EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1CCN(CC1)CC2=C(C=CO2)CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@@]4(C)C(=O)OC)C
InChI: InChI=1S/C28H43NO3/c1-20-11-16-29(17-12-20)19-24-22(13-18-32-24)8-9-23-21(2)7-10-25-27(23,3)14-6-15-28(25,4)26(30)31-5/h13,18,20,23,25H,2,6-12,14-17,19H2,1,3-5H3/t23-,25+,27+,28+/m0/s1
SMILES: CC(C)SC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O
InChI: InChI=1S/C20H24IN5O3S/c1-11(2)30-8-14-16(27)17(28)20(29-14)26-10-25-15-18(23-9-24-19(15)26)22-7-12-4-3-5-13(21)6-12/h3-6,9-11,14,16-17,20,27-28H,7-8H2,1-2H3,(H,22,23,24)/t14-,16-,17-,20-/m1/s1
SMILES: C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/p+1/t12-,14-,17+,18+,19-,20+,24+/m0/s1
SMILES: C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C(=O)[C@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C22H24N2O5/c25-19(9-12-24-20(26)15-5-1-2-6-16(15)21(24)27)23-14-7-8-17-18(13-14)29-22(28-17)10-3-4-11-22/h1-2,7-8,13,15-16H,3-6,9-12H2,(H,23,25)/t15-,16-/m0/s1
SMILES: CCCCOC1=CC=CC=C1C2(CCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O
InChI: InChI=1S/C23H28N2O5S/c1-3-4-12-30-16-9-6-5-8-15(16)23(10-7-11-23)22(29)24-17-19(26)25-18(21(27)28)14(2)13-31-20(17)25/h5-6,8-9,17,20H,3-4,7,10-13H2,1-2H3,(H,24,29)(H,27,28)/t17-,20-/m1/s1
SMILES: C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C[C@H]3[C@@H]4COC5=C(C4=NO3)C=CC(=C5)OC(=O)C(C)(C)C
InChI: InChI=1S/C30H37N3O4/c1-21(16-22-8-6-5-7-9-22)18-32-12-14-33(15-13-32)19-27-25-20-35-26-17-23(36-29(34)30(2,3)4)10-11-24(26)28(25)31-37-27/h5-11,16-17,25,27H,12-15,18-20H2,1-4H3/b21-16+/t25-,27-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)[N+]5(CCCCC5)C)OC(=O)C)C)C
InChI: InChI=1S/C29H48NO4/c1-19(31)33-26-18-29(4)21(17-25(26)30(5)15-7-6-8-16-30)9-10-22-23-11-12-27(34-20(2)32)28(23,3)14-13-24(22)29/h21-27H,6-18H2,1-5H3/q+1/t21-,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
SMILES: B(C1=CC(=CC=C1)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=C(C=CC(=C6)OC(F)(F)F)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)(O)O
InChI: InChI=1S/C39H27BCl2F6N4O8/c41-20-6-4-17(5-7-20)37-27(34(55)52(36(37)57)50-32-28(42)12-18(16-49-32)38(43,44)45)15-25-23(31(37)26-14-22(8-11-29(26)53)60-39(46,47)48)9-10-24-30(25)35(56)51(33(24)54)21-3-1-2-19(13-21)40(58)59/h1-9,11-14,16,24-25,27,30-31,53,58-59H,10,15H2,(H,49,50)/t24-,25+,27-,30-,31+,37+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([C@@H](N1)S(=O)(=O)O)O)O)O
InChI: InChI=1S/C6H13NO6S/c1-2-3(8)4(9)5(10)6(7-2)14(11,12)13/h2-10H,1H3,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
SMILES: CCCCCC[C@H](CCCCCCCCCCC(=O)N(C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O)C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O)OC(=O)C
