EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3CCC(CC3)O
InChI: InChI=1S/C17H26N2O4/c20-12-7-5-11(6-8-12)18-15(21)9-10-19-16(22)13-3-1-2-4-14(13)17(19)23/h11-14,20H,1-10H2,(H,18,21)/t11?,12?,13-,14+
SMILES: C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2CC3=CC4=C(C=C3)NN=C4N)CC5=CC6=C(C=C5)NN=C6N)CC7=CC=CC=C7)O
InChI: InChI=1S/C35H36N8O2/c36-33-26-17-24(11-14-28(26)38-40-33)20-42-30(16-13-22-7-3-1-4-8-22)32(44)31(19-23-9-5-2-6-10-23)43(35(42)45)21-25-12-15-29-27(18-25)34(37)41-39-29/h1-12,14-15,17-18,30-32,44H,13,16,19-21H2,(H3,36,38,40)(H3,37,39,41)/t30-,31-,32-/m1/s1
SMILES: C[C@]12C=C[C@](O1)([C@H]3[C@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)C
InChI: InChI=1S/C17H13ClF3NO3/c1-15-5-6-16(2,25-15)12-11(15)13(23)22(14(12)24)10-7-8(17(19,20)21)3-4-9(10)18/h3-7,11-12H,1-2H3/t11-,12-,15-,16+/m0/s1
SMILES: C[C@@]1(C=CC[C@H]2[C@]1([C@H]([C@@H]([C@]([C@]2(C)/C=C/C3=CC(=O)OC3)(C)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C)O
InChI: InChI=1S/C33H35NO8/c1-30(16-14-21-18-25(35)40-20-21)24-13-8-15-31(2,38)32(24,3)26(41-29(37)23-12-9-17-34-19-23)27(33(30,4)39)42-28(36)22-10-6-5-7-11-22/h5-12,14-19,24,26-27,38-39H,13,20H2,1-4H3/b16-14+/t24-,26+,27+,30-,31+,32+,33+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=C(OC=C4)C
InChI: InChI=1S/C21H26N4O3S/c1-14-6-3-4-8-18(14)22-19(26)13-29-21-24-23-20(17-9-11-27-15(17)2)25(21)12-16-7-5-10-28-16/h5,7,9-11,14,18H,3-4,6,8,12-13H2,1-2H3,(H,22,26)/t14-,18+/m0/s1
SMILES: COC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=CC(=C8)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H57N3O11/c1-3-28-65-54-50(56(53(61)64-2)33-40-16-11-15-38-13-4-5-18-44(38)40)32-48(55-66-35-36-20-22-41(23-21-36)57(62)63)46-30-39(14-6-8-26-58)45(19-7-9-27-59)51(52(46)54)47-31-43(24-25-49(47)68-54)67-42-17-10-12-37(29-42)34-60/h3-5,10-13,15-18,20-25,29-31,34,39,45,50-52,58-59H,1,6-9,14,19,26-28,32-33,35H2,2H3/t39-,45+,50-,51+,52+,54+/m0/s1
SMILES: CC[C@@H](C[C@@H]1CC(=C2[C@@]3([C@H]1NCC3)C4=CC=CC=C4N2)C(=O)OC)COC(=O)C5=CC=CC=C5
InChI: InChI=1S/C28H32N2O4/c1-3-18(17-34-26(31)19-9-5-4-6-10-19)15-20-16-21(27(32)33-2)25-28(13-14-29-24(20)28)22-11-7-8-12-23(22)30-25/h4-12,18,20,24,29-30H,3,13-17H2,1-2H3/t18-,20+,24-,28+/m0/s1
SMILES: CC1=CC(=NC(=C1)NC(=O)C[C@H]2CCC3[C@@]2(CCC4C3CCC5[C@@]4(C=CC(=O)N5C)C)C)C
InChI: InChI=1S/C28H39N3O2/c1-17-14-18(2)29-24(15-17)30-25(32)16-19-6-8-21-20-7-9-23-28(4,13-11-26(33)31(23)5)22(20)10-12-27(19,21)3/h11,13-15,19-23H,6-10,12,16H2,1-5H3,(H,29,30,32)/t19-,20?,21?,22?,23?,27-,28-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C=O)[N+](=O)[O-]
InChI: InChI=1S/C26H18N2O5/c1-14-10-11-15(12-20(14)28(32)33)27-24(30)22-21-16-6-2-4-8-18(16)26(13-29,23(22)25(27)31)19-9-5-3-7-17(19)21/h2-13,21-23H,1H3/t21?,22-,23-,26?/m1/s1
SMILES: CC1=CC2=C(C(=C1)OC)C(=O)[C@]3(C(=O)CC[C@@H]([C@@]3(O2)C)OCOCCOC)O
InChI: InChI=1S/C20H26O8/c1-12-9-13(25-4)17-14(10-12)28-19(2)16(27-11-26-8-7-24-3)6-5-15(21)20(19,23)18(17)22/h9-10,16,23H,5-8,11H2,1-4H3/t16-,19-,20-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)CC[C@@H]([C@@]4(C)CO)N(C)C(=O)[C@H](C(C)C)O)C)C)N(C)C
