EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@@]3(CCOC(=O)C3=CO2)O)C=C)CO)O)O
InChI: InChI=1S/C18H24O11/c1-3-9-16(26-7-10-15(23)25-5-4-18(9,10)24)29-17-14(27-8(2)20)13(22)12(21)11(6-19)28-17/h3,7,9,11-14,16-17,19,21-22,24H,1,4-6H2,2H3/t9-,11+,12+,13-,14+,16-,17-,18+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](SC(S1)N2C=NC3=C2N=CN=C3Cl)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H39ClN4O2S2Si2/c1-21(2,3)32(7,8)28-11-15-16(12-29-33(9,10)22(4,5)6)31-20(30-15)27-14-26-17-18(23)24-13-25-19(17)27/h13-16,20H,11-12H2,1-10H3/t15-,16-/m1/s1
SMILES: C[C@@]12[C@@H]([C@H]([C@@](O1)([C@@H](CO2)O)CC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H28O5/c1-3-14-24-20(25)17-28-23(2,29-24)21(26-15-18-10-6-4-7-11-18)22(24)27-16-19-12-8-5-9-13-19/h3-13,20-22,25H,1,14-17H2,2H3/t20-,21-,22-,23+,24+/m1/s1
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=NC4=C(S3)C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C20H18N2O6S2/c23-8-12-15(24)16(25)17(26)20(28-12)27-9-5-6-11-14(7-9)30-19(22-11)18-21-10-3-1-2-4-13(10)29-18/h1-7,12,15-17,20,23-26H,8H2/t12-,15+,16+,17-,20-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C6=C(C(=CC(=C6)Br)OC)O
InChI: InChI=1S/C32H27BrN4O10/c1-13-7-23(38)19-12-18-16(25(27(19)29(13)39)20-8-14(33)9-24(47-4)30(20)40)5-6-17-26(18)32(42)35(31(17)41)15-10-21(36(43)44)28(34(2)3)22(11-15)37(45)46/h5,7-11,17-18,25-26,40H,6,12H2,1-4H3/t17-,18+,25+,26-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC)C(C4=CC=CC=C4)(C5=CC=CC=C5)NC)C
InChI: InChI=1S/C33H36N2O2/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,34-35H,1-4H3/t29-,30-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=CC(=CC(=C4NC3=O)C)C)C
InChI: InChI=1S/C20H25N3O3/c1-5-6-7-23-17(24)14-12(4)22-20(15(14)18(23)25)13-9-10(2)8-11(3)16(13)21-19(20)26/h8-9,12,14-15,22H,5-7H2,1-4H3,(H,21,26)/t12-,14+,15-,20+/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)N)OC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C37H45NO17/c1-20(39)45-18-27-29(47-16-25-12-8-6-9-13-25)31(48-17-26-14-10-7-11-15-26)33(35(52-27)51-24(5)43)54-36-34(50-23(4)42)32(55-37(38)44)30(49-22(3)41)28(53-36)19-46-21(2)40/h6-15,27-36H,16-19H2,1-5H3,(H2,38,44)/t27-,28+,29+,30+,31-,32-,33-,34-,35-,36+/m0/s1
SMILES: C[C@H](CCCO)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C
InChI: InChI=1S/C33H63N3O4/c1-23(8-4-16-37)26-9-10-27-31-28(22-30(33(26,27)3)40-19-7-15-36)32(2)12-11-25(38-17-5-13-34)20-24(32)21-29(31)39-18-6-14-35/h23-31,37H,4-22,34-36H2,1-3H3/t23-,24+,25-,26?,27+,28+,29-,30+,31+,32+,33-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC=CC=C4)CCCO
InChI: InChI=1S/C31H35N3O5/c1-2-38-31-24(11-8-18-35)25(22-9-4-3-5-10-22)19-28(39-31)30(37)33-20-21-14-16-23(17-15-21)29(36)34-27-13-7-6-12-26(27)32/h3-7,9-10,12-17,19,24-25,31,35H,2,8,11,18,20,32H2,1H3,(H,33,37)(H,34,36)/t24-,25-,31-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H25NO6S/c1-4-30-23(26)22-20(15-8-10-19(29-2)11-9-15)13-17(14-21(22)25)16-6-5-7-18(12-16)24-31(3,27)28/h5-12,14,20,22,24H,4,13H2,1-3H3/t20-,22-/m1/s1