InChI: InChI=1S/C34H63NO13/c1-5-6-7-14-17-23(46-22(2)36)18-15-12-10-8-9-11-13-16-19-26(37)35(20-24-27(38)29(40)31(42)33(44-3)47-24)21-25-28(39)30(41)32(43)34(45-4)48-25/h23-25,27-34,38-43H,5-21H2,1-4H3/t23-,24-,25-,27-,28-,29+,30+,31-,32-,33+,34+/m1/s1
SMILES: CC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H16ClN5O/c1-12(27)26-7-6-13-15(8-22)19(25)20(10-23,11-24)18(16(13)9-26)14-4-2-3-5-17(14)21/h2-6,15-16,18,25H,7,9H2,1H3/t15?,16-,18-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC(=C(C(=C5)I)O)OC)C(=O)C=C(C4=O)C
InChI: InChI=1S/C27H26INO6/c1-4-7-29-26(33)15-6-5-14-16(22(15)27(29)34)11-17-23(19(30)8-12(2)24(17)31)21(14)13-9-18(28)25(32)20(10-13)35-3/h5,8-10,15-16,21-22,32H,4,6-7,11H2,1-3H3/t15-,16+,21-,22-/m0/s1
SMILES: CC[C@@]1(C[C@@H]2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)[C@@H]1CCCN1)CC)OC)C(=O)OC)O
InChI: InChI=1S/C49H63N5O9/c1-7-45(58)25-29-26-48(43(56)61-5,38-31(16-21-53(27-29)28-45)30-13-9-10-14-34(30)51-38)33-23-32-36(24-37(33)60-4)52(3)41-47(32)18-22-54-20-12-17-46(8-2,40(47)54)42(49(41,59)44(57)62-6)63-39(55)35-15-11-19-50-35/h9-10,12-14,17,23-24,29,35,40-42,50-51,58-59H,7-8,11,15-16,18-22,25-28H2,1-6H3/t29-,35+,40+,41-,42-,45+,46-,47?,48?,49+/m1/s1
SMILES: CCN(CCCC1=CC=CC=C1)N2[C@@H]3[C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O[C@@H]([C@]3(OC2=O)C)C)(C)F)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)N)C
InChI: InChI=1S/C41H67FN4O9/c1-13-45(21-17-20-29-18-15-14-16-19-29)46-33-26(4)31(43)24(2)23-39(7,51-12)35(54-36-32(47)30(44(10)11)22-25(3)52-36)27(5)34(48)40(8,42)37(49)53-28(6)41(33,9)55-38(46)50/h14-16,18-19,24-28,30-33,35-36,47H,13,17,20-23,43H2,1-12H3/t24-,25-,26+,27+,28-,30+,31?,32-,33-,35-,36+,39+,40?,41-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@](CC2=NN1)(C)O)C(=O)C)C3=CC(=CC=C3)F
InChI: InChI=1S/C17H19FN2O2/c1-9-14-13(20-19-9)8-17(3,22)16(10(2)21)15(14)11-5-4-6-12(18)7-11/h4-7,15-16,22H,8H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@@](CCC[C@]23CO3)([C@H]4[C@]15CC[C@@H](C4)C(=C)C5)C
InChI: InChI=1S/C21H30O3/c1-13-11-20-8-5-15(13)9-16(20)19(3)6-4-7-21(12-23-21)17(19)10-18(20)24-14(2)22/h15-18H,1,4-12H2,2-3H3/t15-,16-,17-,18-,19-,20+,21-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC3=CN(C4=NC(=NC(=C34)N)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C22H20N6O6/c23-17-14-10(4-3-7-27-19(32)11-5-1-2-6-12(11)20(27)33)8-28(18(14)26-22(24)25-17)21-16(31)15(30)13(9-29)34-21/h1-2,5-6,8,13,15-16,21,29-31H,7,9H2,(H4,23,24,25,26)/t13-,15-,16-,21-/m1/s1
SMILES: CCCCCCCCCCCCNP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC3=CC=CC=C3
InChI: InChI=1S/C28H43N6O6P/c1-3-4-5-6-7-8-9-10-11-15-18-30-41(37,40-23-16-13-12-14-17-23)38-21-25-24(32-33-29)19-26(39-25)34-20-22(2)27(35)31-28(34)36/h12-14,16-17,20,24-26H,3-11,15,18-19,21H2,1-2H3,(H,30,37)(H,31,35,36)/t24-,25+,26+,41?/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N(C)CC(OC)OC)C2=CC=CC=C2)CCOCCOCCO
