7,20,29-35H2,1-2H3,(H,52,53)/t41-,42-,43-,44-,46-,47-,48-,49-,50-,51-/m1/s1
SMILES: C1=CC=C(C=C1)C2=NN(C(=S)C(=N2)CC3=CC=C(C=C3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C21H20ClN3O4S/c22-14-8-6-12(7-9-14)10-15-21(30)25(20-18(28)17(27)16(11-26)29-20)24-19(23-15)13-4-2-1-3-5-13/h1-9,16-18,20,26-28H,10-11H2/t16-,17-,18-,20-/m1/s1
SMILES: COC1=CC=CC2=C1[C@@H]3CCN(C[C@@H]3C2)CCCN4C(=O)CC5(CCCC5)CC4=O
InChI: InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]([C@H](C(=N[C@@]1(C)O)SCC(=O)N)C#N)C2=CC=NC=C2
InChI: InChI=1S/C17H20N4O4S/c1-3-25-16(23)14-13(10-4-6-20-7-5-10)11(8-18)15(21-17(14,2)24)26-9-12(19)22/h4-7,11,13-14,24H,3,9H2,1-2H3,(H2,19,22)/t11-,13-,14+,17+/m1/s1
SMILES: CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H22N2O3S/c1-12-6-16(25-11-20)4-5-17(12)21-18(22)10-24-19(23)9-15-8-13-2-3-14(15)7-13/h4-6,13-15H,2-3,7-10H2,1H3,(H,21,22)/t13-,14+,15-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@@H]([C@H](O5)C)OC)CC=C(Cl)Cl
InChI: InChI=1S/C30H43Cl2NO6/c1-17(2)23-10-20-11-28(15-34)22-7-6-18(3)21(22)12-29(20,30(23,28)27(35)36)16-38-26-14-33(9-8-25(31)32)13-24(37-5)19(4)39-26/h8,10,15,17-22,24,26H,6-7,9,11-14,16H2,1-5H3,(H,35,36)/t18-,19-,20?,21-,22-,24+,26-,28?,29?,30?/m1/s1
SMILES: C1C[C@H]([C@@H](C[C@@H]1COP(=O)(O)O)COP(=O)(O)O)COP(=O)(O)O
InChI: InChI=1S/C9H21O12P3/c10-22(11,12)19-4-7-1-2-8(5-20-23(13,14)15)9(3-7)6-21-24(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t7-,8+,9+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO[C@@H]4[C@H]([C@H]([C@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)N)C
InChI: InChI=1S/C39H43NO13/c1-38(2)50-29-26(47-37-32(31(29)51-38)52-39(3,4)53-37)21-45-36-27(40)30(49-35(43)24-18-12-7-13-19-24)28(48-34(42)23-16-10-6-11-17-23)25(46-36)20-44-33(41)22-14-8-5-9-15-22/h5-19,25-32,36-37H,20-21,40H2,1-4H3/t25-,26-,27+,28+,29+,30-,31+,32-,36+,37-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]2C7=C(C=C(C=C7)O)OC)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C38H31Cl2N5O7/c1-51-25-12-8-21(9-13-25)38-28(34(47)44(35(38)48)41-30-15-10-22(39)18-29(30)40)20-31-26(33(38)27-14-11-24(46)19-32(27)52-2)16-17-42-36(49)43(37(50)45(31)42)23-6-4-3-5-7-23/h3-16,18-19,28,31,33,41,46H,17,20H2,1-2H3/t28-,31+,33+,38+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC(=C(C=C4[O-])[O-])[N+](=O)[O-]
InChI: InChI=1S/C17H15N3O6/c21-12-6-13(22)11(20(25)26)5-10(12)7-18-19-16(23)14-8-1-2-9(4-3-8)15(14)17(19)24/h1-2,5-9,14-15,21-22H,3-4H2/p-2/b18-7-/t8-,9+,14+,15-
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2
InChI: InChI=1S/C17H22ClN3O2/c1-10-6-7-11(18)8-14(10)20-16(22)9-15-17(23)21-13-5-3-2-4-12(13)19-15/h6-8,12-13,15,19H,2-5,9H2,1H3,(H,20,22)(H,21,23)/t12-,13-,15-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O
