FragFp Docking Pose Structure ID Parent ID Run Generation Parent Generation Child No Fitness Docking Score Docked Protonation State Molecular weight Molecular weight Fitness cLogP cLogP Fitness Mutagenic Tumorigenic Reproductive Effective Irritant Nasty Functions Smiles :UvzntpdRgqWoAiIw0dXOLHkJOIdY90ZMnV7NXVIOlO6FKW0AC01a4Jx@cd1DnF814ffgcL12B980J31WV0k0 #q\KTbl\E[pCp|H]^WvY}QB_OAUutwVWqG^{AQEbqAYUT~YXe{N?]cvY]nOFKYGk?gLWqFH_vG[Q@uMh}^nMtWl\bOZTCTmnZ~_R|yzkBarbEdWqtU{fqMt}BUsUKKFNSbKNVanEGJlby?lt]|BSdZVPwon|AF_jbn@@BKhQ{zY~x~ydUXrRvrOJ@s]k[vmsye[]WucBySnoK?LI~fZxkl|DEfUAdQNWYwu^dINWqwrtamQ`}F\YT^CCFSEDZIBKwFhiPcb{@^s[ODUMBA?w@jqeaVjxbhAaGfoSSFBz~~zRvjKgil\Ri}CfktxVm\TUEQMKWm|XXcJjj_omFKK?K`tlb]Lruiy\jmNpTUtyhUXcGlGEzmbgT[}cCLAv[Q{R?|Mnko^TwSxEzjSUZl?oNLYkNnerkVNdW}SwiR@yzRkDgVUG`Vr_xVToyS{NPCDSXVSHtD@evY_p{qJqfyTHTm`aD]AlgxZXaky_GQZ|GqGAZqSBqfRtm`J[L^rY[]EMsva{q@@rT~FEQCybZv~zjX@N@A}@D efUZL@@NKNmdPDflbbbTQbtTRbRfbQVVfbsGDbeRuwqMKPLAUMMSAPPDADBFdjP@ 7890 1 20 10 0.89012 -124.97 efUZL@@NKNmdPDflbbbTQbtTRbRfbQVVfbsGDbeRuwqMKPLAUMMSAPPDADBFdjP@ 507 0.86936 1.9949 1 none none none none 1,2-diamino-aryl NC(N[C@@H](C(c1ccccc1)=O)c1cc(C(C2)=CCC[C@@H]2Nc(cccc2)c2N)cc2c1NC=CC2=O)=O :UvTntpdR4qVJAiIw0dVNHmWJ8G8Y90ZMnV78XVIOk96GKV0A501X4J_N8c1TnF814deZcL12B9N0J21WV0k0 #qmkW@rU@[qtIK?`]WE^?Jz]IAOew@BYWGos@U]jo~lgWajQNG~H?hvZonx~KE_iuG?ZJWHWqGRu@^cbPAvauStVIO{tCX[cParJ?jAfHaI[{PG}oe~mJ?LphUwfIjfO@jTiUmzDjVgHxPL|Q|cqd]vQro@@BlxZSabBFijjgDxiWH\of{imZ[uqxebKWwsGQSkWKLOikpGNdg^]dwFvfQ~XbwkDRYbgkVz}VMsKFS@GPw@fqCv[@Bf]@ZJCgbpDKnBAKCwIO\@iK?hgID]|tev@fjvoTNPRPlC^kosoLLmNo`JR`Qw@u_WenczJki@ZYsC|kTdhZ]sZuf{VPEJJf]CcRTOMdLgAjMKU[?\s|e@`ZS?AImKDm]wkMqCKI^~bn]AGiD_V|RS|ewuEBVhAVHM^k\J?Z_rqsYfLVgphR]JAYaX[gtYDfszZdkZ^E^V^vkRFjPtthynIoxKoV^jIXTzohsokRFrU}FBdU[SFYFp^jJjhT|dzjX@N@AC@D eb^RB@@NKFc`ODjlbbbTQbtTRfTtQRVtRSGDbfurNKPLAUMMLDBUMPJFd^`@ 3768 1 18 13 0.87844 -109.41 eb^RB@HNKFc`ODjcirJJIQFKQQJYSQEI[QIL\RJ[WHxm@pETttpPITu@hZQzP[H 482 1 1.262 1 none none none none imine/hydrazone of aldehyde NC(N[C@@H](C(c1ccccc1)=O)c1cc(C(CCC=N[C@H]2C=CC=CC2)=O)cc2c1NC=CC2=O)=O :UvTntpdR4qVJAiIw0dVNLmWJ8G8Y90ZMnV78XVIOk96KKV0A501X4J_N8c1TnF814deZcL12B9N0J21WV0k0 #qyyUrJYv[s]rKh_pWbi}?RZNQ^ztjBXwgAC@XShZ^NaWdj^Vg?h?TF_m~YWpFP_FGhopE`S@GD}@}CkcnW@u~L^ToeL@Xslk^Hd~EZonqMfGkg|Pe@^IX~]]sgiJall`XDiVeA@nrsZzitso\lIgCnSao@@BYSeyasq{ieiPxkywR_IySKayV}yxEmtVGCHfs^ekalFOU@ugV~T\wyyeE~YtwvBBvwjRajDWo}NTsczJv}@ojnPV_j@AbtNE@AFCsNwSzEloxDvzIZBHZuXdJlENJOM[bMnMPCJtjwc]lYUjCSi~twAo?BVAqUKUy@XXSB[Hm`^tsRsJT|j|]?puSQ\x}qpf?{Ui\lJU[]B~vAsj\t^XtCmiA`t[MsTDlR_UKb^Wcg@kfVFYI@yAbRYEwEAGVq@UFKeOKcJWN?HhrsUxQZwtYCuex`bC]HLiLHqvUUreBF\PkzCRpx]SQ@DlUlSvzV`fkT[X[XARWXZYYPEEqoVD|lIGQGLNm_{Z?]l|TykFAmJwzxzkX@A@Ac@D ejQRB@@NKFg`ODjlbbbTQbtTRfTtQRVrbRXxdTvnqIZA`Jiii``ajZ`TMI}@@ 3769 1 18 10 0.88314 -110.91 ejQRB@HNKFg`ODjgirJJIQFKQQJYSQEI[JIIcbQSZ{DehF@jfffBBFijAPtgt`nP 496 1 1.7164 1 none none none none imine/hydrazone of aldehyde NC(N[C@@H](C(c1ccccc1)=O)c1cc(C(CCCC=N[C@H]2C=CC=CC2)=O)cc2c1NC=CC2=O)=O :UvTntpdR4qVJAiIw0WVNHmVJ8G8Y90ZMnV78XVIOk96GKV0A501V4J_N8c1TnF814deZcL12B9N0J21WV0k0 #qtAUq|\D{YwqZsjVWzN?O~VoaKJw_rZygoWCmile^GUWRdWkgtx~fZTK~ChJt[jQG?_q~GazGH[BuykZ^HxuKZXgOZLBrYlI~sb~^njAq~HEtwpEy`UJB}`wP`SVBNGbZvby?xtwloFdciYLo@@AX@Z?~eCzXAnqxQFwgHjVK`OxiSvairEd|[IQkoOKbW@@{|aewy\IWU~dRE\IWuYRsPb`n[qgikBzkQmss~jNxy^EihJgfoF@NyW|I{YPsHodZqcQa?MJ|]v`@[T[ftdwKDWal{Ehc}m@LianvbX^qJ^UZrYScu{HzwnoSkPh}|lV}LrkSp{NUCpxKKNbMxDv}M^[MkGflSDcZZMeDHtURqxXziiqtcDXwj~AQqJnz_hRa`Zk}jc{]WkZHOVs|tbDOYF?N?fUnXV]Ki_{qFs?qnRgrXoiCMVXXfk}czlgb~VMKTLWIUPklCOOrZdDQBvXN?e}kT]xyZtifcNDkEDDvM@pVi^@vmRHJrdgRMZkX@F@Ac@D elVRL@@NKJm`HblbbbTQbtRTRfbJRvbRXxdTVNaQZA`JjffBAJfhECRWP@ 3787 1 18 15 0.87644 -108.78 elVRL@HNKJm`HbmirJJIQFKQIQJZHiKZIIcbQQXzEEhF@jjZXHDjZ`TMI]HEd 468 1 2.1503 1 none none none none imine/hydrazone of aldehyde NC(N[C@@H](C(c1ccccc1)=O)c1cc(CCCC=N[C@H]2C=CC=CC2)cc2c1NC=CC2=O)=O :UvyvxpdR4qWofiIw0dVNLmoJNGcY10ZUnV78XVINk96GKW0A501X4JpN8c1DnF814feZdT12B980J21WV0k0 #qLWU?t]U[P`KSdXjwh}?