InChI: InChI=1S/C32H54N2O3/c1-20(2)28(36)29(37)34(9)27-13-10-22-18-23-14-16-31(5)24(21(3)33(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,10-13,15-17,19H2,1-9H3/t21-,24+,25+,26+,27-,28-,30-,31+,32-/m0/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)C(=O)OC)C5=C(C=CC(=C5)OC(F)(F)F)O
InChI: InChI=1S/C26H20F3NO8/c1-10-7-18(32)16-9-14-12(4-5-13-20(14)24(35)30(23(13)34)25(36)37-2)19(21(16)22(10)33)15-8-11(3-6-17(15)31)38-26(27,28)29/h3-4,6-8,13-14,19-20,31H,5,9H2,1-2H3/t13-,14+,19+,20-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H19ClN2O3/c1-15-7-9-16(10-8-15)21-20-22(30-27(21)19-5-3-2-4-6-19)24(29)26(23(20)28)18-13-11-17(25)12-14-18/h2-14,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H78N2O9/c1-4-7-8-9-10-11-12-13-17-26-50(59)55(29-35-60-36-32-58)49-39-47(54-63-40-41-22-15-14-16-23-41)45-37-42(24-18-20-30-56)44(25-19-21-31-57)51-46-38-43(61-33-5-2)27-28-48(46)64-53(49,52(45)51)62-34-6-3/h5-6,14-16,22-23,27-28,37-38,42,44,49,51-52,56-58H,2-4,7-13,17-21,24-26,29-36,39-40H2,1H3/t42-,44+,49-,51+,52+,53+/m0/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7CCN(CC7)CC8=CC=CC=C8
InChI: InChI=1S/C39H36Cl2FN3O6/c1-51-30-9-5-8-28(33(30)46)32-26-14-15-27-31(35(48)44(34(27)47)25-16-18-43(19-17-25)21-22-6-3-2-4-7-22)29(26)20-38(40)36(49)45(37(50)39(32,38)41)24-12-10-23(42)11-13-24/h2-14,25,27,29,31-32,46H,15-21H2,1H3/t27-,29+,31-,32+,38+,39-/m0/s1
SMILES: CC1=C[C@H]([C@H](C[C@@H]1O[C@@H]2[C@@H]3[C@H]([C@H](C=C2C)OC)C(=O)N(C3=O)C)C(=O)OC)OC
InChI: InChI=1S/C21H29NO7/c1-10-7-14(26-4)12(21(25)28-6)9-13(10)29-18-11(2)8-15(27-5)16-17(18)20(24)22(3)19(16)23/h7-8,12-18H,9H2,1-6H3/t12-,13-,14+,15-,16-,17-,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)ONC(=S)N2C(C3CCC4=CC=CC=C4C3=N2)C5=CC=CS5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H33N3O10S2/c1-15(34)38-14-22-26(39-16(2)35)27(40-17(3)36)28(41-18(4)37)29(42-22)43-32-30(44)33-25(23-10-7-13-45-23)21-12-11-19-8-5-6-9-20(19)24(21)31-33/h5-10,13,21-22,25-29H,11-12,14H2,1-4H3,(H,32,44)/t21?,22-,25?,26-,27+,28-,29+/m1/s1
SMILES: C1[C@@H]([C@H](CO[C@H]1C(C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=CC=C4)O
InChI: InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m0/s1
SMILES: CCOC1CCC(C1)OC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CC#N)O)O)O)Cl
InChI: InChI=1S/C20H26ClNO6/c1-2-26-12-4-5-13(10-12)27-16-9-11(3-6-14(16)21)20-19(25)18(24)17(23)15(28-20)7-8-22/h3,6,9,12-13,15,17-20,23-25H,2,4-5,7,10H2,1H3/t12?,13?,15-,17-,18+,19-,20+/m1/s1
SMILES: CCC(CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)C5=CC=CC=C5
InChI: InChI=1S/C26H33NO/c1-2-19(20-8-4-3-5-9-20)18-27-15-14-26-13-7-6-10-23(26)25(27)16-21-11-12-22(28)17-24(21)26/h3-5,8-9,11-12,17,19,23,25,28H,2,6-7,10,13-16,18H2,1H3/t19?,23-,25+,26+/m0/s1
SMILES: C1=CC(=CC=C1[C@H]2[C@@H](C3=C(C=C(C=C3O)O)C=C2C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
InChI: InChI=1S/C28H22O6/c29-19-5-1-15(2-6-19)24-12-18-11-23(33)14-25(34)27(18)28(17-9-21(31)13-22(32)10-17)26(24)16-3-7-20(30)8-4-16/h1-14,26,28-34H/t26-,28+/m1/s1
