EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC(=C5)Br)OC)O)Cl)CBr)Cl
InChI: InChI=1S/C24H22Br2Cl2N2O6/c1-3-29-19(32)12-5-4-11-14(16(12)20(29)33)8-23(27)21(34)30(9-25)22(35)24(23,28)17(11)13-6-10(26)7-15(36-2)18(13)31/h4,6-7,12,14,16-17,31H,3,5,8-9H2,1-2H3/t12-,14+,16-,17+,23+,24-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@]3(O2)[C@@H](S(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C23H18O4S/c1-26-17-13-11-15(12-14-17)21-23(27-21)20(24)18-9-5-6-10-19(18)28(25)22(23)16-7-3-2-4-8-16/h2-14,21-22H,1H3/t21-,22+,23-,28?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)O)O)CO
InChI: InChI=1S/C19H42O5Si2/c1-18(2,3)25(7,8)23-14-11-13(12-20)15(21)16(22)17(14)24-26(9,10)19(4,5)6/h13-17,20-22H,11-12H2,1-10H3/t13-,14-,15-,16+,17+/m1/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(C6=CC=CC=C56)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C38H29ClN2O7/c1-48-37(47)41-33(43)27-15-14-26-28(31(27)35(41)45)19-29-34(44)40(22-11-7-10-21(39)18-22)36(46)38(29,20-8-3-2-4-9-20)32(26)25-16-17-30(42)24-13-6-5-12-23(24)25/h2-14,16-18,27-29,31-32,42H,15,19H2,1H3/t27-,28+,29-,31-,32-,38+/m0/s1
SMILES: COC1=C2C(=O)[C@H]([C@@H](OC2=C(C(=C1)O)OC)C3=CC=CC=C3)O
InChI: InChI=1S/C17H16O6/c1-21-11-8-10(18)16(22-2)17-12(11)13(19)14(20)15(23-17)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m1/s1
SMILES: CSC1=NC=NC2=C1N=CN2[C@@H]3C[C@@H]([C@H]([C@@H]3O)O)CO
InChI: InChI=1S/C12H16N4O3S/c1-20-12-8-11(13-4-14-12)16(5-15-8)7-2-6(3-17)9(18)10(7)19/h4-7,9-10,17-19H,2-3H2,1H3/t6-,7-,9-,10-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](C3=C2C(=CC(=C3)O)O)[C@H](C4=CC(=C(C=C4)O)OC)O)C5=CC(=CC(=C5)O)O)O
InChI: InChI=1S/C30H28O9/c1-38-24-9-14(3-5-21(24)34)26-27(16-7-17(31)11-18(32)8-16)29(20-12-19(33)13-23(36)28(20)26)30(37)15-4-6-22(35)25(10-15)39-2/h3-13,26-27,29-37H,1-2H3/t26-,27-,29-,30+/m1/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCC(=CC4)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H32FNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-24H,1,3-4,10-16H2,2H3/p+1/t21-,22-,23+,24+,26-/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3C(=O)O)Br)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H15BrClNO2/c20-11-8-15-13-2-1-3-14(13)17(10-4-6-12(21)7-5-10)22-18(15)16(9-11)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/t13-,14-,17-/m1/s1
SMILES: C=CCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O
InChI: InChI=1S/C12H21NO8/c1-2-3-20-12(11(18)19)4-6(15)8(13)10(21-12)9(17)7(16)5-14/h2,6-10,14-17H,1,3-5,13H2,(H,18,19)/t6-,7+,8+,9+,10+,12+/m0/s1
SMILES: CCOC(=O)C1=NN(C(=C1)C)CC(=O)O[C@@H]2C[C@@]([C@H]([C@@H]([C@@]34CCC([C@@]2(C3C(=O)CC4)C)C)C)O)(C)C=C
InChI: InChI=1S/C29H42N2O6/c1-8-27(6)15-22(37-23(33)16-31-18(4)14-20(30-31)26(35)36-9-2)28(7)17(3)10-12-29(19(5)25(27)34)13-11-21(32)24(28)29/h8,14,17,19,22,24-25,34H,1,9-13,15-16H2,2-7H3/t17?,19-,22+,24?,25-,27+,28-,29-/m0/s1
