EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCOP(=O)(NC(C(C)C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI: InChI=1S/C20H34N3O9P/c1-6-7-8-30-33(28,22-17(12(2)3)19(26)29-5)31-11-15-14(24)9-16(32-15)23-10-13(4)18(25)21-20(23)27/h10,12,14-17,24H,6-9,11H2,1-5H3,(H,22,28)(H,21,25,27)/t14-,15+,16+,17?,33?/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@]23CC[C@@]([C@H]2Br)(C3(C)C)C(Br)Br
InChI: InChI=1S/C19H22Br3NO3/c1-4-26-13(24)11-5-7-12(8-6-11)23-16(25)19-10-9-18(14(19)20,15(21)22)17(19,2)3/h5-8,14-15H,4,9-10H2,1-3H3,(H,23,25)/t14-,18+,19-/m1/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(=S)(OC6=C(C(=C(C(=C6F)F)F)F)F)OP(=O)(OC7=CC=CC=C7)OC8=CC=CC=C8
InChI: InChI=1S/C49H41F5N2O12P2S/c1-30-28-56(48(58)55-47(30)57)40-27-38(39(63-40)29-62-49(31-13-7-4-8-14-31,32-19-23-34(60-2)24-20-32)33-21-25-35(61-3)26-22-33)66-70(71,67-46-44(53)42(51)41(50)43(52)45(46)54)68-69(59,64-36-15-9-5-10-16-36)65-37-17-11-6-12-18-37/h4-26,28,38-40H,27,29H2,1-3H3,(H,55,57,58)/t38-,39+,40+,70?/m0/s1
SMILES: CC(=O)[C@H]1[C@H](C(=C(C[C@]1(C)O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H19NO6/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-5-4-6-12(7-11)18(23)24/h4-7,15-16,21-22H,8H2,1-3H3/t15-,16-,17-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@]45CO[C@H]([C@@H]4O)[C@@H](O5)C6=CC=CC7=CC=CC=C76
InChI: InChI=1S/C37H34O6/c1-39-29-19-15-27(16-20-29)37(26-11-4-3-5-12-26,28-17-21-30(40-2)22-18-28)42-24-36-23-41-34(35(36)38)33(43-36)32-14-8-10-25-9-6-7-13-31(25)32/h3-22,33-35,38H,23-24H2,1-2H3/t33-,34-,35-,36+/m0/s1
SMILES: COC1=CC=C[C@H]([C@](C1)(C#C[Si](C)(C)C)O)C2=CC=CO2
InChI: InChI=1S/C17H22O3Si/c1-19-14-7-5-8-15(16-9-6-11-20-16)17(18,13-14)10-12-21(2,3)4/h5-9,11,15,18H,13H2,1-4H3/t15-,17+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C17H24N4O4/c1-9-13-14(11-7-6-10(24-4)8-12(11)25-5)20(2)17(23)19-15(13)21(3)16(22)18-9/h6-9,13-15H,1-5H3,(H,18,22)(H,19,23)/t9-,13+,14+,15+/m1/s1
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)C)O)NC(=O)COC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C39H50N4O6/c1-24(2)35(42-34(44)23-49-33-20-12-17-27-15-8-10-18-29(27)33)38(47)41-30(21-26-13-6-5-7-14-26)36(45)39(48)43-31-19-11-9-16-28(31)22-32(43)37(46)40-25(3)4/h5-8,10,12-15,17-18,20,24-25,28,30-32,35-36,45H,9,11,16,19,21-23H2,1-4H3,(H,40,46)(H,41,47)(H,42,44)/t28-,30-,31-,32-,35-,36-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC=CC=C8)O)C