SMILES: CN(CCCl)CC1=C(C(=CC(=C1)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)OC)OC)OC)O
InChI: InChI=1S/C25H32ClNO6/c1-27(8-7-26)14-18-10-17(13-23(32-4)24(18)28)11-20-19(15-33-25(20)29)9-16-5-6-21(30-2)22(12-16)31-3/h5-6,10,12-13,19-20,28H,7-9,11,14-15H2,1-4H3/t19-,20+/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC5=CC=CC=C5N4)C(=O)C6CC6)C(=O)NCCO)C=O
InChI: InChI=1S/C31H33N3O7/c1-40-25-13-17(16-36)12-21-26-22(30(38)32-9-11-35)15-24(27(37)29(26)41-28(21)25)34(31(39)18-6-7-18)10-8-20-14-19-4-2-3-5-23(19)33-20/h2-5,12-16,18,24,26-27,29,33,35,37H,6-11H2,1H3,(H,32,38)/t24-,26+,27+,29+/m1/s1
SMILES: C[C@]12C[C@H]([C@](O[C@@H]1C[C@@H]([C@@](O2)(C)CO)O[Si](C)(C)C(C)(C)C)(C)CCOCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C34H52O6Si/c1-31(2,3)41(7,8)39-29-21-28-33(5,40-34(29,6)25-35)22-30(37-24-27-17-13-10-14-18-27)32(4,38-28)19-20-36-23-26-15-11-9-12-16-26/h9-18,28-30,35H,19-25H2,1-8H3/t28-,29+,30-,32+,33+,34-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H](OC(O1)(C)C)C(=O)C
InChI: InChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-15-16(14(7)18)21-17(8,9)20-15/h11-13,15-16H,10H2,1-9H3/t15-,16-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3C)(CO)C(=O)OC
InChI: InChI=1S/C18H22N2O5/c1-4-20-15(22)12-13(16(20)23)18(9-21,17(24)25-3)19-14(12)11-8-6-5-7-10(11)2/h5-8,12-14,19,21H,4,9H2,1-3H3/p+1/t12-,13-,14-,18+/m0/s1
SMILES: C1=CC(=CC=C1CCC2=C(C=CS2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)F
InChI: InChI=1S/C18H21FO6S/c19-11-4-1-10(2-5-11)3-6-14-12(7-8-26-14)24-18-17(23)16(22)15(21)13(9-20)25-18/h1-2,4-5,7-8,13,15-18,20-23H,3,6,9H2/t13-,15-,16+,17-,18-/m1/s1
SMILES: CCC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)OC
InChI: InChI=1S/C15H15N3O4/c1-3-8-6-4-5-7-9(8)18-13(19)10-11(14(18)20)16-17-12(10)15(21)22-2/h4-7,10-11,16H,3H2,1-2H3/t10-,11-/m1/s1
SMILES: C=CCNC(=O)N[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC2=CC=CS2)C(=O)N)C(=O)C3=CC=CO3
InChI: InChI=1S/C21H25N5O5S/c1-2-8-23-21(30)25-14-7-9-26(20(29)16-6-3-10-31-16)17(14)19(28)24-15(18(22)27)12-13-5-4-11-32-13/h2-6,10-11,14-15,17H,1,7-9,12H2,(H2,22,27)(H,24,28)(H2,23,25,30)/t14-,15-,17-/m0/s1
SMILES: CCCCCCCC1=CC2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C18H28N2O5/c1-2-3-4-5-6-7-13-8-12-10-20(18(23)19-17(12)24-13)16-9-14(22)15(11-21)25-16/h8,12,14-16,21-22H,2-7,9-11H2,1H3/t12?,14-,15+,16+/m0/s1
SMILES: CCC1=CC=C(C=C1)CC2=CC(=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H26O5/c1-2-13-6-8-14(9-7-13)10-15-4-3-5-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
SMILES: C1=CC(=C(C=C1O)F)[C@@H]2[C@@H](N=CN2)C3=C(C=C(C=C3)O)F
InChI: InChI=1S/C15H12F2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H29N3O3S/c1-12-6-5-7-15(13(12)2)20-19(26)22-21-18(23)11-14-8-9-16(24-3)17(10-14)25-4/h8-10,12-13,15H,5-7,11H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13-,15+/m1/s1
SMILES: C/C(=N\NC(=O)C1[C@H]2[C@@H]1CCCC2)/CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H22N4O4/c1-11(20-21-18(24)17-14-4-2-3-5-15(14)17)10-16(23)19-12-6-8-13(9-7-12)22(25)26/h6-9,14-15,17H,2-5,10H2,1H3,(H,19,23)(H,21,24)/b20-11+/t14-,15+,17?