SMILES: CC1=C(C2=C([C@@H]3CO[C@H]4N3[C@H]5[C@@H]2N6CCO[C@@H]6[C@H]7[C@H]5N([C@@H]4C7)C)C(=C1OC)O)O
InChI: InChI=1S/C21H27N3O5/c1-8-17(25)13-12(18(26)19(8)27-3)11-7-29-21-10-6-9-14(22(10)2)16(24(11)21)15(13)23-4-5-28-20(9)23/h9-11,14-16,20-21,25-26H,4-7H2,1-3H3/t9-,10-,11+,14-,15-,16-,20-,21-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)C(C)(C)O
InChI: InChI=1S/C45H68O2Si/c1-10-33(43(6,7)46)22-21-32(2)39-25-26-40-38-24-23-34-31-35(27-29-44(34,8)41(38)28-30-45(39,40)9)47-48(42(3,4)5,36-17-13-11-14-18-36)37-19-15-12-16-20-37/h11-20,23,32-33,35,38-41,46H,10,21-22,24-31H2,1-9H3/t32-,33-,35+,38+,39-,40+,41+,44+,45-/m1/s1
SMILES: C1COCCN1C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C19H23N5O5/c25-19(24-5-8-26-9-6-24)23-14-11-29-16-13(10-28-17(14)16)22-18-20-4-3-12(21-18)15-2-1-7-27-15/h1-4,7,13-14,16-17H,5-6,8-11H2,(H,23,25)(H,20,21,22)/t13-,14-,16+,17+/m0/s1
SMILES: C[C@H](C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)OC3=CC=CC=C3
InChI: InChI=1S/C19H27NO3/c1-15(23-17-9-3-2-4-10-17)19(21)22-14-16-8-7-13-20-12-6-5-11-18(16)20/h2-4,9-10,15-16,18H,5-8,11-14H2,1H3/t15-,16+,18-/m1/s1
SMILES: CCOC(=O)N1CC[C@]2(CCCC[C@@H]2[C@@H]1C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C19H27NO4/c1-3-24-18(21)20-13-12-19(22)11-5-4-6-16(19)17(20)14-7-9-15(23-2)10-8-14/h7-10,16-17,22H,3-6,11-13H2,1-2H3/t16-,17+,19+/m1/s1
SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O
InChI: InChI=1S/C18H21N5O3S/c1-27-8-12-14(24)15(25)18(26-12)23-10-22-13-16(20-9-21-17(13)23)19-7-11-5-3-2-4-6-11/h2-6,9-10,12,14-15,18,24-25H,7-8H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
SMILES: CO[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC)O)CO)CC2=CC=CC=C2
InChI: InChI=1S/C15H22O5/c1-18-14-11(8-10-6-4-3-5-7-10)20-12(9-16)13(17)15(14)19-2/h3-7,11-17H,8-9H2,1-2H3/t11-,12+,13+,14-,15-/m0/s1
SMILES: CCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC
InChI: InChI=1S/C53H84O15/c1-17-18-19-20-21-22-23-24-28-31-39(55)62-42-41(63-50(14,15)60-16)51(33-32-35(2)40(61-37(4)54)36(3)34-38-29-26-25-27-30-38)64-43(44(56)65-47(5,6)7)52(59,45(57)66-48(8,9)10)53(42,68-51)46(58)67-49(11,12)13/h25-27,29-30,36,40-43,59H,2,17-24,28,31-34H2,1,3-16H3/t36?,40?,41-,42-,43-,51-,52-,53-/m1/s1
SMILES: CCCNC(=O)CCC(C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C7=CC=CC=C7)OO5)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C43H63NO9/c1-7-23-44-38(47)16-13-27(2)33-14-15-34-39-35(25-37(41(33,34)6)49-29(4)46)40(5)21-22-43(26-32(40)24-36(39)48-28(3)45)52-50-42(51-53-43)19-17-31(18-20-42)30-11-9-8-10-12-30/h8-12,27,31-37,39H,7,13-26H2,1-6H3,(H,44,47)/t27?,31?,32-,33-,34?,35?,36-,37+,39?,40+,41-,42?,43?/m1/s1
SMILES: C1=C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NCCC3=CC=C(C=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C16H16ClNO4/c17-10-3-1-9(2-4-10)7-8-18-15(19)13-11-5-6-12(22-11)14(13)16(20)21/h1-6,11-14H,7-8H2,(H,18,19)(H,20,21)/p-1/t11-,12+,13-,14+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C20H28N2O4/c1-4-26-17-10-9-14(11-18(17)25-3)12-21(2)13-22-19(23)15-7-5-6-8-16(15)20(22)24/h9-11,15-16H,4-8,12-13H2,1-3H3/p+1/t15-,16+