InChI: InChI=1S/C43H48N2O4/c1-39-21-18-33(46)26-41(39)24-25-43(34(27-41)37(47)31-14-8-4-9-15-31)35(39)19-22-40(2)36(43)20-23-42(40,49)29-45(28-30-12-6-3-7-13-30)38(48)44-32-16-10-5-11-17-32/h3-17,24-25,27,33,35-36,46,49H,18-23,26,28-29H2,1-2H3,(H,44,48)/t33?,35-,36-,39-,40+,41+,42-,43-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H20BrCl2N3O7/c28-12-31-24(37)26(29)11-19-17(21(27(26,30)25(31)38)13-1-7-16(34)8-2-13)9-10-18-20(19)23(36)32(22(18)35)14-3-5-15(6-4-14)33(39)40/h1-9,18-21,34H,10-12H2/t18-,19+,20-,21-,26+,27-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=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)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H39NO18/c1-11(30)29-27-25(43-17(7)36)23(41-15(5)34)22(19(45-27)9-38-12(2)31)47-28-26(44-18(8)37)24(42-16(6)35)21(40-14(4)33)20(46-28)10-39-13(3)32/h19-28H,9-10H2,1-8H3,(H,29,30)/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=CC=C3O
InChI: InChI=1S/C21H33N3O2/c1-15-7-6-8-18(16(15)2)22-21(26)17(3)23-11-13-24(14-12-23)19-9-4-5-10-20(19)25/h4-5,9-10,15-18,25H,6-8,11-14H2,1-3H3,(H,22,26)/t15-,16-,17-,18-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)[C@@]5(C2=O)[C@H]([C@@H]6C(=O)O[C@H]([C@H](N6[C@H]5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O
InChI: InChI=1S/C53H45N3O9/c1-33(36-12-6-3-7-13-36)54-52(62)55-43-29-22-35(19-18-34-20-25-40(63-2)26-21-34)32-42(43)53(51(55)61)44(49(58)59)46-50(60)65-47(38-16-10-5-11-17-38)45(37-14-8-4-9-15-37)56(46)48(53)39-23-27-41(28-24-39)64-31-30-57/h3-17,20-29,32-33,44-48,57H,30-31H2,1-2H3,(H,54,62)(H,58,59)/t33-,44-,45-,46-,47+,48+,53-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC(=C8)OC(F)(F)F)O)C(=O)N(C7=O)C9=CC=C(C=C9)Br)C
InChI: InChI=1S/C41H31BrClF3N4O6S/c1-18-25-14-20(43)6-13-31(25)57-35(18)29-17-32(48(3)47-29)50-37(53)28-16-26-23(10-11-24-33(26)38(54)49(36(24)52)21-7-4-19(42)5-8-21)34(40(28,2)39(50)55)27-15-22(9-12-30(27)51)56-41(44,45)46/h4-10,12-15,17,24,26,28,33-34,51H,11,16H2,1-3H3/t24-,26+,28-,33-,34+,40+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)COC2=CC(=CC(=C2)C)C)C(C)C
InChI: InChI=1S/C22H32O5/c1-14(2)19-7-6-15(3)11-20(19)27-22(24)13-26-21(23)12-25-18-9-16(4)8-17(5)10-18/h8-10,14-15,19-20H,6-7,11-13H2,1-5H3/t15-,19-,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F
InChI: InChI=1S/C19H22F3NO3/c1-13-5-2-3-8-16(13)23-17(24)12-26-18(25)10-9-14-6-4-7-15(11-14)19(20,21)22/h4,6-7,9-11,13,16H,2-3,5,8,12H2,1H3,(H,23,24)/b10-9+/t13-,16+/m0/s1
SMILES: C/C(=C\[C@@H]1CC(=C)C[C@@H](O1)CCO)/C[C@H]2[C@H](COC(O2)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C23H39NO6/c1-15-10-17(8-9-25)28-18(11-15)12-16(2)13-20-19(14-27-23(6,7)29-20)24-21(26)30-22(3,4)5/h12,17-20,25H,1,8-11,13-14H2,2-7H3,(H,24,26)/b16-12+/t17-,18-,19-,20-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=C2C(=O)N)C(=O)N)O)O
InChI: InChI=1S/C12H16N4O7/c1-2-22-12(21)8-6(17)7(18)11(23-8)16-3-15-4(9(13)19)5(16)10(14)20/h3,6-8,11,17-18H,2H2,1H3,(H2,13,19)(H2,14,20)/t6-,7+,8-,11+/m0/s1
SMILES: C1CN(CCC1SC2=CC=CC=C2)NC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CCl)O)O