SMILES: COC(=O)C1CN2[C@H]([C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)S(=O)(=O)C1
InChI: InChI=1S/C25H27N3O8S/c1-35-24(31)18-13-28-22(30)20(23(28)37(33,34)15-18)27-21(29)19(12-16-8-4-2-5-9-16)26-25(32)36-14-17-10-6-3-7-11-17/h2-11,18-20,23H,12-15H2,1H3,(H,26,32)(H,27,29)/t18?,19-,20+,23-/m0/s1
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)OCCSC5=NCCS5)(C)CO)O
InChI: InChI=1S/C25H41NO4S2/c1-22(15-27)19-4-3-17-13-18-14-24(17,23(19,2)6-5-20(22)29)7-8-25(18,16-28)30-10-12-32-21-26-9-11-31-21/h17-20,27-29H,3-16H2,1-2H3/t17-,18+,19-,20+,22-,23-,24-,25-/m0/s1
SMILES: COC(=O)N1C2=CC=CC=C2[C@@H]3CC(=CC[C@@]3(C1=O)SC4=CC=CC=C4)O[Si](C)(C)C
InChI: InChI=1S/C24H27NO4SSi/c1-28-23(27)25-21-13-9-8-12-19(21)20-16-17(29-31(2,3)4)14-15-24(20,22(25)26)30-18-10-6-5-7-11-18/h5-14,20H,15-16H2,1-4H3/t20-,24+/m0/s1
SMILES: CCCC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC)O)O)OC(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H26O7/c1-4-5-6-13-16(14(19)15(20)18(23-3)24-13)25-17(21)11-7-9-12(22-2)10-8-11/h7-10,13-16,18-20H,4-6H2,1-3H3/t13-,14+,15-,16+,18+/m1/s1
SMILES: CC(=O)OC1=CC=CC(=C1)N2C(=O)[C@@H]3CC=C(C[C@H]3C2=O)Cl
InChI: InChI=1S/C16H14ClNO4/c1-9(19)22-12-4-2-3-11(8-12)18-15(20)13-6-5-10(17)7-14(13)16(18)21/h2-5,8,13-14H,6-7H2,1H3/t13-,14-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CC(F)(F)P(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C49H49F2O8P/c50-49(51,60(52,57-36-42-27-15-5-16-28-42)58-37-43-29-17-6-18-30-43)31-44-45(53-32-38-19-7-1-8-20-38)46(54-33-39-21-9-2-10-22-39)47(55-34-40-23-11-3-12-24-40)48(59-44)56-35-41-25-13-4-14-26-41/h1-30,44-48H,31-37H2/t44-,45-,46+,47-,48-/m1/s1
SMILES: C1=CN(C(=O)C=C1C(=S)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H14N2O5S/c12-10(19)5-1-2-13(7(15)3-5)11-9(17)8(16)6(4-14)18-11/h1-3,6,8-9,11,14,16-17H,4H2,(H2,12,19)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)NCCC2=CC=CC=C2Br
InChI: InChI=1S/C18H28BrNO/c1-13-8-9-15(17(21)12-13)18(2,3)20-11-10-14-6-4-5-7-16(14)19/h4-7,13,15,17,20-21H,8-12H2,1-3H3/t13-,15-,17-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
InChI: InChI=1S/C20H23FN4O4/c1-3-9(2)25-17(27)15-13(6-7-14(22)26)24-20(16(15)18(25)28)11-8-10(21)4-5-12(11)23-19(20)29/h4-5,8-9,13,15-16,24H,3,6-7H2,1-2H3,(H2,22,26)(H,23,29)/t9-,13-,15-,16+,20-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=CC=C5)O)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H32ClFN2O5/c1-33-24(30(40)37(32(33)42)19-10-13-26(35)25(34)15-19)16-23-21(28(33)17-6-5-9-20(38)14-17)11-12-22-27(23)31(41)36(29(22)39)18-7-3-2-4-8-18/h5-6,9-11,13-15,18,22-24,27-28,38H,2-4,7-8,12,16H2,1H3/t22-,23+,24-,27-,28-,33+/m0/s1
SMILES: CC1=CC2=C(C=C1)N=C3N2C(=O)[C@@H]4[C@@H]3C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C25H18N2O/c1-13-10-11-18-19(12-13)27-24(26-18)22-20-14-6-2-4-8-16(14)21(23(22)25(27)28)17-9-5-3-7-15(17)20/h2-12,20-23H,1H3/t20?,21?,22-,23-/m0/s1