SMILES: C/C(=C/C=C)/[C@H]1CCCC[C@@H]1CC(=O)/C=C/S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C21H26O3S/c1-3-9-17(2)21-13-8-7-10-18(21)16-19(22)14-15-25(23,24)20-11-5-4-6-12-20/h3-6,9,11-12,14-15,18,21H,1,7-8,10,13,16H2,2H3/b15-14+,17-9-/t18-,21-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H25N5O5/c1-17(34)18-11-13-22(14-12-18)29-28(35)38-24-16-37-25-23(15-36-26(24)25)33-27(30-31-32-33)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14,23-26H,15-16H2,1H3,(H,29,35)/t23-,24+,25+,26+/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC6=CC=CC=C6)OCC=C
InChI: InChI=1S/C52H71N3O11/c1-6-27-64-52-47(55(23-28-60-29-26-58)50(59)62-31-30-61-35-38-16-8-7-9-17-38)34-45(54-66-51(3,4)5)43-32-39(18-10-12-24-56)42(20-11-13-25-57)48(49(43)52)44-33-41(21-22-46(44)65-52)63-36-40-19-14-15-37(2)53-40/h6-9,14-17,19,21-22,32-33,39,42,47-49,56-58H,1,10-13,18,20,23-31,34-36H2,2-5H3/t39-,42+,47-,48+,49+,52+/m0/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@@H]2CCC3=CC=CC=C3)COC(=O)C)C)C
InChI: InChI=1S/C22H30O3/c1-15-12-16(2)22(13-24-18(4)23)14-25-20(21(15)17(22)3)11-10-19-8-6-5-7-9-19/h5-9,12,16-17,20-21H,10-11,13-14H2,1-4H3/t16-,17-,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=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C27H20BrNO4/c1-2-33-26(32)15-8-7-9-16(14-15)29-24(30)22-21-17-10-3-5-12-19(17)27(28,23(22)25(29)31)20-13-6-4-11-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23+,27?/m0/s1
SMILES: CO[C@]12C3=CC=CC=C3C(=O)[C@H](O1)[C@]4([C@@]2([C@@H]4C=C)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C27H22O3/c1-3-22-25(18-12-6-4-7-13-18)24-23(28)20-16-10-11-17-21(20)27(29-2,30-24)26(22,25)19-14-8-5-9-15-19/h3-17,22,24H,1H2,2H3/t22-,24+,25+,26+,27-/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1[O-])C3=CC(=CC=C3)OCCC[N+]45CCN(CC4)CC5)CCCC
InChI: InChI=1S/C35H53N3O4S/c1-5-7-15-35(16-8-6-2)27-43(40,41)32-14-13-29(36(3)4)26-31(32)33(34(35)39)28-11-9-12-30(25-28)42-24-10-20-38-21-17-37(18-22-38)19-23-38/h9,11-14,25-26,33-34H,5-8,10,15-24,27H2,1-4H3/t33-,34-/m1/s1
SMILES: C1CCC(CC1)P([C@@H]2CCCC[C@H]2P(C3CCCCC3)C4CCCCC4)C5CCCCC5
InChI: InChI=1S/C30H54P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h25-30H,1-24H2/t29-,30-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CO[C@@]3(C[C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC7=CC=C(C=C7)Cl)C
InChI: InChI=1S/C43H49ClO9/c1-42(2)52-39-36(50-41(45-3)40(39)53-42)29-49-43(23-30-19-21-34(44)22-20-30)24-35(47-26-32-15-9-5-10-16-32)38(48-27-33-17-11-6-12-18-33)37(51-43)28-46-25-31-13-7-4-8-14-31/h4-22,35-41H,23-29H2,1-3H3/t35-,36-,37-,38-,39-,40-,41-,43+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)O[C@@H](C)C(=O)NC3CC3