InChI: InChI=1S/C21H24Cl2N6O3S/c22-10-14-16(30)17(31)20(32-14)29-11-24-15-18(25-21(23)26-19(15)29)27-28-8-6-13(7-9-28)33-12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,30-31H,6-10H2,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]([C@H](C(=O)O2)C)[C@H]([C@]3([C@@H]1C=CC3=O)C)O
InChI: InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8-,9-,10+,12-,13-,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=CN2C3=CC=CC=C3
InChI: InChI=1S/C18H24N4OS/c1-13-8-6-7-11-16(13)20-17(23)14(2)24-18-21-19-12-22(18)15-9-4-3-5-10-15/h3-5,9-10,12-14,16H,6-8,11H2,1-2H3,(H,20,23)/t13-,14-,16-/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2[C@@H]3[C@H](C(=O)N(C3=O)C)CC(=O)OC
InChI: InChI=1S/C18H27NO4/c1-17(2)10-6-7-18(17,3)12(8-10)14-11(9-13(20)23-5)15(21)19(4)16(14)22/h10-12,14H,6-9H2,1-5H3/t10-,11+,12+,14-,18+/m0/s1
SMILES: CN([C@@H]1CCCC[C@H]1NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C19H23ClN2O2S/c1-22(16-7-3-2-4-8-16)19-10-6-5-9-18(19)21-25(23,24)17-13-11-15(20)12-14-17/h2-4,7-8,11-14,18-19,21H,5-6,9-10H2,1H3/t18-,19-/m1/s1
SMILES: CCC(CC)(C#C[C@H]([C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O)O
InChI: InChI=1S/C29H44O4/c1-6-29(33,7-2)16-14-26(31)20(4)24-12-13-25-21(9-8-15-28(24,25)5)10-11-22-17-23(30)18-27(32)19(22)3/h10-11,20,23-27,30-33H,3,6-9,12-13,15,17-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26+,27-,28+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3
InChI: InChI=1S/C19H26N2OS2/c1-15-6-2-3-9-18(15)20-19(22)14-21(12-16-7-4-10-23-16)13-17-8-5-11-24-17/h4-5,7-8,10-11,15,18H,2-3,6,9,12-14H2,1H3,(H,20,22)/p+1/t15-,18+/m0/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)N6CCCC6C(=O)O)C)C)(C)C)O
InChI: InChI=1S/C35H55NO4/c1-30(2)16-18-35(29(40)36-20-8-9-24(36)28(38)39)19-17-33(6)22(23(35)21-30)10-11-26-32(5)14-13-27(37)31(3,4)25(32)12-15-34(26,33)7/h10,23-27,37H,8-9,11-21H2,1-7H3,(H,38,39)/t23-,24?,25?,26+,27-,32-,33+,34+,35-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)C6=CC=CC=C6C5=O)CN(C)CCC7=CC=CC=N7
InChI: InChI=1S/C42H41N3O5/c1-28-38(26-44(2)24-22-34-10-7-8-23-43-34)49-42(50-39(28)31-16-14-29(27-46)15-17-31)32-20-18-30(19-21-32)35-11-4-3-9-33(35)25-45-40(47)36-12-5-6-13-37(36)41(45)48/h3-21,23,28,38-39,42,46H,22,24-27H2,1-2H3/t28-,38+,39+,42+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C19H19N5O7/c1-10-8-24(19(28)21-16(10)26)17-15(30-11(2)25)14(22-23-20)13(31-17)9-29-18(27)12-6-4-3-5-7-12/h3-8,13-15,17H,9H2,1-2H3,(H,21,26,28)/t13-,14-,15-,17-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)CN3N=C(N=N3)C4=CC=CC=C4Br
InChI: InChI=1S/C18H22BrN5O/c19-15-9-3-2-8-14(15)18-20-22-24(21-18)12-17(25)23-11-5-7-13-6-1-4-10-16(13)23/h2-3,8-9,13,16H,1,4-7,10-12H2/t13-,16-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=O
InChI: InChI=1S/C16H20N2O5/c1-11-4-2-3-5-14(11)17-16(20)10-23-15-7-6-13(18(21)22)8-12(15)9-19/h6-9,11,14H,2-5,10H2,1H3,(H,17,20)/t11-,14+/m0/s1