SMILES: C[C@]12C[C@@H]([C@@H]3C4=C(CC[C@]3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCCN(C)CCCCCCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C35H52F5NO2/c1-4-33-20-18-25-23-27(42)14-15-28(25)31(33)26(24-32(2)29(33)16-17-30(32)43)13-9-8-12-22-41(3)21-11-7-5-6-10-19-34(36,37)35(38,39)40/h4,14-15,23,26,29-31,42-43H,1,5-13,16-22,24H2,2-3H3/t26-,29+,30-,31+,32-,33-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC(O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H22O9/c1-4-11(5(14)2-7(15)19-4)21-12-10(18)9(17)8(16)6(3-13)20-12/h4-18H,2-3H2,1H3/t4-,5-,6-,7?,8-,9+,10-,11-,12?/m1/s1
SMILES: CCOC(=O)C1=C(O[C@@H]([C@H]1C2=CC=CC=C2[N+](=O)[O-])O)C
InChI: InChI=1S/C14H15NO6/c1-3-20-13(16)11-8(2)21-14(17)12(11)9-6-4-5-7-10(9)15(18)19/h4-7,12,14,17H,3H2,1-2H3/t12-,14-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2[C@H](C=C(O1)C)C(=O)N([C@H]2C(C)C)CC3=CC=CC=C3
InChI: InChI=1S/C21H27NO4/c1-5-25-21(24)19-17-16(11-14(4)26-19)20(23)22(18(17)13(2)3)12-15-9-7-6-8-10-15/h6-11,13,16-19H,5,12H2,1-4H3/t16-,17+,18-,19-/m0/s1
SMILES: CN1CC[C@]23C4C(=C)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI: InChI=1S/C18H21NO3/c1-10-5-6-18(21)13-9-11-3-4-12(20)15-14(11)17(18,16(10)22-15)7-8-19(13)2/h3-4,13,16,20-21H,1,5-9H2,2H3/t13-,16?,17+,18-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCNS(=O)(=O)C2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C21H32N2O5S/c1-14-11-16(3)21(17(4)12-14)29(26,27)22-10-9-20(25)28-13-19(24)23-18-8-6-5-7-15(18)2/h11-12,15,18,22H,5-10,13H2,1-4H3,(H,23,24)/t15-,18+/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CCl)O)O
InChI: InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@]34C[C@@H]5CC[C@]3([C@@]5(CO4)C)C
InChI: InChI=1S/C24H27NO4S/c1-4-28-20(26)18-17(15-8-6-5-7-9-15)13-30-19(18)25-21(27)24-12-16-10-11-23(24,3)22(16,2)14-29-24/h5-9,13,16H,4,10-12,14H2,1-3H3,(H,25,27)/t16-,22+,23-,24+/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(=C4)CNC(=O)C(Cl)(Cl)Cl)CSC5=NN=CN5C
InChI: InChI=1S/C31H31Cl3N4O4S/c1-19-26(17-43-30-37-36-18-38(30)2)41-28(42-27(19)23-8-6-20(16-39)7-9-23)24-12-10-22(11-13-24)25-5-3-4-21(14-25)15-35-29(40)31(32,33)34/h3-14,18-19,26-28,39H,15-17H2,1-2H3,(H,35,40)/t19-,26+,27+,28+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NC
InChI: InChI=1S/C14H20N4O5/c1-8-5-3-4-6-9(8)18-12(21)11(20)17(14(18)23)7-10(19)16-13(22)15-2/h8-9H,3-7H2,1-2H3,(H2,15,16,19,22)/t8-,9-/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@H]2C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C18H22N2O6/c21-17(22)15-10-13(20(24)25)6-7-14(15)18(23)26-11-12-4-3-9-19-8-2-1-5-16(12)19/h6-7,10,12,16H,1-5,8-9,11H2,(H,21,22)/t12-,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O
InChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
SMILES: C[C@]12C=C[C@H]3[C@@H]([C@H]1[C@]2(C4=CC=C(C=C4)Br)C(=O)OC)[C@]3(C5=CC=C(C=C5)Br)C(=O)OC
InChI: InChI=1S/C25H22Br2O4/c1-23-13-12-18-19(24(18,21(28)30-2)14-4-8-16(26)9-5-14)20(23)25(23,22(29)31-3)15-6-10-17(27)11-7-15/h4-13,18-20H,1-3H3/t18-,19-,20+,23-,24+,25+/m0/s1
SMILES: CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C16H17F3N2O5/c1-8(22)20-11-6-24-14-12(7-25-13(11)14)26-15(23)21-10-4-2-3-9(5-10)16(17,18)19/h2-5,11-14H,6-7H2,1H3,(H,20,22)(H,21,23)/t11-,12+,13+,14+/m0/s1
SMILES: CCC(=O)OC1=C(N(N=C1[C@@H]2[C@H](C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C34H30N4O2/c1-3-29(39)40-34-24(2)37(27-20-12-6-13-21-27)36-32(34)33-30(25-16-8-4-9-17-25)31(26-18-10-5-11-19-26)35-38(33)28-22-14-7-15-23-28/h4-23,30,33H,3H2,1-2H3/t30-,33-/m0/s1
SMILES: C[C@H]([C@@H]1O[C@H]2[C@H](CCC3=C2C=CC=C3OCC4=CC=CC=C4)C(S1)(C)C)O
InChI: InChI=1S/C23H28O3S/c1-15(24)22-26-21-18-10-7-11-20(25-14-16-8-5-4-6-9-16)17(18)12-13-19(21)23(2,3)27-22/h4-11,15,19,21-22,24H,12-14H2,1-3H3/t15-,19+,21-,22-/m1/s1
SMILES: C/C=C/CC(=C)[C@H]1[C@@H](OC(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C
InChI: InChI=1S/C20H27NO4S/c1-7-8-9-15(3)17-18(20(4,5)6)25-19(22)21(17)26(23,24)16-12-10-14(2)11-13-16/h7-8,10-13,17-18H,3,9H2,1-2,4-6H3/b8-7+/t17-,18+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)CC3=CC=CC=C3C
InChI: InChI=1S/C22H29N3O5/c1-15-8-4-5-10-17(15)12-24(3)18(26)14-30-19(27)13-25-20(28)22(23-21(25)29)11-7-6-9-16(22)2/h4-5,8,10,16H,6-7,9,11-14H2,1-3H3,(H,23,29)/t16-,22-/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](O1)C3=CC4=C(C=C3)OCO4)C(=O)O[C@@H]2C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C20H16O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-19H,7-9H2/t12-,17-,18+,19-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H29NO4/c1-14-4-3-7-23(2)10-21-16(9-18(14)23)17(22(25)28-21)12-24-11-15-5-6-19-20(8-15)27-13-26-19/h5-6,8,16-18,21,24H,1,3-4,7,9-13H2,2H3/p+1/t16-,17-,18+,21+,23-/m0/s1
SMILES: CCCCCCCCCCCCS.CC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCNC(C)(C)C.CC(=C)C(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C
InChI: InChI=1S/C14H22O2.C12H26S.C10H19NO2.C5H8O2.C4H6O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13;1-8(2)9(12)13-7-6-11-10(3,4)5;1-4(2)5(6)7-3;1-3(2)4(5)6/h10-11H,1,6-8H2,2-5H3;13H,2-12H2,1H3;11H,1,6-7H2,2-5H3;1H2,2-3H3;1H2,2H3,(H,5,6)/t10-,11+,14-;;;;/m1..../s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN(C)CCC#N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C15H21N3O4/c1-8-10(7-17(3)6-4-5-16)13(15(21)22)18-12(8)11(9(2)19)14(18)20/h8-9,11-12,19H,4,6-7H2,1-3H3,(H,21,22)/t8-,9+,11+,12+/m0/s1
SMILES: CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C[C@H]4CCCO4)O2