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)F)O)C)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C
InChI: InChI=1S/C36H32ClFN4O5S/c1-5-41-32(44)19-11-10-18-22(28(19)34(41)46)14-23-33(45)42(35(47)36(23,3)29(18)20-7-6-8-24(38)30(20)43)27-15-25(39-40(27)4)31-16(2)21-13-17(37)9-12-26(21)48-31/h6-10,12-13,15,19,22-23,28-29,43H,5,11,14H2,1-4H3/t19-,22+,23-,28-,29+,36+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CC(=O)C5(C)C)C)C)C(=O)O
InChI: InChI=1S/C29H44O3/c1-17(2)18-10-13-29(24(31)32)15-14-27(6)19(23(18)29)8-9-21-26(5)16-22(30)25(3,4)20(26)11-12-28(21,27)7/h18-21,23H,1,8-16H2,2-7H3,(H,31,32)/t18-,19?,20?,21?,23?,26-,27+,28+,29-/m0/s1
SMILES: C1[C@@H]([C@H]2C[C@@]2([C@H]1OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)COP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C=NC8=C7N=C(N=C8Cl)N
InChI: InChI=1S/C40H40ClN5O8P2/c41-37-36-38(45-39(42)44-37)46(28-43-36)34-21-35(54-56(48,51-25-31-17-9-3-10-18-31)52-26-32-19-11-4-12-20-32)40(22-33(34)40)27-53-55(47,49-23-29-13-5-1-6-14-29)50-24-30-15-7-2-8-16-30/h1-20,28,33-35H,21-27H2,(H2,42,44,45)/t33-,34+,35+,40-/m1/s1
SMILES: CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C29H36F3N3O5/c1-3-40-25-18-35(22-11-13-28(38,14-12-22)20-7-9-23(39-2)10-8-20)17-24(25)34-26(36)16-33-27(37)19-5-4-6-21(15-19)29(30,31)32/h4-10,15,22,24-25,38H,3,11-14,16-18H2,1-2H3,(H,33,37)(H,34,36)/t22?,24-,25-,28?/m0/s1
SMILES: CC[NH+]1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)OCC
InChI: InChI=1S/C22H23N5O/c1-3-27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)15-5-7-16(8-6-15)28-4-2/h5-9,18-20,26H,3-4,10,12H2,1-2H3/p+1/t18?,19-,20+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OCCCN
InChI: InChI=1S/C12H20N4O5/c13-3-1-5-20-10-9(18)7(6-17)21-11(10)16-4-2-8(14)15-12(16)19/h2,4,7,9-11,17-18H,1,3,5-6,13H2,(H2,14,15,19)/t7-,9-,10-,11-/m1/s1
SMILES: C1[C@@H]([C@H](OC1=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-]
InChI: InChI=1S/C18H15NO5/c20-15-10-14(16(24-15)11-4-2-1-3-5-11)17(21)19-13-8-6-12(7-9-13)18(22)23/h1-9,14,16H,10H2,(H,19,21)(H,22,23)/p-1/t14-,16+/m0/s1
SMILES: C1C(CC2=CC=CC=C21)CC3=N[C@@H]([C@@H](N3)C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C25H24N2.C2HF3O2/c1-3-9-19(10-4-1)24-25(20-11-5-2-6-12-20)27-23(26-24)17-18-15-21-13-7-8-14-22(21)16-18;3-2(4,5)1(6)7/h1-14,18,24-25H,15-17H2,(H,26,27);(H,6,7)/t24-,25+;
SMILES: CCOC1=NC2=C(C=CC=C2Cl)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C35H45ClN4O8/c1-2-46-29-18-28(25-14-9-15-26(36)31(25)38-29)47-24-17-27-32(42)39-35(33(43)44)19-21(35)10-5-3-4-6-11-22(16-30(41)40(27)20-24)37-34(45)48-23-12-7-8-13-23/h9,14-15,18,21-24,27H,2-8,10-13,16-17,19-20H2,1H3,(H,37,45)(H,39,42)(H,43,44)/t21-,22+,24-,27+,35-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](CO)OS(=O)(=O)C)O)C