SMILES: CC(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)N(C)C)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)NC2=O
InChI: InChI=1S/C24H28ClN3O2/c1-14(2)12-19-24(17-11-10-16(25)13-18(17)26-23(24)30)20(15-8-6-5-7-9-15)21(27-19)22(29)28(3)4/h5-11,13-14,19-21,27H,12H2,1-4H3,(H,26,30)/t19-,20+,21-,24+/m1/s1
SMILES: CC(=O)OC/C=C\1/[C@@H](OC=C(C1CC(=O)OC)C(=O)OC)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)O)O)O
InChI: InChI=1S/C22H30O14/c1-10(23)32-6-5-12-13(7-16(25)30-3)14(20(29)31-4)8-34-21(12)36-22-19(28)18(27)17(26)15(35-22)9-33-11(2)24/h5,8,13,15,17-19,21-22,26-28H,6-7,9H2,1-4H3/b12-5+/t13?,15-,17+,18+,19-,21+,22+/m1/s1
SMILES: C[C@@]1(CCC[C@]2([C@@H]1CCC(=C)[C@@H]2CCC3=COC=C3)C)CO
InChI: InChI=1S/C20H30O2/c1-15-5-8-18-19(2,14-21)10-4-11-20(18,3)17(15)7-6-16-9-12-22-13-16/h9,12-13,17-18,21H,1,4-8,10-11,14H2,2-3H3/t17-,18+,19+,20+/m0/s1
SMILES: CC1(CCCCC1=O)[C@H]2[C@H]3CS[C@H](N3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H28N2O2S/c1-25(15-9-8-14-21(25)28)22-20-17-30-23(19-12-6-3-7-13-19)27(20)24(29)26(22)16-18-10-4-2-5-11-18/h2-7,10-13,20,22-23H,8-9,14-17H2,1H3/t20-,22-,23+,25?/m1/s1
SMILES: C1=COC(=C1)[C@@H]2[C@H]3[C@@H](C(=O)NC3=O)SC4=C2SC(=O)N4
InChI: InChI=1S/C12H8N2O4S2/c15-9-6-5(4-2-1-3-18-4)8-11(14-12(17)20-8)19-7(6)10(16)13-9/h1-3,5-7H,(H,14,17)(H,13,15,16)/t5-,6+,7+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@@H]34
InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14-,15+,16+,17+,18-/m1/s1
SMILES: C1CCC(CC1)C2=CC3=C(S2)CN[C@H]4[C@@H]3C5=CC(=C(C=C5CC4)O)O
InChI: InChI=1S/C21H25NO2S/c23-17-8-13-6-7-16-21(14(13)9-18(17)24)15-10-19(25-20(15)11-22-16)12-4-2-1-3-5-12/h8-10,12,16,21-24H,1-7,11H2/t16-,21-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O
InChI: InChI=1S/C42H41NO8/c1-2-51-33-18-12-17-29(39(33)48)37-27-20-21-28-36(41(50)43(40(28)49)22-11-5-10-19-35(45)46)31(27)23-32-38(47)30(25-13-6-3-7-14-25)24-34(44)42(32,37)26-15-8-4-9-16-26/h3-4,6-9,12-18,20,24,28,31-32,36-37,48H,2,5,10-11,19,21-23H2,1H3,(H,45,46)/t28-,31+,32-,36-,37+,42-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=CN4C)C)[C@H](C)C(=O)N5CC[NH+](CC5)C)O
InChI: InChI=1S/C27H39N5O3S/c1-16(25(35)32-13-11-30(4)12-14-32)18-8-9-27(3)15-20-22(17(2)21(27)23(18)33)28-26(36-20)29-24(34)19-7-6-10-31(19)5/h6-7,10,16-18,21,23,33H,8-9,11-15H2,1-5H3,(H,28,29,34)/p+1/t16-,17-,18-,21+,23-,27-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@]2(C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F)CC(=O)Cl)C(C)C
InChI: InChI=1S/C29H29BrClF2NO5/c1-15(2)20-8-4-16(3)10-24(20)39-28(38)29(13-25(31)35)22-12-19(32)7-9-21(22)26(36)34(27(29)37)14-17-5-6-18(30)11-23(17)33/h5-7,9,11-12,15-16,20,24H,4,8,10,13-14H2,1-3H3/t16-,20+,24-,29-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=S)(O)P(=O)(O)P(=O)(O)O)O)O