InChI: InChI=1S/C25H39NO8/c1-5-33-25-20(11-13-31-15-16-32-14-12-27)21(19-9-7-6-8-10-19)17-22(34-25)24(28)26(2)18-23(29-3)30-4/h6-10,17,20-21,23,25,27H,5,11-16,18H2,1-4H3/t20-,21+,25+/m1/s1
SMILES: C[C@]1(C(=O)N(C(=O)N1)CC(=O)N2CC[C@H]3CCCC[C@H]3C2)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C23H27N3O4/c1-23(19-12-16-7-4-5-9-18(16)30-19)21(28)26(22(29)24-23)14-20(27)25-11-10-15-6-2-3-8-17(15)13-25/h4-5,7,9,12,15,17H,2-3,6,8,10-11,13-14H2,1H3,(H,24,29)/t15-,17+,23-/m1/s1
SMILES: C1CCC(CC1)N2C(=S)N(N=N2)[C@H]3CC(=O)[C@@H]4OC[C@H]3O4
InChI: InChI=1S/C13H18N4O3S/c18-10-6-9(11-7-19-12(10)20-11)17-13(21)16(14-15-17)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2/t9-,11+,12+/m0/s1
SMILES: COC1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](CN2CC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C26H29NO3/c1-29-23-14-12-20(13-15-23)16-24-26(28)25(30-19-22-10-6-3-7-11-22)18-27(24)17-21-8-4-2-5-9-21/h2-15,24-26,28H,16-19H2,1H3/t24-,25+,26+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)N[C@@H]3CCCC4=CC=CC=C34
InChI: InChI=1S/C23H28N2O5/c26-20(24-19-11-5-7-15-6-1-2-8-16(15)19)14-30-21(27)12-13-25-22(28)17-9-3-4-10-18(17)23(25)29/h1-2,6,8,17-19H,3-5,7,9-14H2,(H,24,26)/t17-,18-,19-/m1/s1
SMILES: C[C@H]1[C@@H](C23CCC([C@@](C2C(=O)CC3)([C@@H](C[C@@]1(C)C=C)OC(=O)CSC4=NC=C(C=C4)C(=O)O)C)C)C
InChI: InChI=1S/C29H39NO5S/c1-7-27(5)14-22(35-24(32)16-36-23-9-8-20(15-30-23)26(33)34)28(6)17(2)10-12-29(19(4)18(27)3)13-11-21(31)25(28)29/h7-9,15,17-19,22,25H,1,10-14,16H2,2-6H3,(H,33,34)/t17?,18-,19-,22+,25?,27+,28+,29?/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C[C@H]3CC=C([C@@H]2C3)Br)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C24H32BrNO2/c1-16-9-11-19(24(2,3)18-7-5-4-6-8-18)22(13-16)28-23(27)26-15-17-10-12-20(25)21(26)14-17/h4-8,12,16-17,19,21-22H,9-11,13-15H2,1-3H3/t16-,17+,19-,21+,22-/m1/s1
SMILES: C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C20H28N2O3/c23-19(17-6-2-3-7-18(17)20(24)25)21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-22/h8-11,17-18H,1-7,12-14H2,(H,21,23)(H,24,25)/t17-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F
InChI: InChI=1S/C16H18ClF3N4OS/c1-9-4-2-3-5-12(9)21-13(25)8-26-15-23-22-14-11(17)6-10(7-24(14)15)16(18,19)20/h6-7,9,12H,2-5,8H2,1H3,(H,21,25)/t9-,12-/m1/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC=CO3)C(=O)N4C[C@@H](C[C@H]4C2=O)OCC5CC5
InChI: InChI=1S/C19H23N3O5/c23-17(15-2-1-7-26-15)20-13-5-6-21-16(13)19(25)22-9-12(8-14(22)18(21)24)27-10-11-3-4-11/h1-2,7,11-14,16H,3-6,8-10H2,(H,20,23)/t12-,13+,14+,16+/m1/s1
SMILES: C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=COC=C4
InChI: InChI=1S/C18H21N3O2/c22-18(15-5-9-23-12-15)20-17-14-3-7-21(8-4-14)16(17)10-13-2-1-6-19-11-13/h1-2,5-6,9,11-12,14,16-17H,3-4,7-8,10H2,(H,20,22)/t16-,17+/m0/s1