InChI: InChI=1S/C62H64O13/c1-65-60(64)50-32-34-51(35-33-50)72-62-59(58(71-41-49-30-18-7-19-31-49)56(69-39-47-26-14-5-15-27-47)53(74-62)43-67-37-45-22-10-3-11-23-45)75-61-54(63)57(70-40-48-28-16-6-17-29-48)55(68-38-46-24-12-4-13-25-46)52(73-61)42-66-36-44-20-8-2-9-21-44/h2-35,52-59,61-63H,36-43H2,1H3/t52-,53-,54+,55-,56-,57-,58+,59+,61-,62+/m1/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C16H9Cl6NO3/c1-26-7-4-2-3-6(5-7)23-12(24)8-9(13(23)25)15(20)11(18)10(17)14(8,19)16(15,21)22/h2-5,8-9H,1H3/t8-,9+,14-,15-/m1/s1
SMILES: CO[C@]12CC3(C(=O)C=CC4=CC=CC=C43)SC[C@]1(OC5=C(S2)C6=CC=CC=C6C=C5)OC
InChI: InChI=1S/C26H22O4S2/c1-28-25-16-31-24(20-10-6-4-8-18(20)12-14-22(24)27)15-26(25,29-2)32-23-19-9-5-3-7-17(19)11-13-21(23)30-25/h3-14H,15-16H2,1-2H3/t24?,25-,26+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3
InChI: InChI=1S/C19H18N4O2/c1-22(2)14-8-6-13(7-9-14)16-15(12-20)18(24)21-19(25)17(16)23-10-4-3-5-11-23/h3-11,16-17H,1-2H3,(H-,21,24,25)/p+1/t16-,17-/m0/s1
SMILES: CC1=CC(=CC=C1)CO[C@]2(C[C@H]([C@H]([C@H](C2)OCC=C)O)O)C(=O)NC[C@@H]3CCCO3
InChI: InChI=1S/C23H33NO6/c1-3-9-29-20-13-23(12-19(25)21(20)26,22(27)24-14-18-8-5-10-28-18)30-15-17-7-4-6-16(2)11-17/h3-4,6-7,11,18-21,25-26H,1,5,8-10,12-15H2,2H3,(H,24,27)/t18-,19+,20-,21+,23-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C=C[C@@H]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)OC(=O)C)O)C)O
InChI: InChI=1S/C42H51NO13/c1-22-27(54-37(50)33(47)31(24-15-11-9-12-16-24)43-38(51)56-39(3,4)5)21-42(52)35(55-36(49)25-17-13-10-14-18-25)30-26(53-23(2)44)19-20-28(45)41(30,8)34(48)32(46)29(22)40(42,6)7/h9-20,26-28,30-33,35,45-47,52H,21H2,1-8H3,(H,43,51)/t26-,27-,28-,30-,31-,32+,33+,35-,41+,42+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC[C@@]2(CC(=O)[C@H](C[C@H]2[C@@]1(C)O)C(C)C)C
InChI: InChI=1S/C20H32O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,12,14,16-17,23H,8-11H2,1-6H3/b13-7-/t14-,16-,17-,19-,20-/m1/s1
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@@H](CC4)OC(C)C)C
InChI: InChI=1S/C27H40O4/c1-16(2)30-20-8-11-25(6)22-9-12-26(7)23(21(22)14-17(3)24(25)15-20)10-13-27(26,18(4)28)31-19(5)29/h14-16,20-23H,8-13H2,1-7H3/t20-,21-,22+,23+,25-,26+,27+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H32N2O3/c1-24-19-12-16(13-20(25-2)21(19)26-3)14-22-6-8-23(9-7-22)18-11-15-4-5-17(18)10-15/h12-13,15,17-18H,4-11,14H2,1-3H3/p+2/t15-,17+,18+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: COC1=CC2=C(C=C1)N[C@H]3[C@@H]2C[C@H](N3C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H18N2O5/c1-20-8-4-5-11-9(6-8)10-7-12(14(18)21-2)17(13(10)16-11)15(19)22-3/h4-6,10,12-13,16H,7H2,1-3H3/t10-,12+,13-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C17H21NO6/c1-10(19)23-15-14(13-9-22-17(2,3)24-13)18(16(15)20)11-5-7-12(21-4)8-6-11/h5-8,13-15H,9H2,1-4H3/t13-,14+,15-/m1/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C32H43BN4O6/c1-19(2)15-27(33-42-26-17-22-16-25(31(22,4)5)32(26,6)43-33)36-29(39)23(35-30(40)24-9-7-8-14-37(24)41)18-34-28(38)21-12-10-20(3)11-13-21/h7-14,19,22-23,25-27H,15-18H2,1-6H3,(H,34,38)(H,35,40)(H,36,39)/t22-,23+,25+,26-,27+,32+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCN(CC6)C7=CC=CC=C7O)O)C(=C5)C(=O)C8=CC=CO8)O)C