InChI: InChI=1S/C9H16N3O11P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(21,27)25(19,20)24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,27)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-,26?/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C47H60N2O8S/c1-7-27-54-47-42(49(5)45(52)53-31-32-15-9-8-10-16-32)30-40(48-57-46(2,3)4)38-28-33(17-11-13-25-50)37(18-12-14-26-51)43(44(38)47)39-29-35(21-24-41(39)56-47)55-34-19-22-36(58-6)23-20-34/h7-10,15-16,19-24,28-29,33,37,42-44,50-51H,1,11-14,17-18,25-27,30-31H2,2-6H3/t33-,37+,42-,43+,44+,47+/m0/s1
SMILES: C[C@]12CCCC[C@]13[C@H]4C=C/C(=C\C5=CC=C(C=C5)Cl)/[C@H]4[C@H](C2=O)O3
InChI: InChI=1S/C21H21ClO2/c1-20-10-2-3-11-21(20)16-9-6-14(17(16)18(24-21)19(20)23)12-13-4-7-15(22)8-5-13/h4-9,12,16-18H,2-3,10-11H2,1H3/b14-12+/t16-,17+,18+,20+,21-/m0/s1
SMILES: CCOC(C#CC1=CC2=C(C=C1)NC(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O)OCC
InChI: InChI=1S/C42H40N2O9/c1-3-50-33(51-4-2)22-16-26-15-21-32-31(25-26)42(41(49)43-32)34(39(46)47)36-40(48)53-37(28-13-9-6-10-14-28)35(27-11-7-5-8-12-27)44(36)38(42)29-17-19-30(20-18-29)52-24-23-45/h5-15,17-21,25,33-38,45H,3-4,23-24H2,1-2H3,(H,43,49)(H,46,47)/t34-,35-,36-,37+,38+,42-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)OC)O)SC(=O)C2=C(C(=C(C(=C2OC)OC)OCC3=CC=CC=C3)I)C
InChI: InChI=1S/C24H29IO7S/c1-13-18(24(27)33-23-14(2)32-17(28-3)11-16(23)26)20(29-4)22(30-5)21(19(13)25)31-12-15-9-7-6-8-10-15/h6-10,14,16-17,23,26H,11-12H2,1-5H3/t14-,16+,17+,23-/m1/s1
SMILES: CCN1[C@H]2[C@H](N(C1=O)CC)OC(O2)C3O[C@@H]4[C@@H](O3)N(C(=O)N4CC)CC
InChI: InChI=1S/C16H26N4O6/c1-5-17-9-10(18(6-2)15(17)21)24-13(23-9)14-25-11-12(26-14)20(8-4)16(22)19(11)7-3/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-/m1/s1
SMILES: CCOC1=C([C@@]2(C=CC1=O)[C@@H](C[C@@]3([C@H]([C@@H]2C=C)O[C@@H](O3)C4=CC=CC=C4)CO)C)CC=C
InChI: InChI=1S/C27H32O5/c1-5-11-21-23(30-7-3)22(29)14-15-27(21)18(4)16-26(17-28)24(20(27)6-2)31-25(32-26)19-12-9-8-10-13-19/h5-6,8-10,12-15,18,20,24-25,28H,1-2,7,11,16-17H2,3-4H3/t18-,20+,24+,25+,26+,27+/m1/s1
SMILES: C[C@]12[C@@H]3C[C@@H]([C@@]4([C@]15CCN([C@@H]4CC6=C5C(=C(C=C6)O)O2)C)C=C3Cl)C(C)(C)O
InChI: InChI=1S/C23H28ClNO3/c1-20(2,27)16-10-13-14(24)11-22(16)17-9-12-5-6-15(26)19-18(12)23(22,7-8-25(17)4)21(13,3)28-19/h5-6,11,13,16-17,26-27H,7-10H2,1-4H3/t13-,16-,17-,21+,22+,23+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]([C@H]2[C@@H](OC(O2)(C)C)COCCCCCO)OCOC)C
InChI: InChI=1S/C19H36O8/c1-18(2)24-12-15(25-18)16(23-13-21-5)17-14(26-19(3,4)27-17)11-22-10-8-6-7-9-20/h14-17,20H,6-13H2,1-5H3/t14-,15+,16-,17+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCC(=C)[C@H]3C(=O)O)C)(C)C
InChI: InChI=1S/C20H32O2/c1-13-7-8-15-19(4)11-6-10-18(2,3)14(19)9-12-20(15,5)16(13)17(21)22/h14-16H,1,6-12H2,2-5H3,(H,21,22)/t14-,15+,16-,19-,20+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@]4([C@H]2CC5=C(O4)C=CC(=C5)OC)C)(CCCC3(C)C)C=O