InChI: InChI=1S/C19H30N2O4/c1-11-5-4-6-16(12(11)2)21-10-14(9-17(21)22)19(24)25-13(3)18(23)20-15-7-8-15/h11-16H,4-10H2,1-3H3,(H,20,23)/t11-,12-,13+,14-,16+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCCC=C)O)OC2=CC=C(C=C2)Br)OCC3=CC=CC=C3
InChI: InChI=1S/C33H49BrO6Si/c1-8-9-13-20-36-33-30(35)32(39-28-18-16-27(34)17-19-28)31(37-21-26-14-11-10-12-15-26)29(40-33)22-38-41(23(2)3,24(4)5)25(6)7/h8,10-12,14-19,23-25,29-33,35H,1,9,13,20-22H2,2-7H3/t29-,30-,31-,32-,33-/m1/s1
SMILES: CC1(C[C@]2(CCO1)[C@@H](CC(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C
InChI: InChI=1S/C17H19ClN2O6/c1-16(2)9-17(5-6-25-16)11(8-14(21)26-17)15(22)19-12-4-3-10(18)7-13(12)20(23)24/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,19,22)/t11-,17+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=C(C=CC(=C2)C)C)C(C)C
InChI: InChI=1S/C21H30O4/c1-13(2)17-9-7-15(4)11-19(17)25-20(22)12-24-21(23)18-10-14(3)6-8-16(18)5/h6,8,10,13,15,17,19H,7,9,11-12H2,1-5H3/t15-,17+,19+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H30ClFN2O7/c1-32-20(9-5-15-11-24(42-3)27(37)25(12-15)43-4)17-7-8-18-26(30(40)35(2)28(18)38)19(17)14-21(32)29(39)36(31(32)41)16-6-10-23(34)22(33)13-16/h5-7,9-13,18-21,26,37H,8,14H2,1-4H3/t18-,19+,20-,21-,26-,32-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7CCCCCCC7
InChI: InChI=1S/C45H51N3O7/c1-31-40(28-47-22-8-3-2-4-9-23-47)54-44(55-42(31)35-20-18-32(29-49)19-21-35)38-17-11-16-37(25-38)36-15-10-14-34(24-36)27-48-41(50)26-39(43(48)51)46-45(52)53-30-33-12-6-5-7-13-33/h5-7,10-21,24-25,31,39-40,42,44,49H,2-4,8-9,22-23,26-30H2,1H3,(H,46,52)/t31-,39?,40+,42+,44+/m0/s1
SMILES: CCCC(=O)O[C@H]1CC(=O)[C@@H]([C@H]2[C@@]1([C@@H](/C=C/C(=C)[C@@H]([C@H]3[C@@]([C@H]2OC(=O)C)([C@H](C(=O)O3)C)O)Cl)OC(=O)C)C)C
InChI: InChI=1S/C28H37ClO10/c1-8-9-21(33)38-20-12-18(32)14(3)22-24(37-17(6)31)28(35)15(4)26(34)39-25(28)23(29)13(2)10-11-19(27(20,22)7)36-16(5)30/h10-11,14-15,19-20,22-25,35H,2,8-9,12H2,1,3-7H3/b11-10+/t14-,15-,19+,20-,22+,23-,24-,25-,27+,28-/m0/s1
SMILES: CC1=CC(=CC=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C17H22N2O5/c1-11-5-4-6-12(9-11)24-10-15(20)18-19-16(21)13-7-2-3-8-14(13)17(22)23/h4-6,9,13-14H,2-3,7-8,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t13-,14-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C22H27NO/c1-2-11-20(12-3-1)24-21-13-6-8-18(16-21)17-23-15-7-10-19-9-4-5-14-22(19)23/h1-3,6,8,11-13,16,19,22H,4-5,7,9-10,14-15,17H2/p+1/t19-,22-/m1/s1
SMILES: C1=C2C(=O)NC(=O)N(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H12N4O6/c16-2-5-6(17)7(18)10(21-5)15-8-4(1-12-3-13-8)9(19)14-11(15)20/h1,3,5-7,10,16-18H,2H2,(H,14,19,20)/t5-,6-,7-,10-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)C3=CC4=C(C=CC=C4S3)F