InChI: InChI=1S/C10H18O8S/c1-10(2)16-8-6(12)7(15-9(8)17-10)5(4-11)18-19(3,13)14/h5-9,11-12H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1
SMILES: CCCN1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3
InChI: InChI=1S/C19H19N5S/c1-2-5-24-6-3-14-15(8-20)18(23)19(11-21,12-22)17(16(14)9-24)13-4-7-25-10-13/h3-4,7,10,16-17H,2,5-6,9,23H2,1H3/t16-,17-/m1/s1
SMILES: CC1=CC2=C(C=C[C@@H]3N2[C@H]([C@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)F)C(=O)C)C=C1
InChI: InChI=1S/C29H22FNO3/c1-16-7-8-18-11-14-24-29(27(33)21-5-3-4-6-22(21)28(29)34)25(19-9-12-20(30)13-10-19)26(17(2)32)31(24)23(18)15-16/h3-15,24-26H,1-2H3/t24-,25+,26-/m0/s1
SMILES: CC[NH+]1CC[NH+](CC1)C[C@@H](CO[C@@H]2C[C@@H](CC[C@@H]2C(C)C)C)O
InChI: InChI=1S/C19H38N2O2/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-19-12-16(4)6-7-18(19)15(2)3/h15-19,22H,5-14H2,1-4H3/p+2/t16-,17+,18-,19-/m1/s1
SMILES: C1CCC(CC1)C[C@H](CCO)[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O
InChI: InChI=1S/C30H41NO4/c32-16-15-24(17-21-9-3-1-4-10-21)27(33)20-25(18-22-11-5-2-6-12-22)30(35)31-29-26-14-8-7-13-23(26)19-28(29)34/h2,5-8,11-14,21,24-25,27-29,32-34H,1,3-4,9-10,15-20H2,(H,31,35)/t24-,25-,27-,28+,29-/m0/s1
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)CC)C
InChI: InChI=1S/C25H36O5/c1-5-22(27)29-20-14-25(4)15(13-19(20)26)7-8-16-17-9-10-21(30-23(28)6-2)24(17,3)12-11-18(16)25/h13,16-18,20-21H,5-12,14H2,1-4H3/t16-,17-,18-,20+,21-,24-,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3CCCC[C@H]3C
InChI: InChI=1S/C17H27N3O3/c1-12-7-3-5-9-17(12)15(22)20(16(23)18-17)11-14(21)19-10-6-4-8-13(19)2/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,13-,17-/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4=CC=C(C=C4)C(C)(C)C
InChI: InChI=1S/C26H31N3O6/c1-15(30)16-6-5-7-19(12-16)28-25(32)35-21-14-34-22-20(13-33-23(21)22)29-24(31)27-18-10-8-17(9-11-18)26(2,3)4/h5-12,20-23H,13-14H2,1-4H3,(H,28,32)(H2,27,29,31)/t20-,21+,22+,23+/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)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=CC=C(C7=CC=CC=C67)O)Cl)CBr)Cl
InChI: InChI=1S/C32H23BrCl3F3N4O5/c1-41(25-20(34)9-11-22(40-25)32(37,38)39)43-26(45)18-7-6-17-19(23(18)27(43)46)12-30(35)28(47)42(13-33)29(48)31(30,36)24(17)16-8-10-21(44)15-5-3-2-4-14(15)16/h2-6,8-11,18-19,23-24,44H,7,12-13H2,1H3/t18-,19+,23-,24-,30+,31-/m0/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5=C(C=CC=C5F)F)C)O)F)C)F
InChI: InChI=1S/C30H29F4NO6/c1-15-11-17-18-13-22(33)19-12-16(36)7-8-27(19,2)29(18,34)23(37)14-28(17,3)30(15,26(39)40-10-9-35)41-25(38)24-20(31)5-4-6-21(24)32/h4-8,12,15,17-18,22-23,37H,10-11,13-14H2,1-3H3/t15-,17?,18?,22+,23+,27+,28+,29+,30+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)C=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C15H18O5/c1-15(2)19-13-12(11(8-16)18-14(13)20-15)17-9-10-6-4-3-5-7-10/h3-8,11-14H,9H2,1-2H3/t11-,12-,13+,14+/m1/s1