SMILES: C1CCC(C1)(CC(=O)N[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)O)CC(=O)[O-]
InChI: InChI=1S/C25H35N3O9/c26-22(35)16(9-14-3-5-15(29)6-4-14)28-23(36)25(37)10-17(21(34)18(30)11-25)27-19(31)12-24(13-20(32)33)7-1-2-8-24/h3-6,16-18,21,29-30,34,37H,1-2,7-13H2,(H2,26,35)(H,27,31)(H,28,36)(H,32,33)/p-1/t16-,17-,18+,21+,25-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
InChI: InChI=1S/C20H29N3O2S/c21-19(25)18-14-8-2-4-10-16(14)26-20(18)22-17(24)12-23-11-5-7-13-6-1-3-9-15(13)23/h13,15H,1-12H2,(H2,21,25)(H,22,24)/t13-,15+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=CC(=C3Cl)Cl)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H14Cl2N2O2/c19-15-8-7-14-12-5-2-6-13(12)17(21-18(14)16(15)20)10-3-1-4-11(9-10)22(23)24/h1-5,7-9,12-13,17,21H,6H2/t12-,13+,17+/m1/s1
SMILES: CC(=CCO[C@@H]1C=C[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)OCC(=C)Br)C
InChI: InChI=1S/C20H35BrO4Si/c1-15(2)11-12-22-19-10-9-17(23-13-16(3)21)18(25-19)14-24-26(7,8)20(4,5)6/h9-11,17-19H,3,12-14H2,1-2,4-8H3/t17-,18+,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CC=C)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C38H52O4/c1-8-15-30(35(39)41-33-24-26(2)20-22-31(33)37(4,5)28-16-11-9-12-17-28)36(40)42-34-25-27(3)21-23-32(34)38(6,7)29-18-13-10-14-19-29/h8-14,16-19,26-27,30-34H,1,15,20-25H2,2-7H3/t26-,27-,31-,32-,33-,34-/m1/s1
SMILES: CS(=O)(=O)OC[C@]1([C@H](O1)C2=CC=CC=C2Cl)[14C]3=[14CH]C=[14C]([14CH]=[14CH]3)F
InChI: InChI=1S/C16H14ClFO4S/c1-23(19,20)21-10-16(11-6-8-12(18)9-7-11)15(22-16)13-4-2-3-5-14(13)17/h2-9,15H,10H2,1H3/t15-,16-/m1/s1/i6+2,7+2,8+2,11+2,12+2
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H23NO2S/c1-12-7-6-10-15(13(12)2)18-16(19)11-21-17(20)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,18,19)/t12-,13+,15-/m0/s1
SMILES: CCCCCCCCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5C4(CC[C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)O)O)O
InChI: InChI=1S/C52H86O14/c1-9-10-11-12-13-14-15-16-27-62-43(60)42-39(57)38(56)41(59)45(65-42)64-35-20-21-49(6)33(48(35,4)5)19-22-51(8)34(49)18-17-30-31-28-47(2,3)23-25-52(31,26-24-50(30,51)7)46(61)66-44-40(58)37(55)36(54)32(29-53)63-44/h17,31-42,44-45,53-59H,9-16,18-29H2,1-8H3/t31?,32-,33?,34?,35+,36-,37+,38+,39+,40-,41-,42+,44+,45-,49+,50?,51-,52+/m1/s1
SMILES: CC(=O)N(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C3=CC=CC=C3
InChI: InChI=1S/C17H18N2O3/c1-12(20)18(13-7-3-2-4-8-13)11-19-16(21)14-9-5-6-10-15(14)17(19)22/h2-8,14-15H,9-11H2,1H3/t14-,15+
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH2+]CCC2=CC=CC=C2
InChI: InChI=1S/C18H28N2O/c1-14-7-6-10-17(15(14)2)20-18(21)13-19-12-11-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,6-7,10-13H2,1-2H3,(H,20,21)/p+1/t14-,15+,17-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@H]3C[C@@H]4C=C[C@@]3([C@@H]2C)O4