InChI: InChI=1S/C18H20FNOS/c19-14-7-3-9-16-13(14)11-17(22-16)18(21)20-10-4-6-12-5-1-2-8-15(12)20/h3,7,9,11-12,15H,1-2,4-6,8,10H2/t12-,15+/m0/s1
SMILES: CC(=O)O[C@@H]([C@H]1COC(=O)[C@@H]1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C23H24O8/c1-13(24)31-22(15-5-7-18(26-2)20(10-15)27-3)17-11-28-23(25)16(17)8-14-4-6-19-21(9-14)30-12-29-19/h4-7,9-10,16-17,22H,8,11-12H2,1-3H3/t16-,17+,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)NCC(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-15(2)13-23-20(27)14-29-22-25-24-21(17-9-11-18(28-4)12-10-17)26(22)19-8-6-5-7-16(19)3/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,23,27)/t16-,19+/m1/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)OC(=O)C(F)(F)F)C)C)C(=O)SCCl
InChI: InChI=1S/C27H30ClF5O6S/c1-5-20(35)39-26(22(37)40-12-28)13(2)8-15-16-10-18(29)17-9-14(34)6-7-23(17,3)25(16,30)19(11-24(15,26)4)38-21(36)27(31,32)33/h6-7,9,13,15-16,18-19H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,23+,24+,25+,26+/m1/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C19H19ClN2O3/c1-10-13(20)3-2-4-14(10)21-15(23)7-8-22-18(24)16-11-5-6-12(9-11)17(16)19(22)25/h2-6,11-12,16-17H,7-9H2,1H3,(H,21,23)/t11-,12+,16+,17-
SMILES: CC(CCC([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CI
InChI: InChI=1S/C27H43IO6/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23?,24+,25+,26+,27?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCC4=CC=CC=C4C3
InChI: InChI=1S/C20H25N3O3/c1-14-6-2-5-9-17(14)23-19(25)18(24)22(20(23)26)13-21-11-10-15-7-3-4-8-16(15)12-21/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3/p+1/t14-,17-/m1/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O)[C@H]1C[C@H]([C@@H]2[C@@]1(CCC3[C@]2(C[C@H](C4[C@@]3(CC[C@@H]([C@@H]4O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)OC)C)O)O)C)O
InChI: InChI=1S/C33H58O10/c1-16(2)19(34)8-7-17(3)18-13-20(35)29-31(18,4)12-10-24-32(5)11-9-23(27(39)25(32)21(36)14-33(24,29)40)43-30-28(41-6)26(38)22(37)15-42-30/h16-30,34-40H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,22-,23+,24?,25?,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)OCC=C)CN4CCCCCCC4
InChI: InChI=1S/C30H40N2O5/c1-3-18-35-30(34)31-26-11-9-10-25(19-26)29-36-27(20-32-16-7-5-4-6-8-17-32)22(2)28(37-29)24-14-12-23(21-33)13-15-24/h3,9-15,19,22,27-29,33H,1,4-8,16-18,20-21H2,2H3,(H,31,34)/t22-,27+,28+,29+/m1/s1
SMILES: C1=CC(=CC(=C1)O)N[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C12H17NO6/c14-5-8-9(16)10(17)11(18)12(19-8)13-6-2-1-3-7(15)4-6/h1-4,8-18H,5H2/t8-,9+,10+,11+,12+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC3=CC(=CC=C3)OC
InChI: InChI=1S/C21H27N3O6/c1-14-6-3-4-9-21(14)19(27)24(20(28)23-21)12-18(26)30-13-17(25)22-11-15-7-5-8-16(10-15)29-2/h5,7-8,10,14H,3-4,6,9,11-13H2,1-2H3,(H,22,25)(H,23,28)/t14-,21+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCSC2=CC(=C(C=C2)F)F