SMILES: C1[C@@H]([C@H]2[C@@H]([C@@H]1N)C(=NO2)C3=CC=CC=C3)CO
InChI: InChI=1S/C13H16N2O2/c14-10-6-9(7-16)13-11(10)12(15-17-13)8-4-2-1-3-5-8/h1-5,9-11,13,16H,6-7,14H2/t9-,10-,11+,13+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](OC(O[C@H]2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CNS(=O)(=O)C5=CC=CC=C5)CSC6=NN=NN6C7=CC=C(C=C7)O
InChI: InChI=1S/C38H35N5O6S2/c44-24-27-13-15-29(16-14-27)36-35(28-7-3-1-4-8-28)34(25-50-38-40-41-42-43(38)31-19-21-32(45)22-20-31)48-37(49-36)30-17-11-26(12-18-30)23-39-51(46,47)33-9-5-2-6-10-33/h1-22,34-37,39,44-45H,23-25H2/t34-,35-,36+,37?/m1/s1
SMILES: C1CCC(CC1)[C@H]2[C@H]3CCCN3CCN2CC4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C21H29F3N2/c22-21(23,24)18-10-8-16(9-11-18)15-26-14-13-25-12-4-7-19(25)20(26)17-5-2-1-3-6-17/h8-11,17,19-20H,1-7,12-15H2/t19-,20+/m1/s1
SMILES: CCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H](CC[C@]34CO4)OC(=O)C)C)OC(=O)C)O)/C
InChI: InChI=1S/C27H38O10/c1-7-21(30)36-18-9-8-14(2)12-20-27(32,15(3)24(31)37-20)23(35-17(5)29)22-25(18,6)19(34-16(4)28)10-11-26(22)13-33-26/h12,15,18-20,22-23,32H,7-11,13H2,1-6H3/b14-12-/t15-,18-,19-,20-,22+,23-,25-,26-,27-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)C3=CC4=CC=CC=C4N3)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C
InChI: InChI=1S/C32H37NO4Si/c1-31(2,3)38(23-15-8-6-9-16-23,24-17-10-7-11-18-24)34-21-27-29-30(37-32(4,5)36-29)28(35-27)26-20-22-14-12-13-19-25(22)33-26/h6-20,27-30,33H,21H2,1-5H3/t27-,28+,29-,30+/m1/s1
SMILES: CC([C@@H]1C[C@H]1C2=CC(=CC=C2)OC3=CC=CC=C3)N(C(=O)NC)O
InChI: InChI=1S/C19H22N2O3/c1-13(21(23)19(22)20-2)17-12-18(17)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13,17-18,23H,12H2,1-2H3,(H,20,22)/t13?,17-,18-/m0/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)C5=C(C=CC(=C5)C(F)(F)F)Cl
InChI: InChI=1S/C18H13ClF3NO2/c19-11-4-1-8(18(20,21)22)7-12(11)23-15(24)13-9-2-3-10(14(13)16(23)25)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2/t9-,10+,13-,14-/m0/s1
SMILES: CCOC(=O)[C@H]([C@H]1[C@H](COC(O1)(C)C)O)NC2=CC=C(C=C2)OC
InChI: InChI=1S/C17H25NO6/c1-5-22-16(20)14(15-13(19)10-23-17(2,3)24-15)18-11-6-8-12(21-4)9-7-11/h6-9,13-15,18-19H,5,10H2,1-4H3/t13-,14-,15+/m0/s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C
InChI: InChI=1S/C24H34O4/c1-5-21(27)28-24(15(2)25)13-10-20-18-7-6-16-14-17(26)8-11-22(16,3)19(18)9-12-23(20,24)4/h14,18-20H,5-13H2,1-4H3/t18-,19+,20+,22+,23+,24+/m1/s1
SMILES: CCCCCCCCNC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C18H26N2O3/c1-2-3-4-5-6-7-12-19-18(21)17-13-16(17)14-8-10-15(11-9-14)20(22)23/h8-11,16-17H,2-7,12-13H2,1H3,(H,19,21)/t16-,17+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C19H26N4OS2/c1-12-6-5-8-14(13(12)2)21-19(25)23-22-17(24)10-11-18-20-15-7-3-4-9-16(15)26-18/h3-4,7,9,12-14H,5-6,8,10-11H2,1-2H3,(H,22,24)(H2,21,23,25)/t12-,13-,14+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C=O)OC
