"7" . "4-methylpiperazine-1-carbaldehyde" . "-3.2" . "5.44e+02 g/l" . "70" . "InChIKey=DNVPQKQSNYMLRS-SOWFXMKYSA-N" . "ChemAxon" . "2" . "5.28e-03 g/l" . "OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O" . "1" . "0" . "ALOGPS" . "InChI=1S/C44H38N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-46,49-60H/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-" . "4.19" . "3.33" . "InChIKey=WCUXLLCKKVVCTQ-UHFFFAOYSA-M" . "(3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol" .