InChI: InChI=1S/C18H23F2NO3S/c1-12-4-2-3-5-16(12)21-17(22)11-24-18(23)8-9-25-13-6-7-14(19)15(20)10-13/h6-7,10,12,16H,2-5,8-9,11H2,1H3,(H,21,22)/t12-,16+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O1)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C42H39NO6/c44-42(49-27-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)43-37-28-48-41(43)40(47-26-31-18-8-3-9-19-31)39(46-25-30-16-6-2-7-17-30)38(37)45-24-29-14-4-1-5-15-29/h1-23,36-41H,24-28H2/t37-,38-,39+,40-,41+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC(=C(C=C4)O)F)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)NC7=CC=CC=C7
InChI: InChI=1S/C34H24BrFN2O5/c35-25-16-28(40)31-24(32(25)41)15-23-21(29(31)17-6-13-27(39)26(36)14-17)11-12-22-30(23)34(43)38(33(22)42)20-9-7-19(8-10-20)37-18-4-2-1-3-5-18/h1-11,13-14,16,22-23,29-30,37,39H,12,15H2/t22-,23+,29-,30-/m0/s1
SMILES: CC1(CCCCCCCCC[C@@H](NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@@H]1NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)N)C
InChI: InChI=1S/C36H61N5O7/c1-33(2,3)27(31(46)48-34(4,5)6)40-32(47)39-26-30(45)41-20-21-23(36(21,9)10)24(41)29(44)38-22(25(42)28(37)43)18-16-14-12-11-13-15-17-19-35(26,7)8/h21-24,26-27H,11-20H2,1-10H3,(H2,37,43)(H,38,44)(H2,39,40,47)/t21-,22+,23-,24-,26-,27+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(F)F)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C34H41F2NO5Si/c1-33(2,3)42-32(39)37-22-28(41-31(38)24-16-10-7-11-17-24)29(30(35)36)27(37)23-40-43(34(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-30H,22-23H2,1-6H3/t27-,28+,29+/m1/s1
SMILES: CC(C)(C)[C@@H](CN(C)S(=O)(=O)C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)CCC24CC4)C(C)(C)C
InChI: InChI=1S/C33H56N6O7S/c1-31(2,3)23(18-38(7)47(8,45)46)36-30(44)37-26(32(4,5)6)29(43)39-17-21-20(12-13-33(21)14-15-33)24(39)28(42)35-22(25(40)27(34)41)16-19-10-9-11-19/h19-24,26H,9-18H2,1-8H3,(H2,34,41)(H,35,42)(H2,36,37,44)/t20-,21-,22?,23+,24-,26+/m0/s1
SMILES: CCCCCCCCCCC/C=C/C(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C
InChI: InChI=1S/C36H57N5O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-23(43)52-21-19-39(2)25(32(48)40(3)24(21)34(49)50)30(55-35-29(47)26(44)20(18-37)53-35)31-27(45)28(46)33(54-31)41-17-16-22(42)38-36(41)51/h14-17,20-21,24-31,33,35,44-47H,4-13,18-19,37H2,1-3H3,(H,49,50)(H,38,42,51)/b15-14+/t20-,21?,24?,25?,26-,27+,28-,29-,30?,31+,33-,35+/m1/s1
SMILES: C[C@@H]1C2=C(C[C@H]3C4=NC5=CC=CC=C5[C@@]14CCN3C)C=CN=C2
InChI: InChI=1S/C20H21N3/c1-13-15-12-21-9-7-14(15)11-18-19-20(13,8-10-23(18)2)16-5-3-4-6-17(16)22-19/h3-7,9,12-13,18H,8,10-11H2,1-2H3/t13-,18+,20-/m1/s1
SMILES: CO[C@@H]1CO[C@H]2[C@H]([C@@H](O[C@@H]2[C@@H]1NC(=O)N)N3C=CC(=NC3=O)N)O
InChI: InChI=1S/C13H19N5O6/c1-22-5-4-23-10-8(19)11(18-3-2-6(14)16-13(18)21)24-9(10)7(5)17-12(15)20/h2-3,5,7-11,19H,4H2,1H3,(H2,14,16,21)(H3,15,17,20)/t5-,7-,8-,9-,10+,11-/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)O)O)O