InChI: InChI=1S/C27H38O3/c1-24(2)11-6-12-27(17-28)21(24)9-13-25(3)22(27)10-14-26(4)23(25)16-18-15-19(29-5)7-8-20(18)30-26/h7-8,15,17,21-23H,6,9-14,16H2,1-5H3/t21-,22-,23-,25+,26-,27+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)CSC3=NN=C(N3N)C4=CC=CO4
InChI: InChI=1S/C17H23N5O2S/c18-22-16(14-6-3-9-24-14)19-20-17(22)25-11-15(23)21-8-7-12-4-1-2-5-13(12)10-21/h3,6,9,12-13H,1-2,4-5,7-8,10-11,18H2/t12-,13-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)OC(F)F
InChI: InChI=1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H/t19-,20+,21-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=CC(=C9)C(=O)O)O
InChI: InChI=1S/C42H35ClN4O7S/c1-19-7-5-10-26(35(19)48)34-24-12-13-25-33(39(51)46(37(25)49)23-9-6-8-21(15-23)40(52)53)28(24)17-29-38(50)47(41(54)42(29,34)3)32-18-30(44-45(32)4)36-20(2)27-16-22(43)11-14-31(27)55-36/h5-12,14-16,18,25,28-29,33-34,48H,13,17H2,1-4H3,(H,52,53)/t25-,28+,29-,33-,34+,42+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H](O[C@H]([C@H]2OS(=O)(=O)C)C3OCCO3)COS(=O)(=O)C
InChI: InChI=1S/C17H24O12S3/c1-11-4-6-12(7-5-11)32(22,23)29-14-13(10-26-30(2,18)19)27-16(17-24-8-9-25-17)15(14)28-31(3,20)21/h4-7,13-17H,8-10H2,1-3H3/t13-,14+,15-,16+/m0/s1
SMILES: C=CCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C44H57FN2O9/c1-3-5-24-53-43(51)47(29-30-15-17-32(45)18-16-30)39-28-37(46-56-40-14-8-11-25-52-40)35-26-31(12-6-9-21-48)34(13-7-10-22-49)41-36-27-33(50)19-20-38(36)55-44(39,42(35)41)54-23-4-2/h3-4,15-20,26-27,31,34,39-42,48-50H,1-2,5-14,21-25,28-29H2/t31-,34+,39-,40?,41+,42+,44+/m0/s1
SMILES: C1CCC(CC1)NC(=O)[C@H]2[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5=CN=CC=C5)C(=O)NC6=CC=CC=C6F
InChI: InChI=1S/C27H27FN4O4/c28-18-10-4-5-11-19(18)31-24(33)21-20-12-13-27(36-20)22(21)26(35)32(17-9-6-14-29-15-17)23(27)25(34)30-16-7-2-1-3-8-16/h4-6,9-16,20-23H,1-3,7-8H2,(H,30,34)(H,31,33)/t20-,21-,22-,23+,27+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-]
InChI: InChI=1S/C55H59N3O10/c1-59-55-53(52(65-37-45-30-18-7-19-31-45)50(63-35-43-26-14-5-15-27-43)47(67-55)39-61-33-41-22-10-3-11-23-41)68-54-48(57-58-56)51(64-36-44-28-16-6-17-29-44)49(62-34-42-24-12-4-13-25-42)46(66-54)38-60-32-40-20-8-2-9-21-40/h2-31,46-55H,32-39H2,1H3/t46-,47-,48-,49-,50-,51-,52+,53-,54+,55-/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C=C6)O)F)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C38H32Cl2F4N4O5/c39-21-9-7-19(8-10-21)37-26(34(51)48(36(37)53)46-32-27(40)15-20(17-45-32)38(42,43)44)16-25-23(31(37)18-6-13-29(49)28(41)14-18)11-12-24-30(25)35(52)47(33(24)50)22-4-2-1-3-5-22/h6-11,13-15,17,22,24-26,30-31,49H,1-5,12,16H2,(H,45,46)/t24-,25+,26-,30-,31-,37+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H35FO5/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33+,34?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)[C@@H]2[C@H](ON=C2S(=O)(=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC
InChI: InChI=1S/C31H39NO8SSi/c1-31(2,3)42(8,9)40-24-17-20(15-16-23(24)35-4)27-28(21-18-25(36-5)29(38-7)26(19-21)37-6)39-32-30(27)41(33,34)22-13-11-10-12-14-22/h10-19,27-28H,1-9H3/t27-,28-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)OC[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)O)O)O)O)N
InChI: InChI=1S/C15H21NO7/c16-9(6-8-4-2-1-3-5-8)14(20)22-7-10-11(17)12(18)13(19)15(21)23-10/h1-5,9-13,15,17-19,21H,6-7,16H2/t9-,10-,11-,12-,13+,15-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C20H26N2O4S2/c1-12-6-5-9-16(13(12)2)22-19(24)14-7-3-4-8-15(14)21-20(22)27-18-11-28(25,26)10-17(18)23/h3-4,7-8,12-13,16-18,23H,5-6,9-11H2,1-2H3/t12-,13-,16+,17+,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1CC(O[C@@H]1CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C18H40O4Si2/c1-17(2,3)23(7,8)20-12-14-11-16(19)22-15(14)13-21-24(9,10)18(4,5)6/h14-16,19H,11-13H2,1-10H3/t14-,15-,16?/m1/s1
SMILES: C[C@H]1CCCN(CC[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C32H44N2O6S/c1-20-11-10-15-34(31(39)24-12-8-7-9-13-24)16-14-26(21(2)17-25-19-41-23(4)33-25)40-28(36)18-27(35)32(5,6)30(38)22(3)29(20)37/h7-9,12-13,17,19-20,22,26-27,29,35,37H,10-11,14-16,18H2,1-6H3/b21-17+/t20-,22+,26-,27-,29-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)[C@H](CC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H23ClN2O3/c25-17-7-4-8-18(13-17)26-22(28)19(11-14-5-2-1-3-6-14)27-23(29)20-15-9-10-16(12-15)21(20)24(27)30/h1-8,13,15-16,19-21H,9-12H2,(H,26,28)/t15-,16+,19-,20-,21+/m1/s1
SMILES: CCCC(=O)O[C@H]1C(CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)C
InChI: InChI=1S/C36H61N2O4/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3/h26-32,34H,6-24H2,1-5H3/q+1/t26-,27?,28?,29?,30?,31?,32-,34-,35-,36-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20?,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
SMILES: CCOC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H20N2O7/c1-2-24-16(23)17-12(19)9-25-13(20)7-8-18-14(21)10-5-3-4-6-11(10)15(18)22/h3-4,10-11H,2,5-9H2,1H3,(H,17,19,23)/t10-,11-/m0/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]2C5=CC(=CC=C5)O)C
InChI: InChI=1S/C23H23N3O5/c1-12-9-18(28)23(2)16(20(12)29)11-17-15(19(23)13-5-4-6-14(27)10-13)7-8-25-21(30)24(3)22(31)26(17)25/h4-7,9-10,16-17,19,27H,8,11H2,1-3H3/t16-,17+,19-,23-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]23[C@@H]4[C@H](C(=O)N(C4=O)C5=CC=CC=C5Cl)[C@@](O2)(C(=O)C6=CC=CC=C36)C7=CC=CC=C7
InChI: InChI=1S/C31H20ClNO4/c32-23-17-9-10-18-24(23)33-28(35)25-26(29(33)36)31(20-13-5-2-6-14-20)27(34)21-15-7-8-16-22(21)30(25,37-31)19-11-3-1-4-12-19/h1-18,25-26H/t25-,26-,30-,31-/m1/s1