InChI: InChI=1S/C19H31NO2/c1-12-5-6-16(17(21)9-12)18(3,4)20-11-14-10-15-7-8-19(14,22-15)13(20)2/h7-8,12-17,21H,5-6,9-11H2,1-4H3/t12-,13+,14-,15+,16-,17-,19+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI: InChI=1S/C62H111N3O10S/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-47-57(67)64-52(58(68)54(66)45-38-36-34-32-30-18-16-14-12-10-8-6-2)49-74-62-61(71)60(70)59(69)55(75-62)48-63-76(72,73)56-46-41-42-50-51(56)43-40-44-53(50)65(3)4/h40-44,46,52,54-55,58-63,66,68-71H,5-39,45,47-49H2,1-4H3,(H,64,67)/t52-,54+,55+,58-,59-,60-,61+,62-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@H]2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O
InChI: InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23+,25+,26+,27+,31+,32-,33-/m0/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H18FNO4/c1-14-4-2-3-5-18(14)29-22-21(15-6-11-19-20(12-15)28-13-27-19)25(23(22)26)17-9-7-16(24)8-10-17/h2-12,21-22H,13H2,1H3/t21-,22-/m1/s1
SMILES: C=CC1=CC=C(C=C1)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=CC=C6OCCO)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl
InChI: InChI=1S/C36H25Cl2F5N2O6/c1-2-16-7-9-17(10-8-16)44-31(47)20-12-11-18-21(23(20)32(44)48)15-35(37)33(49)45(30-28(42)26(40)25(39)27(41)29(30)43)34(50)36(35,38)24(18)19-5-3-4-6-22(19)51-14-13-46/h2-11,20-21,23-24,46H,1,12-15H2/t20-,21+,23-,24+,35+,36-/m0/s1
SMILES: CCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]([C@@H]4Br)Br
InChI: InChI=1S/C22H25Br2NO4/c1-2-3-4-5-6-16(26)29-13-9-7-12(8-10-13)25-21(27)17-14-11-15(18(17)22(25)28)20(24)19(14)23/h7-10,14-15,17-20H,2-6,11H2,1H3/t14-,15+,17-,18-,19-,20+/m0/s1
SMILES: CC1=NN=NN1[C@H]2C(CC3[C@@]2(CCC4[C@H]3CCC5=CC6=NN=NN6CC[C@]45C)C)C#N
InChI: InChI=1S/C22H29N9/c1-13-24-26-29-31(13)20-14(12-23)10-18-16-5-4-15-11-19-25-27-28-30(19)9-8-21(15,2)17(16)6-7-22(18,20)3/h11,14,16-18,20H,4-10H2,1-3H3/t14?,16-,17?,18?,20+,21+,22+/m1/s1
SMILES: COC(=O)[C@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3
InChI: InChI=1S/C20H22ClNO2/c1-24-20(23)19-14-22(13-15-5-3-2-4-6-15)12-11-18(19)16-7-9-17(21)10-8-16/h2-10,18-19H,11-14H2,1H3/t18-,19+/m1/s1
SMILES: CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3C2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C25H34O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-18,22,30H,4-11,13-14H2,1-3H3/t17?,18-,22+,23-,24-,25-/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@H]4[C@@H](O4)CO
InChI: InChI=1S/C23H22O3/c24-16-21-22(26-21)17-25-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17H2/t21-,22-/m0/s1
SMILES: C[C@H]1CO[C@]2(C[C@H]1OC(=O)C3=CC=CC=C3)[C@@H]([C@]4([C@H](C[C@@H](C[C@H]4O2)C(=O)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O)O)O)O