InChI: InChI=1S/C19H27N3O4S/c1-12-5-4-6-15(13(12)2)20-19(27)22-21-18(24)11-26-16-8-7-14(10-23)9-17(16)25-3/h7-10,12-13,15H,4-6,11H2,1-3H3,(H,21,24)(H2,20,22,27)/t12-,13-,15-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[131I])CO)O
InChI: InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10+4
SMILES: CN(C[C@]1(C[C@H]1CN2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)Cl)S(=O)(=O)C6=CC=C(S6)C7=CC=CC=N7
InChI: InChI=1S/C37H39ClN4O4S3/c1-41(49(45,46)36-16-15-34(47-36)33-13-4-5-19-39-33)26-37(29-10-7-11-31(38)22-29)23-30(37)25-42-20-17-27(18-21-42)24-40-48(43,44)35-14-6-9-28-8-2-3-12-32(28)35/h2-16,19,22,27,30,40H,17-18,20-21,23-26H2,1H3/t30-,37+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)(C[N+](=O)[O-])C[N+](=O)[O-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H46N4O10Si/c1-26-22-40(35(44)39-33(26)43)34-32(52-53(6,7)36(2,3)4)37(24-41(45)46,25-42(47)48)31(51-34)23-50-38(27-14-10-8-11-15-27,28-16-12-9-13-17-28)29-18-20-30(49-5)21-19-29/h8-22,31-32,34H,23-25H2,1-7H3,(H,39,43,44)/t31-,32+,34-/m1/s1
SMILES: C1CN(CCC1C(=O)N)C(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H25N3O4/c19-16(23)12-7-10-20(11-8-12)15(22)6-3-9-21-17(24)13-4-1-2-5-14(13)18(21)25/h1-2,12-14H,3-11H2,(H2,19,23)/t13-,14-/m0/s1
SMILES: CCOC1=CC=C(C=C1)CC2=CC(=C(C=C2C)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C51H54O6S/c1-4-54-44-27-25-38(26-28-44)30-43-31-45(46(52-3)29-37(43)2)51-50(57-35-42-23-15-8-16-24-42)49(56-34-41-21-13-7-14-22-41)48(55-33-40-19-11-6-12-20-40)47(58-51)36-53-32-39-17-9-5-10-18-39/h5-29,31,47-51H,4,30,32-36H2,1-3H3/t47-,48-,49+,50-,51+/m1/s1
SMILES: C[C@H](/C=C/[C@@H]1COC(OC1(C)C)(C)C)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C43H76O4Si2/c1-30(20-23-34-29-44-42(11,12)47-41(34,9)10)36-24-25-37-32(19-18-26-43(36,37)13)21-22-33-27-35(45-48(14,15)39(3,4)5)28-38(31(33)2)46-49(16,17)40(6,7)8/h20-23,30,34-38H,2,18-19,24-29H2,1,3-17H3/b23-20+,32-21+,33-22+/t30-,34-,35-,36-,37?,38+,43-/m1/s1
SMILES: CCC[C@@H]1C[C@@H]2CC(=O)[C@]([C@H]([C@@H]2CO1)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)(C)O
InChI: InChI=1S/C23H29F3O6/c1-4-8-16-11-14-12-18(27)21(2,29)19(17(14)13-31-16)32-20(28)22(30-3,23(24,25)26)15-9-6-5-7-10-15/h5-7,9-10,14,16-17,19,29H,4,8,11-13H2,1-3H3/t14-,16-,17-,19+,21+,22-/m1/s1
SMILES: C[C@@]12[C@@H](O1)C[C@H]3[C@@H]2[C@@H]4[C@@H](CCC3=C)[C@H](C(=O)O4)CN5CCN(CC5)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C26H32N2O4/c1-16-8-9-18-20(25(30)31-23(18)22-19(16)14-21-26(22,2)32-21)15-27-10-12-28(13-11-27)24(29)17-6-4-3-5-7-17/h3-7,18-23H,1,8-15H2,2H3/t18-,19+,20+,21-,22+,23-,26-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OC2CCCC[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H38O11Si/c1-20(32)36-19-26-28(37-21(2)33)29(38-22(3)34)30(31(40-26)39-23(4)35)41-27-17-11-12-18-43(42-27,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,26-31H,11-12,17-19H2,1-4H3/t26-,27?,28-,29+,30+,31-/m1/s1