SMILES: CCS[C@@H]1[C@H]([C@@H]2[C@@H]([C@H](O1)COC(C)C)O[C@]3(CCCC[C@@]3(O2)OC)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C26H40O7S/c1-6-34-24-23(30-16-19-12-8-7-9-13-19)22-21(20(31-24)17-29-18(2)3)32-25(27-4)14-10-11-15-26(25,28-5)33-22/h7-9,12-13,18,20-24H,6,10-11,14-17H2,1-5H3/t20-,21-,22+,23+,24-,25+,26+/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5Br)Br)O)OC)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C26H19Br2Cl2FN4O6/c1-32-23(39)33-8-7-13-15(35(33)24(32)40)10-25(29)21(37)34(12-5-3-11(31)4-6-12)22(38)26(25,30)17(13)14-9-16(41-2)20(36)19(28)18(14)27/h3-7,9,15,17,36H,8,10H2,1-2H3/t15-,17-,25-,26+/m1/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-]
InChI: InChI=1S/C16H17Cl2NO3/c17-11-6-5-10(14(18)9-11)7-8-19-15(20)12-3-1-2-4-13(12)16(21)22/h1-2,5-6,9,12-13H,3-4,7-8H2,(H,19,20)(H,21,22)/p-1/t12-,13+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N)CCC5=C(C(=O)C=C[C@]35C)Cl
InChI: InChI=1S/C27H32ClNO5S/c1-25-13-12-22(30)23(28)21(25)9-8-18-19(25)10-14-26(2)20(18)11-15-27(26,3)34-24(31)16-4-6-17(7-5-16)35(29,32)33/h4-7,12-13,18-20H,8-11,14-15H2,1-3H3,(H2,29,32,33)/t18?,19?,20?,25-,26+,27+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@H](C2=CC(=O)C(=C(C)C)C[C@@]2([C@H]1C)C)O
InChI: InChI=1S/C20H28O4/c1-7-12(4)19(23)24-18-9-17(22)15-8-16(21)14(11(2)3)10-20(15,6)13(18)5/h7-8,13,17-18,22H,9-10H2,1-6H3/b12-7-/t13-,17+,18-,20+/m0/s1
SMILES: COC1=CC=CC=C1CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(=O)C5CCC5
InChI: InChI=1S/C31H38N2O8/c1-39-24-9-4-3-6-19(24)10-12-33(31(38)20-7-5-8-20)23-16-22(30(37)32-11-13-34)26-21-14-18(17-35)15-25(40-2)28(21)41-29(26)27(23)36/h3-4,6,9,14-16,20,23,26-27,29,34-36H,5,7-8,10-13,17H2,1-2H3,(H,32,37)/t23-,26+,27+,29+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CCCOC2=CC=C(C=C2)OC
InChI: InChI=1S/C20H31N3O3S/c1-14-6-4-7-18(15(14)2)21-20(27)23-22-19(24)8-5-13-26-17-11-9-16(25-3)10-12-17/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,22,24)(H2,21,23,27)/t14-,15-,18-/m1/s1
SMILES: CC(C)COC(=O)N[C@H]1[C@H]2[C@@H](CC=C(N2C1=O)C#N)OC(=O)C
InChI: InChI=1S/C15H19N3O5/c1-8(2)7-22-15(21)17-12-13-11(23-9(3)19)5-4-10(6-16)18(13)14(12)20/h4,8,11-13H,5,7H2,1-3H3,(H,17,21)/t11-,12+,13-/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(=C5F)F)F)F)F)O.[Br-]
InChI: InChI=1S/C27H26F5N2O2.BrH/c1-3-14-12-34(13-19-22(28)24(30)26(32)25(31)23(19)29)9-7-15(14)10-21(34)27(35)17-6-8-33-20-5-4-16(36-2)11-18(17)20;/h3-6,8,11,14-15,21,27,35H,1,7,9-10,12-13H2,2H3;1H/q+1;/p-1/t14-,15-,21+,27-,34-;/m0./s1
SMILES: CC(=C1CC[C@]2([C@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)OC)C)C)C)C)C
InChI: InChI=1S/C31H46O3/c1-19(2)20-9-11-29(5)21(20)10-12-31(7)25(29)24(32)17-22-23-18-28(4,26(33)34-8)14-13-27(23,3)15-16-30(22,31)6/h17,21,23,25H,9-16,18H2,1-8H3/t21-,23-,25+,27+,28-,29-,30+,31+/m0/s1