InChI: InChI=1S/C35H49NO18/c1-14-13-49-34(11-20(14)51-30(45)16-6-4-3-5-7-16)33(47)35(48)22(40)8-17(9-23(35)54-34)31(46)50-19-10-18(39)25(41)28(44)29(19)53-32-24(36-15(2)38)27(43)26(42)21(12-37)52-32/h3-7,14,17-29,32-33,37,39-44,47-48H,8-13H2,1-2H3,(H,36,38)/t14-,17-,18-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28-,29-,32+,33-,34-,35+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)CC#CC4=CC5=CC=CC=C5N=C4)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C44H60N4O9/c1-11-34-44(7)38-27(4)35(45-19-20-48(38)42(52)57-44)25(2)23-43(6,53-10)39(56-41-37(50)33(47(8)9)21-26(3)54-41)28(5)36(49)31(40(51)55-34)17-14-15-29-22-30-16-12-13-18-32(30)46-24-29/h12-13,16,18,22,24-28,31,33-34,37-39,41,50H,11,17,19-21,23H2,1-10H3/t25-,26-,27+,28+,31?,33+,34-,37-,38-,39-,41+,43+,44-/m1/s1
SMILES: CC(=O)[C@]1(CCC2[C@@]1(CCC3C2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
InChI: InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11,16-18,20H,6-7,9-10,12H2,1-4H3/t16?,17?,18?,20-,21+,22-,23-/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C26H23NO7/c1-11-5-4-6-14(22(11)29)19-13-7-8-15-20(25(32)27(24(15)31)26(33)34-3)16(13)10-17-18(28)9-12(2)23(30)21(17)19/h4-7,9,15-16,19-20,29H,8,10H2,1-3H3/t15-,16+,19+,20-/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)/C=C/C(=O)OC)C[C@@H](CBr)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H33BrO5Si/c1-17(2,3)25(7,8)24-13(12-19)11-15-14(9-10-16(20)21-6)22-18(4,5)23-15/h9-10,13-15H,11-12H2,1-8H3/b10-9+/t13-,14+,15-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C33H31Cl2FN2O7/c1-33-22(30(43)38(32(33)45)17-7-10-24(36)23(35)14-17)15-20-18(28(33)21-13-16(34)6-11-25(21)39)8-9-19-27(20)31(44)37(29(19)42)12-4-2-3-5-26(40)41/h6-8,10-11,13-14,19-20,22,27-28,39H,2-5,9,12,15H2,1H3,(H,40,41)/t19-,20+,22-,27-,28+,33+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C/C(=N\O)/[C@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C31H51NO5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(32-35)31(37-22(5)34)18-23(36-21(4)33)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-27,35H,8-18H2,1-7H3/b32-28+/t20-,23+,24+,25-,26+,27+,29-,30-,31-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OC(=O)C3=CC=CC=C3)OC(=O)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C30H26F3NO12S/c1-41-28-24(45-29(38)34-25(35)18-11-5-2-6-12-18)23(44-27(37)20-15-9-4-10-16-20)22(46-47(39,40)30(31,32)33)21(43-28)17-42-26(36)19-13-7-3-8-14-19/h2-16,21-24,28H,17H2,1H3,(H,34,35,38)/t21-,22-,23+,24+,28+/m1/s1
SMILES: CC1=CC(=O)N(C1=O)C2=CC=CC=C2C(=O)OC[C@@]34CCC[C@@]5([C@]3(CCCCC5)O)CN(C4)CCCC6=CC=CC=C6