InChI: InChI=1S/C18H25NO5/c1-2-3-8-23-17(21)14-13-6-7-18(24-13)11-19(16(20)15(14)18)10-12-5-4-9-22-12/h6-7,12-15H,2-5,8-11H2,1H3/t12-,13-,14+,15+,18-/m1/s1
SMILES: COC(=O)N1C[C@]23C=CC4[C@]2(C1)[C@@H]4[C@H]5[C@@H]3CCC5
InChI: InChI=1S/C15H19NO2/c1-18-13(17)16-7-14-6-5-11-12(15(11,14)8-16)9-3-2-4-10(9)14/h5-6,9-12H,2-4,7-8H2,1H3/t9-,10+,11?,12-,14+,15-/m1/s1
SMILES: C/C/1=C/C/C=C(/CC[C@H]2C[C@@H]([C@H](O2)[C@@H](/C=C(\C)/CC(=O)O)O)OC(=O)C[C@@H]1OC(=O)C)\Cl
InChI: InChI=1S/C23H31ClO8/c1-13(10-21(27)28)9-18(26)23-20-11-17(31-23)8-7-16(24)6-4-5-14(2)19(30-15(3)25)12-22(29)32-20/h5-6,9,17-20,23,26H,4,7-8,10-12H2,1-3H3,(H,27,28)/b13-9+,14-5-,16-6-/t17-,18+,19-,20-,23+/m0/s1
SMILES: CC(=O)CCC(=O)O[C@@H]1[C@H](OC([C@H]([C@H]1O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI: InChI=1S/C46H48Cl3NO11Si/c1-28(51)24-25-38(53)59-39-37(27-56-44(54)55-26-36-34-22-14-12-20-32(34)33-21-13-15-23-35(33)36)58-42(60-43(50)46(47,48)49)41(57-29(2)52)40(39)61-62(45(3,4)5,30-16-8-6-9-17-30)31-18-10-7-11-19-31/h6-23,36-37,39-42,50H,24-27H2,1-5H3/t37-,39-,40+,41+,42?/m1/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C
InChI: InChI=1S/C37H54N4O5/c1-6-38-36(44)39-21-25-11-17-29(18-12-25)35-45-32(24(2)33(46-35)28-15-13-26(23-42)14-16-28)22-41-30-10-8-7-9-27(30)19-20-31(41)34(43)40-37(3,4)5/h11-18,24,27,30-33,35,42H,6-10,19-23H2,1-5H3,(H,40,43)(H2,38,39,44)/t24-,27+,30+,31+,32+,33+,35+/m0/s1
SMILES: C1=C2C(=CC(=C1F)F)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=CC(=C(C=C6N4[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CF)O)O)O)F)F
InChI: InChI=1S/C26H16F5N3O6/c27-5-14-21(35)22(36)23(37)26(40-14)34-13-4-11(31)9(29)2-7(13)16-18-17(24(38)33-25(18)39)15-6-1-8(28)10(30)3-12(6)32-19(15)20(16)34/h1-4,14,21-23,26,32,35-37H,5H2,(H,33,38,39)/t14-,21-,22+,23-,26-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C(=N2)NCCCCNC3=NC4=C(N=CN=C4N3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N
InChI: InChI=1S/C24H34N12O8/c25-17-11-19(31-7-29-17)35(21-15(41)13(39)9(5-37)43-21)23(33-11)27-3-1-2-4-28-24-34-12-18(26)30-8-32-20(12)36(24)22-16(42)14(40)10(6-38)44-22/h7-10,13-16,21-22,37-42H,1-6H2,(H,27,33)(H,28,34)(H2,25,29,31)(H2,26,30,32)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@H](CO[C@@H]1C2=CC(=C(C=C2)OC(=O)C)OC)[C@H](C3=CC(=C(C=C3)OC(=O)C)OC)OC(=O)C
InChI: InChI=1S/C28H32O11/c1-15(29)35-13-21-22(14-36-27(21)19-7-9-23(37-16(2)30)25(11-19)33-5)28(39-18(4)32)20-8-10-24(38-17(3)31)26(12-20)34-6/h7-12,21-22,27-28H,13-14H2,1-6H3/t21-,22-,27+,28-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](OC(=C)[C@H]1OC(=O)C)OC)OC(=O)C