InChI: InChI=1S/C32H35NO9/c1-39-22-17-13-21(14-18-22)33-25(24(30(33)37)10-6-9-19-7-4-3-5-8-19)20-11-15-23(16-12-20)41-32-28(36)26(34)27(35)29(42-32)31(38)40-2/h3-5,7-8,11-18,24-29,32,34-36H,6,9-10H2,1-2H3/t24-,25-,26+,27+,28-,29+,32-/m1/s1
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C(C5CCC4C1(C([C@]67C2CCC(O6)[C@H](O7)C(C)(C)O)O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
InChI: InChI=1S/C34H54O9/c1-28(2)19-9-10-21-31(6)27(38)34-20(8-7-18(42-34)25(43-34)29(3,4)39)30(31,5)13-14-33(21)16-32(19,33)12-11-22(28)41-26-24(37)23(36)17(35)15-40-26/h17-27,35-39H,7-16H2,1-6H3/t17-,18?,19?,20?,21?,22+,23+,24-,25+,26+,27?,30-,31?,32-,33+,34-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C(C=CN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C#N)C
InChI: InChI=1S/C26H20N4O5/c1-14-6-7-19(15(2)10-14)29-25(32)21-20-11-16(13-27)8-9-28(20)23(22(21)26(29)33)24(31)17-4-3-5-18(12-17)30(34)35/h3-12,20-23H,1-2H3/t20-,21+,22-,23+/m1/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)OCC#CC4=CC(=NO4)C5=NN(N=N5)C)C)C)NC(=O)N2)C
InChI: InChI=1S/C38H56N8O10/c1-12-27-38(8)31(39-36(51)40-38)21(4)28(47)19(2)18-37(7,52-15-13-14-24-17-25(43-56-24)33-41-44-46(11)42-33)32(22(5)29(48)23(6)34(50)54-27)55-35-30(49)26(45(9)10)16-20(3)53-35/h17,19-23,26-27,30-32,35,49H,12,15-16,18H2,1-11H3,(H2,39,40,51)/t19-,20-,21+,22+,23-,26+,27-,30-,31-,32-,35+,37-,38-/m1/s1
SMILES: C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2[C@@](C[C@]5([C@H]4CCC56OCCO6)C)(C#CC7=CC=CC=C7)O)OCCO3
InChI: InChI=1S/C31H38O5/c1-27-14-15-30(33-16-17-34-30)20-23(27)8-9-24-25-11-13-31(35-18-19-36-31)28(25,2)21-29(32,26(24)27)12-10-22-6-4-3-5-7-22/h3-8,24-26,32H,9,11,13-21H2,1-2H3/t24-,25-,26-,27-,28-,29-/m0/s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2C[C@H]1OO[C@@]2(C)C[S@@](=O)C3=CC=CC=C3)C
InChI: InChI=1S/C18H24O5S/c1-13(19)21-17(2)10-9-14-11-16(17)22-23-18(14,3)12-24(20)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3/t14-,16-,17-,18+,24-/m1/s1
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O)C(F)(F)F
InChI: InChI=1S/C27H15ClF3NO5/c28-13-9-11-14(12-10-13)32-24(35)19-20(25(32)36)26(22(33)15-5-1-2-6-16(15)23(26)34)37-21(19)17-7-3-4-8-18(17)27(29,30)31/h1-12,19-21H/t19-,20-,21+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H]([C@H](C[C@@H]3N2CCC4=CC=CC=C34)O)C(=O)O1
InChI: InChI=1S/C16H19NO3/c1-9-15-14(16(19)20-9)13(18)8-12-11-5-3-2-4-10(11)6-7-17(12)15/h2-5,9,12-15,18H,6-8H2,1H3/t9-,12+,13+,14-,15-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O
InChI: InChI=1S/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C(C(=C(C1=C23)O[C@@H]4[C@H]([C@@H]([C@H](CO4)OC(=O)C)O)O)O)C)C=C(C)C)C