InChI: InChI=1S/C37H46N2O5/c1-33-12-9-25(40)22-35(33)15-16-37(26(23-35)32(42)29-8-5-21-44-29)30(33)10-13-34(2)31(37)11-14-36(34,43)24-38-17-19-39(20-18-38)27-6-3-4-7-28(27)41/h3-8,15-16,21,23,25,30-31,40-41,43H,9-14,17-20,22,24H2,1-2H3/t25?,30-,31-,33-,34+,35+,36-,37-/m1/s1
SMILES: COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C28H32O15/c1-38-15-6-13(41-28-26(37)24(35)22(33)18(9-30)43-28)7-16-19(15)20(31)14(10-39-16)11-2-4-12(5-3-11)40-27-25(36)23(34)21(32)17(8-29)42-27/h2-7,10,17-18,21-30,32-37H,8-9H2,1H3/t17-,18-,21-,22-,23+,24+,25-,26-,27?,28?/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C=C7)O)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C47H40Cl2N6O6/c1-53(2)31-13-9-29(10-14-31)50-51-30-11-15-32(16-12-30)54-43(57)36-22-21-35-37(41(36)45(54)59)25-38-44(58)55(52-40-23-8-28(48)24-39(40)49)46(60)47(38,27-6-19-34(61-3)20-7-27)42(35)26-4-17-33(56)18-5-26/h4-21,23-24,36-38,41-42,52,56H,22,25H2,1-3H3/t36-,37+,38-,41-,42-,47+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](C2=C(C=C(C=C2OC(=O)C)OC(=O)C)O[C@@H]1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)C4=C(C=C(C=C4OC)OC)OC
InChI: InChI=1S/C34H34O14/c1-16(35)43-23-14-28(46-19(4)38)31-29(15-23)48-33(21-9-10-24(44-17(2)36)25(11-21)45-18(3)37)34(47-20(5)39)32(31)30-26(41-7)12-22(40-6)13-27(30)42-8/h9-15,32-34H,1-8H3/t32-,33+,34+/m0/s1
SMILES: CC1=C2[C@@]3(C[C@@H]1OC(=O)C)[C@H](C4[C@]([C@@]2(C(=O)OC3(C)C)O)([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H36O11/c1-15-19(39-16(2)32)13-29-22(15)31(37,26(36)42-27(29,4)5)28(6)20(34)12-21-30(14-38-21,41-17(3)33)23(28)24(29)40-25(35)18-10-8-7-9-11-18/h7-11,19-21,23-24,34,37H,12-14H2,1-6H3/t19-,20-,21+,23?,24-,28+,29-,30-,31+/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)OC(=O)C)C
InChI: InChI=1S/C27H40O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(29)14-18(26)15-23(25)32-17(2)28/h14,16,20-23,25H,6-13,15H2,1-5H3/t16-,20-,21+,22+,23-,25+,26+,27-/m1/s1
SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H]1C[C@@H](C/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C4CC4)O)C)/C1=C)O
InChI: InChI=1S/C45H68O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-44(48)49-43-33-39(46)32-38(35(43)3)27-24-36-21-20-31-45(4)40(28-29-41(36)45)34(2)23-30-42(47)37-25-26-37/h9-10,12-13,15-16,23-24,27,30,34,37,39-43,46-47H,3,5-8,11,14,17-22,25-26,28-29,31-33H2,1-2,4H3/b10-9-,13-12-,16-15-,30-23+,36-24+,38-27+/t34-,39-,40-,41+,42-,43+,45-/m1/s1