SMILES: CCC[C@@]12CC[C@@H](O1)[C@](C(=O)C2)(C(C)C)C(=O)OCC
InChI: InChI=1S/C16H26O4/c1-5-8-15-9-7-13(20-15)16(11(3)4,12(17)10-15)14(18)19-6-2/h11,13H,5-10H2,1-4H3/t13-,15+,16-/m1/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=NC(CC(=O)N)C(=O)O)N
InChI: InChI=1S/C12H18N6O7/c13-6(20)1-4(12(23)24)16-9(14)10-15-3-18(17-10)11-8(22)7(21)5(2-19)25-11/h3-5,7-8,11,19,21-22H,1-2H2,(H2,13,20)(H2,14,16)(H,23,24)/t4?,5-,7-,8-,11-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@]2(CC[C@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CCC(=C5)OC)C)C)OC1=O
InChI: InChI=1S/C26H36O5/c1-5-30-22(27)19-15-26(31-23(19)28)13-10-21-18-7-6-16-14-17(29-4)8-11-24(16,2)20(18)9-12-25(21,26)3/h6,14,18-21H,5,7-13,15H2,1-4H3/t18-,19+,20+,21+,24-,25-,26+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C=C)O
InChI: InChI=1S/C30H25BrCl2N2O6/c1-3-15-4-7-17(8-5-15)35-25(37)19-10-9-18-20(23(19)26(35)38)13-29(32)27(39)34(14-31)28(40)30(29,33)24(18)16-6-11-21(36)22(12-16)41-2/h3-9,11-12,19-20,23-24,36H,1,10,13-14H2,2H3/t19-,20+,23-,24-,29+,30-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC(C)(C)C)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H82FN3O8/c1-7-9-10-11-12-13-14-15-16-21-36-66-56(65)62(40-43-27-29-45(59)30-28-43)53-39-51(61-70-57(4,5)6)49-37-44(24-17-19-33-63)48(26-18-20-34-64)54-50-38-47(67-41-46-25-22-23-42(3)60-46)31-32-52(50)69-58(53,55(49)54)68-35-8-2/h8,22-23,25,27-32,37-38,44,48,53-55,63-64H,2,7,9-21,24,26,33-36,39-41H2,1,3-6H3/t44-,48+,53-,54+,55+,58+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C20H27NO5S/c1-2-26-20(25)16-14-10-4-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C23H29NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h5-9,11,18-19,21,24H,4,10,12-14H2,1-3H3/p+1/t18-,19+,21-,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCC(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=C3C=CC(=C6)OC
InChI: InChI=1S/C32H39NO5/c1-32-14-13-25-24-11-9-23(36-2)16-21(24)8-10-26(25)31(32)22(17-29(32)34)5-3-4-6-30(35)33-18-20-7-12-27-28(15-20)38-19-37-27/h7,9,11-12,15-16,22,25-26,31H,3-6,8,10,13-14,17-19H2,1-2H3,(H,33,35)/t22-,25-,26-,31+,32-/m1/s1
SMILES: C1COC2(O1)[C@@H]3[C@H]4[C@H]5C3[C@H]6[C@@H]2C(=C4NO)[C@@H]5C6
InChI: InChI=1S/C13H15NO3/c15-14-12-8-4-3-5-7-6(4)9(12)11(7)13(10(5)8)16-1-2-17-13/h4-7,9-11,14-15H,1-3H2/t4-,5+,6-,7?,9-,10-,11+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4
InChI: InChI=1S/C24H30N2O5/c27-21(25-12-10-18(11-13-25)14-17-6-2-1-3-7-17)16-31-22(28)15-26-23(29)19-8-4-5-9-20(19)24(26)30/h1-3,6-7,18-20H,4-5,8-16H2/t19-,20+
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C
InChI: InChI=1S/C20H25N3O4S/c1-13-6-3-4-8-17(13)22-18(24)11-26-20(25)16-7-5-9-21-19(16)28-12-15-10-14(2)27-23-15/h5,7,9-10,13,17H,3-4,6,8,11-12H2,1-2H3,(H,22,24)/t13-,17+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H24N2O4/c1-13-7-5-6-10-15(13)20-16(21)12-24-17(22)11-19-18(23)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,19,23)(H,20,21)/t13-,15+/m1/s1