InChI: InChI=1S/C13H18O8/c1-6-10(19-7(2)14)11(20-8(3)15)12(21-9(4)16)13(17-5)18-6/h10-13H,1H2,2-5H3/t10-,11+,12-,13+/m1/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=C(C=CC(=C3)Cl)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C21H19ClN2O5/c1-21(20(28)29)16-15(17(23-21)13-9-12(22)7-8-14(13)25)18(26)24(19(16)27)10-11-5-3-2-4-6-11/h2-9,15-17,23,25H,10H2,1H3,(H,28,29)/t15-,16+,17-,21-/m0/s1
SMILES: C[C@@H]1[C@H](C(=O)O[C@@H](O1)C(C)(C)C)[C@H](C[N+](=O)[O-])C2=CC=CC=C2
InChI: InChI=1S/C17H23NO5/c1-11-14(15(19)23-16(22-11)17(2,3)4)13(10-18(20)21)12-8-6-5-7-9-12/h5-9,11,13-14,16H,10H2,1-4H3/t11-,13-,14+,16-/m1/s1
SMILES: CCCCN1C(=O)C(=O)C2=C(O[C@@]3([C@@]21C(C4=CC=CC=C43)(O)O)O)C5=COC=C5
InChI: InChI=1S/C21H19NO7/c1-2-3-9-22-18(24)16(23)15-17(12-8-10-28-11-12)29-21(27)14-7-5-4-6-13(14)20(25,26)19(15,21)22/h4-8,10-11,25-27H,2-3,9H2,1H3/t19-,21-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)C2=NOC(=C2)C(=O)O[C@@H]3CCCC[C@H]3C4=CC=CC=C4)C
InChI: InChI=1S/C25H27NO3/c1-16-13-17(2)24(18(3)14-16)21-15-23(29-26-21)25(27)28-22-12-8-7-11-20(22)19-9-5-4-6-10-19/h4-6,9-10,13-15,20,22H,7-8,11-12H2,1-3H3/t20-,22+/m0/s1
SMILES: CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H]2[C@H](C[C@H](C=C2C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O)[C@@H](C)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C58H64N6O7/c1-5-6-25-48-54(67)64-52(38(4)71-58(41-18-10-7-11-19-41,42-20-12-8-13-21-42)43-22-14-9-15-23-43)57(70)63-51-37(3)31-36(2)32-46(51)53(66)61-49(33-39-27-29-44(65)30-28-39)55(68)62-50(56(69)60-48)34-40-35-59-47-26-17-16-24-45(40)47/h7-24,26-31,35-36,38,46,48-52,59,65H,5-6,25,32-34H2,1-4H3,(H,60,69)(H,61,66)(H,62,68)(H,63,70)(H,64,67)/t36-,38+,46-,48-,49-,50+,51+,52-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])C34CC4
InChI: InChI=1S/C18H19NO3/c1-10-4-2-3-5-13(10)19-16(20)14-11-6-7-12(15(14)17(21)22)18(11)8-9-18/h2-7,11-12,14-15H,8-9H2,1H3,(H,19,20)(H,21,22)/p-1/t11-,12+,14-,15+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2O3/c1-9-4-3-5-12(10(9)2)19-15(21)8-23-16(22)11-6-13(17)20-14(18)7-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,21)/t9-,10+,12-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C26H21N/c1-3-10-19-17(7-1)9-5-13-22(19)26-23-14-6-12-21(23)25-20-11-4-2-8-18(20)15-16-24(25)27-26/h1-13,15-16,21,23,26-27H,14H2/t21-,23+,26+/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN(C)CC=C
InChI: InChI=1S/C39H45N3O6S/c1-5-23-42(4)25-36-28(3)37(31-15-13-30(26-43)14-16-31)48-39(47-36)32-17-19-33(20-18-32)40-38(44)35(24-29-9-7-6-8-10-29)41-49(45,46)34-21-11-27(2)12-22-34/h5-22,28,35-37,39,41,43H,1,23-26H2,2-4H3,(H,40,44)/t28-,35-,36+,37+,39+/m1/s1
SMILES: CC1=C(SC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)CCO
InChI: InChI=1S/C20H22N6O6S3/c1-9-12(3-4-27)35-8-25(9)5-10-6-33-18-14(17(29)26(18)15(10)19(30)31)23-16(28)13(24-32-2)11-7-34-20(21)22-11/h7-8,14,18,27H,3-6H2,1-2H3,(H3-,21,22,23,28,30,31)/p+1/t14-,18-/m1/s1