SMILES: C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CCC5=CC(=O)C=C[C@]35C
InChI: InChI=1S/C23H28O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h5,8,11-12,17-19,26H,3-4,6-7,9-10,13H2,1-2H3/t17?,18?,19?,21-,22+,23-/m0/s1
SMILES: CC1(OC2=C(O1)C=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)C
InChI: InChI=1S/C16H20N2O3/c1-16(2)20-13-6-3-9(7-14(13)21-16)15(19)18-12-8-10-4-5-11(12)17-10/h3,6-7,10-12,17H,4-5,8H2,1-2H3,(H,18,19)/t10-,11+,12-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)NC2=CC(=CC=C2)F)C3=CC(=CC=C3)OC
InChI: InChI=1S/C22H22FNO4/c1-3-28-22(26)21-19(14-6-4-9-18(10-14)27-2)12-17(13-20(21)25)24-16-8-5-7-15(23)11-16/h4-11,13,19,21,24H,3,12H2,1-2H3/t19-,21+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)N2CNC(=NC2)NC3=NC4=CC=CC=C4O3
InChI: InChI=1S/C18H25N5O/c1-12-6-5-8-15(13(12)2)23-10-19-17(20-11-23)22-18-21-14-7-3-4-9-16(14)24-18/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H2,19,20,21,22)/t12-,13-,15-/m0/s1
SMILES: C1[C@H]2[C@H]3[C@@H]([C@H]1[C@H]([C@H]2OC3=O)O)C(=O)O
InChI: InChI=1S/C9H10O5/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7,10H,1H2,(H,11,12)/t2-,3-,4+,5-,6+,7-/m0/s1
SMILES: C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2CC(O[C@@H]([C@H]2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O)O)O)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O
InChI: InChI=1S/C37H46O15/c1-15-22(51-27-11-21(38)30(40)16(2)50-27)7-8-26(49-15)52-24-12-23(48-17(3)31(24)41)18-5-6-19-28(32(18)42)33(43)20-9-10-36(46)14-35(4,45)13-25(39)37(36,47)29(20)34(19)44/h5-6,9-10,15-17,21-24,26-27,30-31,38,40-42,45-47H,7-8,11-14H2,1-4H3/t15-,16+,17+,21+,22-,23?,24+,26-,27-,30+,31+,35-,36-,37-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)[C@H](CCC(C)(C)O)O
InChI: InChI=1S/C27H44O3/c1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-27(5)23(12-13-24(20)27)19(2)25(29)14-16-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25-,27+/m0/s1
SMILES: CC[NH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OCCCCCCCCC=C)OC(=O)C)OC(=O)C)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/C36H55O21P.C6H15N/c1-9-10-11-12-13-14-15-16-17-48-58(44,45)57-36-34(53-26(8)43)32(51-24(6)41)30(28(55-36)19-47-21(3)38)56-35-33(52-25(7)42)31(50-23(5)40)29(49-22(4)39)27(54-35)18-46-20(2)37;1-4-7(5-2)6-3/h9,27-36H,1,10-19H2,2-8H3,(H,44,45);4-6H2,1-3H3/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36-;/m1./s1
SMILES: COC(=O)[C@@H]1[C@H](OC(=S)N1)C2=CC(=C(C=C2)OCC=C)Cl
InChI: InChI=1S/C14H14ClNO4S/c1-3-6-19-10-5-4-8(7-9(10)15)12-11(13(17)18-2)16-14(21)20-12/h3-5,7,11-12H,1,6H2,2H3,(H,16,21)/t11-,12+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC=CC=C3F)C(=O)CC4CC5CCC4C5)C(=O)NCCO