InChI: InChI=1S/C35H42N2O5/c1-26-22-30(38)37(31(26)39)29-16-7-6-15-28(29)32(40)42-25-34-19-11-18-33(17-8-3-9-20-35(33,34)41)23-36(24-34)21-10-14-27-12-4-2-5-13-27/h2,4-7,12-13,15-16,22,41H,3,8-11,14,17-21,23-25H2,1H3/t33-,34+,35+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H24N2O8/c1-11-6-16(22)13(14(11)9-21(25)26)8-19(24)29-10-18(23)20-15-5-4-12(27-2)7-17(15)28-3/h4-5,7,11,13-14H,6,8-10H2,1-3H3,(H,20,23)/t11-,13+,14+/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)O)C(=O)N(C3=O)C5=CC(=CC=C5)[N+](=O)[O-])[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H24N4O9/c37-21-9-7-16(8-10-21)26-22-11-12-23-27(31(40)33(29(23)38)17-3-1-5-19(13-17)35(42)43)24(22)15-25-28(26)32(41)34(30(25)39)18-4-2-6-20(14-18)36(44)45/h1-11,13-14,23-28,37H,12,15H2/t23-,24+,25+,26-,27-,28+/m0/s1
SMILES: COCCN1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CC(=O)N
InChI: InChI=1S/C18H19ClN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13-,14+,18-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)C5=CC=CC=N5
InChI: InChI=1S/C24H33N3O2/c1-17-6-5-8-24(2)15-21-18(14-20(17)24)19(23(28)29-21)16-26-10-12-27(13-11-26)22-7-3-4-9-25-22/h3-4,7,9,18-21H,1,5-6,8,10-16H2,2H3/t18-,19-,20+,21-,24-/m1/s1
SMILES: CC[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(\[C@H](C(=O)/C=C/C3=O)O)/C)C)[C@H]4[C@@]1(O4)C)[C@@H](C)C5=CNC6=CC=CC=C65
InChI: InChI=1S/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1C=CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C20H28O2/c1-2-20-11-10-16-15-9-7-14(21)12-13(15)6-8-17(16)18(20)4-3-5-19(20)22/h3-4,12,15-19,22H,2,5-11H2,1H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C26H34FN3O/c27-23-14-12-20(13-15-23)17-21-7-6-16-30(18-21)19-22-8-4-5-11-25(22)29-26(31)28-24-9-2-1-3-10-24/h1-3,9-10,12-15,21-22,25H,4-8,11,16-19H2,(H2,28,29,31)/t21-,22-,25+/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)N)C5=C(C=CC(=C5)OC(F)(F)F)O
InChI: InChI=1S/C25H19F3N2O7/c1-9-6-17(32)15-8-13-11(3-4-12-19(13)23(35)30(22(12)34)24(29)36)18(20(15)21(9)33)14-7-10(2-5-16(14)31)37-25(26,27)28/h2-3,5-7,12-13,18-19,31H,4,8H2,1H3,(H2,29,36)/t12-,13+,18+,19-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H](O2)S(=O)(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C13H16O5S/c1-13(2)16-8-10(18-13)11-12(17-11)19(14,15)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10-,11+,12+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)[NH+](C)C
InChI: InChI=1S/C16H26N2O3S/c1-4-12-5-7-13(8-6-12)15(18(2)3)9-17-14-10-22(20,21)11-16(14)19/h5-8,14-17,19H,4,9-11H2,1-3H3/p+2/t14-,15-,16+/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C18H15ClN2O3/c1-20-17(22)14-15(11-5-3-2-4-6-11)21(24-16(14)18(20)23)13-9-7-12(19)8-10-13/h2-10,14-16H,1H3/t14-,15+,16+/m1/s1
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C\C3=CSC(=N3)CN)/F)C