SMILES: COC1=CC=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)O
InChI: InChI=1S/C30H22BrNO9/c1-41-22-4-2-3-19(33)26(22)25-13-7-8-15-23(16(13)10-17-24(25)21(35)11-18(31)27(17)36)29(38)32(28(15)37)12-5-6-14(30(39)40)20(34)9-12/h2-7,9,11,15-16,23,25,33-34H,8,10H2,1H3,(H,39,40)/t15-,16+,23-,25-/m0/s1
SMILES: C1[C@@H]([C@@H]2CO[C@H](C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4Cl
InChI: InChI=1S/C13H11ClN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9-,11-,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)[C@@]2(CC(=C(CS2=O)C)C)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C24H34O3S/c1-16(2)21-12-11-17(3)13-22(21)27-23(25)24(20-9-7-6-8-10-20)14-18(4)19(5)15-28(24)26/h6-10,16-17,21-22H,11-15H2,1-5H3/t17-,21+,22+,24-,28?/m1/s1
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)OC)CCC5=CC(CCC35C=O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O
InChI: InChI=1S/C35H50O14/c1-33-8-6-21-22(35(33,44-2)10-7-20(33)17-11-25(38)45-14-17)4-3-18-12-19(5-9-34(18,21)16-37)47-31-29(42)27(40)24(15-46-31)49-32-30(43)28(41)26(39)23(13-36)48-32/h11-12,16,19-24,26-32,36,39-43H,3-10,13-15H2,1-2H3/t19?,20?,21?,22?,23-,24-,26-,27+,28+,29-,30-,31+,32+,33?,34?,35?/m1/s1
SMILES: CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)C2)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C27H40O5/c1-3-4-9-19(2)24(31-26-10-5-7-14-29-26)13-12-22-23-18-21(28)16-20(23)17-25(22)32-27-11-6-8-15-30-27/h12-13,19-20,22-27H,5-11,14-18H2,1-2H3/b13-12+/t19?,20-,22+,23-,24+,25+,26?,27?/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OCOC)C)OCOC)C)C(=O)/C=C/C(F)(F)F
InChI: InChI=1S/C29H45F3O5/c1-18(25(33)10-13-29(30,31)32)21-6-7-22-20-15-26(37-17-35-5)24-14-19(36-16-34-4)8-11-28(24,3)23(20)9-12-27(21,22)2/h10,13,18-24,26H,6-9,11-12,14-17H2,1-5H3/b13-10+/t18-,19+,20-,21+,22-,23-,24-,26-,27+,28+/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)O2)C(=O)[O-]
InChI: InChI=1S/C17H14O5/c1-21-11-6-4-5-10(9-11)15-14(16(18)19)12-7-2-3-8-13(12)17(20)22-15/h2-9,14-15H,1H3,(H,18,19)/p-1/t14-,15-/m1/s1
SMILES: CCOC(=O)/C/1=C\[C@H]2[C@@H](C[C@H](C[C@H](CC1=O)OCOC)OCOC)C=C[C@H]3[C@@H]2C[C@@H]([C@@H]3OCOC)C
InChI: InChI=1S/C27H42O9/c1-6-33-27(29)24-13-22-18(7-8-21-23(22)9-17(2)26(21)36-16-32-5)10-19(34-14-30-3)11-20(12-25(24)28)35-15-31-4/h7-8,13,17-23,26H,6,9-12,14-16H2,1-5H3/b24-13-/t17-,18+,19+,20+,21-,22-,23-,26-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C19H20N2O4/c1-10(22)11-3-2-4-14(8-11)20-15(23)9-21-18(24)16-12-5-6-13(7-12)17(16)19(21)25/h2-4,8,12-13,16-17H,5-7,9H2,1H3,(H,20,23)/t12-,13+,16-,17+
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H18N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-3,6-9,13-14H,4-5H2,1H3,(H,17,20)(H,18,19)(H,21,22)/p-1/t13-,14+/m1/s1