InChI: InChI=1S/C33H40FIN2O7/c1-43-29-13-20(18-39)12-26(35)32(29)44-28-15-24(33(42)36-8-9-38)14-27(31(28)41)37(17-22-4-2-3-5-25(22)34)30(40)16-23-11-19-6-7-21(23)10-19/h2-5,12-13,15,19,21,23,27-28,31,38-39,41H,6-11,14,16-18H2,1H3,(H,36,42)/t19?,21?,23?,27-,28+,31+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@H]3C[NH+](CC=C3C(C(=N)C2C#N)(C#N)C#N)C
InChI: InChI=1S/C22H23N5/c1-14(2)15-4-6-16(7-5-15)20-17(10-23)21(26)22(12-24,13-25)19-8-9-27(3)11-18(19)20/h4-8,14,17-18,20,26H,9,11H2,1-3H3/p+1/t17?,18-,20+/m0/s1
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2C[C@H]([C@@H]4[C@@]3(CCCC4)C)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C.N
InChI: InChI=1S/C45H60Cl2O6.H3N/c1-25(2)10-8-11-26(3)34-15-16-36-31-20-27(35-14-6-7-18-44(35,4)37(31)17-19-45(34,36)5)12-9-13-30(28-21-32(42(50)51)40(48)38(46)23-28)29-22-33(43(52)53)41(49)39(47)24-29;/h13,21-27,31,34-37,48-49H,6-12,14-20H2,1-5H3,(H,50,51)(H,52,53);1H3/t26?,27-,31?,34-,35-,36?,37?,44+,45-;/m1./s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C4=C(C(=CC=C4)C(=O)O)N[C@H]3C5=CC(=CC=C5)C(F)(F)F
InChI: InChI=1S/C22H20F3NO2/c23-22(24,25)14-4-1-3-13(10-14)19-18-12-8-7-11(9-12)17(18)15-5-2-6-16(21(27)28)20(15)26-19/h1-6,10-12,17-19,26H,7-9H2,(H,27,28)/t11-,12+,17+,18-,19-/m0/s1
SMILES: C[C@H]1CC(=C[C@H]([C@@H]1C[N+](C)(C)CC2=CC=C(C=C2)C(=O)OC)C)C
InChI: InChI=1S/C21H32NO2/c1-15-11-16(2)20(17(3)12-15)14-22(4,5)13-18-7-9-19(10-8-18)21(23)24-6/h7-11,16-17,20H,12-14H2,1-6H3/q+1/t16-,17+,20+/m1/s1
SMILES: CCOC(=O)/C=C/[C@@H]([C@@H]([C@H]1[C@H]([C@@H]2[C@H](O1)COC(O2)(C)C)O[Si](CC)(CC)CC)OCOC)OCOC
InChI: InChI=1S/C25H46O10Si/c1-9-29-20(26)14-13-18(30-16-27-7)21(31-17-28-8)23-24(35-36(10-2,11-3)12-4)22-19(33-23)15-32-25(5,6)34-22/h13-14,18-19,21-24H,9-12,15-17H2,1-8H3/b14-13+/t18-,19+,21-,22-,23-,24-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H18N2O4/c1-23-12-6-4-5-11(9-12)18-15(20)10-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-6,9,13-14H,7-8,10H2,1H3,(H,18,20)/t13-,14+
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H](CC2=O)CC/C=C/CC[C@H]3CC(=O)[C@@H]4CC[C@@H]([C@]4(C3)C)[C@H](C)CCCC(C)C)C
InChI: InChI=1S/C42H72O2/c1-29(2)15-13-17-31(5)35-21-23-37-39(43)25-33(27-41(35,37)7)19-11-9-10-12-20-34-26-40(44)38-24-22-36(42(38,8)28-34)32(6)18-14-16-30(3)4/h9-10,29-38H,11-28H2,1-8H3/b10-9+/t31-,32-,33+,34+,35-,36-,37+,38+,41-,42-/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C=C(C3([C@@H]2O)C[C@@H]4[C@H](C3)OC(O4)(C)C)CO)(C)OC)OC
InChI: InChI=1S/C20H32O8/c1-17(2)25-13-8-20(9-14(13)26-17)11(10-21)7-12-15(16(20)22)28-19(4,24-6)18(3,23-5)27-12/h7,12-16,21-22H,8-10H2,1-6H3/t12-,13-,14+,15+,16-,18+,19+,20?/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](CCN3C(=O)CCCC(=O)[O-])NC2=O