InChI: InChI=1S/C26H39FN2O6S/c1-14-7-6-8-26(5)20(35-26)10-18(17(27)9-16-13-36-21(12-28)29-16)34-22(31)11-19(30)25(3,4)24(33)15(2)23(14)32/h9,13-15,18-20,23,30,32H,6-8,10-12,28H2,1-5H3/b17-9+/t14-,15+,18-,19-,20-,23-,26+/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C25H38O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-21H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,24+,25-/m1/s1
SMILES: COC(=O)[C@@]1([C@H]2CC(=O)C[C@@H]3[C@@]2(CCCC3)CO1)OCC4=CC=CC=C4
InChI: InChI=1S/C21H26O5/c1-24-19(23)21(25-13-15-7-3-2-4-8-15)18-12-17(22)11-16-9-5-6-10-20(16,18)14-26-21/h2-4,7-8,16,18H,5-6,9-14H2,1H3/t16-,18+,20-,21+/m1/s1
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C22H36O7/c1-2-3-4-5-6-7-8-9-14-27-16-10-12-17(13-11-16)28-22-21(26)20(25)19(24)18(15-23)29-22/h10-13,18-26H,2-9,14-15H2,1H3/t18-,19-,20+,21-,22-/m1/s1
SMILES: CCC[C@H]1[C@@]([C@@H]([C@H](C2C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C40H73NO12/c1-15-16-28-40(12,46)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,47-14)34(44)26(9)49-29/h20-35,37,42-44,46H,15-19H2,1-14H3/t21?,22-,23+,24+,25-,26+,27+,28+,29+,30-,31?,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C
InChI: InChI=1S/C19H24N4O3S/c1-12-7-9-14(10-8-12)17-22-23-19(26-17)27-11-16(24)21-18(25)20-15-6-4-3-5-13(15)2/h7-10,13,15H,3-6,11H2,1-2H3,(H2,20,21,24,25)/t13-,15-/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@H](C[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)C2CC1(C)C)C)O)COC(=O)C)O
InChI: InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24?,25?,26-,27+,28+,29+,30+,31-,32+,33+,34+,37-,39+,40+,41-,42-,43+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C
InChI: InChI=1S/C17H21NO2/c1-10-5-7-13-14(8-10)17(20)18(16(13)19)15-9-11(2)4-6-12(15)3/h4,6,9-10,13-14H,5,7-8H2,1-3H3/t10-,13-,14-/m1/s1
SMILES: C=CCOC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C42H38N4O7/c1-2-26-51-41(50)43-25-15-18-31-28-46(40(49)44-38(31)47)37-27-35(36(53-37)29-52-39(48)30-16-7-3-8-17-30)45-42(32-19-9-4-10-20-32,33-21-11-5-12-22-33)34-23-13-6-14-24-34/h2-14,16-17,19-24,28,35-37,45H,1,25-27,29H2,(H,43,50)(H,44,47,49)/t35-,36+,37+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)COC(=S)NCC2=CC(=CC=C2)C(F)(F)F)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C22H28F3NO5S/c23-22(24,25)15-7-5-6-14(10-15)12-26-21(32)31-13-17-16(18(27)11-19(17)28)8-3-1-2-4-9-20(29)30/h1,3,5-7,10,16-19,27-28H,2,4,8-9,11-13H2,(H,26,32)(H,29,30)/b3-1-/t16-,17-,18+,19-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]3[C@H]4CC5=C(C[C@@H]4C(=O)N3C2(C)C)C=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C22H28N2O4/c1-12-7-8-17-19(9-12)28-21-16-11-14-13(5-4-6-18(14)24(26)27)10-15(16)20(25)23(21)22(17,2)3/h4-6,12,15-17,19,21H,7-11H2,1-3H3/t12-,15+,16+,17-,19-,21-/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C27H30O5/c28-23-16-24(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)27(25(23)29)32-19-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24+,25-,26-,27-/m1/s1