InChI: InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)23(29)26(20)34-27-25(31)24(30)19(11-32-27)33-16(6)28/h9,13-14,17-19,24-25,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17-,18+,19-,24+,25-,27+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O
InChI: InChI=1S/C22H20N2O5/c25-19(23-15-5-3-4-14(12-15)22(28)29)13-8-10-16(11-9-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h3-5,8-12,17-18H,1-2,6-7H2,(H,23,25)(H,28,29)/t17-,18-/m1/s1
SMILES: C[C@@]12[C@@H]([C@@H](C3=CC=CC=C3O1)N4C(=O)/C(=C/C5=COC=C5)/SC4=N2)C(=O)OC
InChI: InChI=1S/C20H16N2O5S/c1-20-15(18(24)25-2)16(12-5-3-4-6-13(12)27-20)22-17(23)14(28-19(22)21-20)9-11-7-8-26-10-11/h3-10,15-16H,1-2H3/b14-9-/t15-,16+,20-/m0/s1
SMILES: CCCCCCCCCCCOCCCO[C@H]1[C@@H]2[C@H]([C@H](O1)COC(=O)NS(=O)(=O)N3CCCCCC3)OC(O2)(C)C
InChI: InChI=1S/C29H54N2O9S/c1-4-5-6-7-8-9-10-13-16-20-35-21-17-22-36-27-26-25(39-29(2,3)40-26)24(38-27)23-37-28(32)30-41(33,34)31-18-14-11-12-15-19-31/h24-27H,4-23H2,1-3H3,(H,30,32)/t24-,25+,26+,27-/m1/s1
SMILES: C[N+]1=CC=CC(=C1)[C@@H]2CCCC[N@@+]2(C)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O
InChI: InChI=1S/C29H32N2O/c1-30-19-11-12-23(22-30)28-17-7-9-20-31(28,2)21-10-8-18-29(32)26-15-5-3-13-24(26)25-14-4-6-16-27(25)29/h3-6,11-16,19,22,28,32H,7,9,17-18,20-21H2,1-2H3/q+2/t28-,31-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C19H21NO/c21-19(12-16-11-13-8-9-15(16)10-13)20-18-7-3-5-14-4-1-2-6-17(14)18/h1-7,13,15-16H,8-12H2,(H,20,21)/t13-,15+,16+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCOC(=O)C(=C)C)O)O)O
InChI: InChI=1S/C26H42O7/c1-4-5-8-11-20(27)14-15-22-21(23(28)18-24(22)29)12-9-6-7-10-13-25(30)32-16-17-33-26(31)19(2)3/h6,9,14-15,20-24,27-29H,2,4-5,7-8,10-13,16-18H2,1,3H3/b9-6-,15-14+/t20-,21+,22+,23-,24+/m0/s1
SMILES: CC(C)(C)NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C17H26N2O5/c1-17(2,3)18-13(20)10-24-14(21)8-9-19-15(22)11-6-4-5-7-12(11)16(19)23/h11-12H,4-10H2,1-3H3,(H,18,20)/t11-,12-/m0/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)C(=C)COCC(=O)OC)O)O
InChI: InChI=1S/C24H38O5/c1-6-7-10-24(3,4)22(26)9-8-19-20-12-17(11-18(20)13-21(19)25)16(2)14-29-15-23(27)28-5/h8-9,11,18-22,25-26H,2,6-7,10,12-15H2,1,3-5H3/b9-8+/t18-,19+,20-,21+,22+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)C([C@H]3[C@@H](C2OCC4=CC=CC=C4)OC(O3)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H40O6Si/c1-23(2,3)32(8,9)31-22-20-18(27-24(4,5)29-20)17(19-21(22)30-25(6,7)28-19)26-15-16-13-11-10-12-14-16/h10-14,17-22H,15H2,1-9H3/t17?,18-,19+,20-,21-,22?/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=C(C=CC(=C3)S(=O)(=O)C)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C28H22F9NO5S/c1-14-24(15-8-18(27(32,33)34)11-19(9-15)28(35,36)37)43-25(39)38(14)13-16-10-17(26(29,30)31)4-6-21(16)22-12-20(44(3,40)41)5-7-23(22)42-2/h4-12,14,24H,13H2,1-3H3/t14-,24-/m0/s1
SMILES: CC(C)[C@H](C(=O)OC)NC(=O)[C@@H]1[C@H](CCN1C(=O)C2=CC=CO2)NC(=O)NC3=CC(=CC=C3)SC