InChI: InChI=1S/C18H21N3O5/c1-11-5-7-12(8-6-11)21-17(25)16-13(19-18(21)26)9-10-20(16)14(22)3-2-4-15(23)24/h5-8,13,16H,2-4,9-10H2,1H3,(H,19,26)(H,23,24)/p-1/t13-,16+/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)NC(=O)OCC=C)CN4CCCCC4
InChI: InChI=1S/C28H36N2O5/c1-3-17-33-28(32)29-24-13-11-23(12-14-24)27-34-25(18-30-15-5-4-6-16-30)20(2)26(35-27)22-9-7-21(19-31)8-10-22/h3,7-14,20,25-27,31H,1,4-6,15-19H2,2H3,(H,29,32)/t20-,25+,26+,27+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4[C@H](C3=O)C5(C6=CC=CC=C6C4C7=CC=CC=C75)Br
InChI: InChI=1S/C34H24BrNO6/c1-41-20-16-14-19(15-17-20)27(37)18-42-33(40)23-10-4-7-13-26(23)36-31(38)29-28-21-8-2-5-11-24(21)34(35,30(29)32(36)39)25-12-6-3-9-22(25)28/h2-17,28-30H,18H2,1H3/t28?,29-,30+,34?/m0/s1
SMILES: [3H]C1C([C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=CC1=O)C[C@@H]5[C@]4(CC=CC5)C(=O)C)C)C)[3H]
InChI: InChI=1S/C25H34O2/c1-16(26)25-11-5-4-6-18(25)15-22-20-8-7-17-14-19(27)9-12-23(17,2)21(20)10-13-24(22,25)3/h4-5,14,18,20-22H,6-13,15H2,1-3H3/t18-,20-,21+,22+,23+,24+,25+/m1/s1/i9T,12T/t9?,12?,18-,20-,21+,22+,23+,24+,25+
SMILES: CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C24H22BrN3O3/c1-2-26-17-7-4-3-6-16(17)24(23(26)31)20-19(18-8-5-13-27(18)24)21(29)28(22(20)30)15-11-9-14(25)10-12-15/h3-4,6-7,9-12,18-20H,2,5,8,13H2,1H3/p+1/t18-,19+,20-,24+/m0/s1
SMILES: CCC1=CC2=C(S1)N=CN(C2=O)NC(=S)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C16H20N4OS2/c1-2-11-7-12-14(23-11)17-8-20(15(12)21)19-16(22)18-13-6-9-3-4-10(13)5-9/h7-10,13H,2-6H2,1H3,(H2,18,19,22)/t9-,10+,13-/m0/s1
SMILES: CCOP(=O)(C(/C(=C\C(=O)N1[C@@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)/C)(F)F)OCC
InChI: InChI=1S/C19H30F2NO6PS/c1-6-27-29(24,28-7-2)19(20,21)13(3)10-16(23)22-15-11-14-8-9-18(15,17(14,4)5)12-30(22,25)26/h10,14-15H,6-9,11-12H2,1-5H3/b13-10-/t14-,15+,18-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O
InChI: InChI=1S/C17H23N5O2S/c1-11-4-3-5-15(12(11)2)18-16(24)10-25-17-19-20-21-22(17)13-6-8-14(23)9-7-13/h6-9,11-12,15,23H,3-5,10H2,1-2H3,(H,18,24)/t11-,12-,15+/m1/s1
SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI: InChI=1S/C20H24O8/c1-10(2)3-6-12-13(7-4-11-5-8-15(22)28-19(11)12)26-20-18(25)17(24)16(23)14(9-21)27-20/h3-5,7-8,14,16-18,20-21,23-25H,6,9H2,1-2H3/t14-,16-,17+,18-,20-/m1/s1
SMILES: CC1=CC(=CC=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C
InChI: InChI=1S/C17H23NO2/c1-11-5-4-6-12(9-11)14-10-13-7-8-15(18(13)2)16(14)17(19)20-3/h4-6,9,13-16H,7-8,10H2,1-3H3/t13-,14+,15+,16-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)O
InChI: InChI=1S/C18H22N2O6S/c1-20-15(22)11-12(16(20)23)18(17(24)25,7-8-27-3)19-13(11)9-5-4-6-10(26-2)14(9)21/h4-6,11-13,19,21H,7-8H2,1-3H3,(H,24,25)/t11-,12+,13+,18-/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)N(C1)C(=O)C
InChI: InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19-,23-,24+,25-,26-,27-,28-,29-,30-,31+/m0/s1