InChI: InChI=1S/C24H30N4O6S/c1-14(2)19(23(31)33-3)27-21(29)20-17(10-11-28(20)22(30)18-9-6-12-34-18)26-24(32)25-15-7-5-8-16(13-15)35-4/h5-9,12-14,17,19-20H,10-11H2,1-4H3,(H,27,29)(H2,25,26,32)/t17-,19+,20-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)N=[N+]=N
InChI: InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,11,16H,2,4H2,1H3/p+1/t6-,7-,8-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)CN2C=[N+]([C@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)CC5=C(C=C(C=C5C)C)C)C
InChI: InChI=1S/C35H39N2/c1-24-17-26(3)32(27(4)18-24)21-36-23-37(22-33-28(5)19-25(2)20-29(33)6)35(31-15-11-8-12-16-31)34(36)30-13-9-7-10-14-30/h7-20,23,34-35H,21-22H2,1-6H3/q+1/t34-,35-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OCCCC6=CC=CC=C6
InChI: InChI=1S/C27H29NO4/c1-28-15-14-26-23-19-10-11-21(30-2)24(23)32-25(26)20(29)12-13-27(26,22(28)17-19)31-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,22,25H,6,9,14-17H2,1-2H3/t22-,25+,26+,27-/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1)C[C@H]([C@@H]3[C@@]2(CCC[C@]3(C)/C=N/O)C)O)OC
InChI: InChI=1S/C21H31NO3/c1-13(2)15-9-14-10-17(23)19-20(3,12-22-24)7-6-8-21(19,4)16(14)11-18(15)25-5/h9,11-13,17,19,23-24H,6-8,10H2,1-5H3/b22-12+/t17-,19+,20-,21-/m1/s1
SMILES: CC(=O)O[C@H](C=O)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C18H22O7/c1-11(20)22-13(9-19)14-15(21-10-12-7-5-4-6-8-12)16-17(23-14)25-18(2,3)24-16/h4-9,13-17H,10H2,1-3H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: CCCN(CCC1=CC=C(C=C1)CC2=CC=CC=C2)C(=O)[C@H]3[C@@H]([C@H](C=C(O3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C)NC(=O)C
InChI: InChI=1S/C45H51N3O7/c1-6-27-48(28-26-32-22-24-34(25-23-32)29-33-16-10-7-11-17-33)42(50)41-39(46-31(2)49)37(47-44(52)55-45(3,4)5)30-38(53-41)43(51)54-40(35-18-12-8-13-19-35)36-20-14-9-15-21-36/h7-25,30,37,39-41H,6,26-29H2,1-5H3,(H,46,49)(H,47,52)/t37-,39+,41+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C(O[C@@H]3[C@@H]2OC(=O)N3)C#N
InChI: InChI=1S/C13H10N2O3/c14-7-9-6-10(8-4-2-1-3-5-8)11-12(17-9)15-13(16)18-11/h1-6,10-12H,(H,15,16)/t10-,11+,12+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C=O)C
InChI: InChI=1S/C27H44O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3N(C2=O)C(=CCS3)C(=O)O
InChI: InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)CCC(=O)OC
InChI: InChI=1S/C22H30O4/c1-22-12-14(4-10-20(25)26-2)21-16-7-5-15(23)11-13(16)3-6-17(21)18(22)8-9-19(22)24/h5,7,11,14,17-19,21,23-24H,3-4,6,8-10,12H2,1-2H3/t14-,17-,18-,19-,21+,22-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2CC(=O)NCC4=CC=CC=C4)O)OC
InChI: InChI=1S/C26H34N2O4/c1-31-20-11-12-21(23(16-20)32-2)25-22-10-6-7-13-26(22,30)14-15-28(25)18-24(29)27-17-19-8-4-3-5-9-19/h3-5,8-9,11-12,16,22,25,30H,6-7,10,13-15,17-18H2,1-2H3,(H,27,29)/t22-,25+,26-/m1/s1