{XWhapGw?BZ@gXECDcaVAl?U?jS@g]l~PRV\^U|IjPQigtxHz@RDgmqCvCjk~_ItJtSgO@@A~kkg~}|?oreKaj}FHWsXel^HWaCEZH_rCIzJug^Un~L^RMKxVlvW\h^g@^_Z_ehBoEez~IzyhMeKXZMwOWJyS^A{mcphEphVg}N_sdJhD]iQPRQdm~^IwkAgnAPiwM{R]wIkfdpTU}OCskUqomKPcvBBQITEALPeJdM`JdOrCYekHHPI^ua~HzhfoXGcjnHtGWhSLQzhmCdxLJ]lM\Sqa~{V`rZzcwtjH?gGsOoKfBnI}\VwGqVB]|Pt_{MOFq|QSwhfn?[FpTYC[`EePl}gJY_YlGJomlOKrh{FEZQk_PeXujbljd_]Q|~XX`}pbjED`EHwVOrW\S[E\EuxKzpxYseet`jT}jy[S@Snt@teWF]Uk|HUCPPBklFjzRgdcgAysfrJiaynqMgBn}HX{PgY}IEdawRa|KjQ]|Rzq`fVkc_d|SIEayDYf|ZjlK`EtkNkThn[]iZkh@N@A}@D eb^RL@@NKFc`DjlbbbTQbtTRbttQRVtRSGDbfurNKPLAUMMLDBUUPTFd`\` 3868 3773 1 19 15 0.88135 -110.34 eb^RL@HNKFc`DjcirJJIQFKQQJKSQEI[QIL\RJ[WHxm@pETttpPIUUAPZQArvP 484 1 2.7982 1 none none none none imine/hydrazone of aldehyde C/C(\c(cc1[C@H](C(c2ccccc2)=O)NC(N)=O)cc2c1NC=CC2=O)=C\CC=NC1CCCCC1 :UvTvtpdR4qVJfiIw0dVNLm_J8GcY90ZMnV78XVIOk96KKW0A501X4J_N8c1TnF814deZcL12B980J21WV0k0 #qKCV}R_?[D[q]H_}WoK~|Z]^aCawKbR[gXYBWSaM~NEV?ZRagTZ}_J[O^fLIgOc}g~_stHSvgEnCtkn@~D^wXl[^o@@CBckanFa|DneDad?y|w~NUqOiNIFyZAmRE^qOY_iTPfB?joP{Y|xa|PkgEv[Z_GxaTRoAmDsyHaf{XJht^?NpkNmX?]v}expvwCM^SduPrLn\txyej^QKw^Iek^SgwDAsuYNEmfOTVCKzS{CKXCDpRGezUac|`WuWrdJ^vmVBQBVgJ|oqkEAlZebpLzFFqvzBmlW@fotvD_g[LgjkJsa{tIAmJjRIQ]MUSHXiS_dk[`[Csrhjvxov]znv[CQXuorTBO\O]@[YI]QnLFZkKXy`upjgy``ACccyJZ]sKqyTv{A}v}mi]?YxREBf]eBufdiVe^g@ldjJLpuNF[_[MjzbyeJV]`n\]_Ryd@UT{xbfDzV]k^LkjDcXMY~vtGRhJuaoH}luIULEtJ]Jd|^j`d|oeqFTwmO`nrT{I}of[TcRJ|POZKxhcsLuYgvyapQsDSZiX@N@AC@D ejQRB@@NKFg`ODjlbbbTQbtTRfTtQRVrbRXxdTvnqIZA`Jiii``ajZ`dMI}@@ 3886 3769 1 19 13 0.88612 -111.86 ejQRB@HNKFg`ODjgirJJIQFKQQJYSQEI[JIIcbQSZ{DehF@jfffBBFijBPtgt`nP 498 1 1.9918 1 none none none none imine/hydrazone of aldehyde NC(N[C@@H](C(c1ccccc1)=O)c1cc(C(CCCC=N[C@H]2C=CCCC2)=O)cc2c1NC=CC2=O)=O :UvTntpdR4qVJAiIwFWVNHmkJ8l8Y90ZMnV70XVINk96FKV0A501V4J_N8c1DnF814feZcL92B998J21WV0k0 #qibtgxPB[NvHcoePOKW}Zl]A~w_tXj\mGP]C]Im[aeBtbRTmGMZ|jrTWN@CJhGfgWrAHIOfrWCYBmYcJamGtVZT|O@@ApEllQMI~xQnIAJwyk_~UyxmJK}CFdMrsLE}MY~CWiJHUVrvzEdwmlZffjYPOo^nsdKYWDQ@ANCb[~y`DOBn}DOpujbd{{SKyGK{UisQeOKMT[On`AUn]FuReHeZVwFbeAeRfwxApE]AtM|~eZKCGkIzWwvFymSE@Dt^\vXTsB]HnenTsMMOwEd]AXl[zvj[UywmLLrDkg}fIL{sohdZLaQcWe~YACUvim?jeKBvkKLo\C[QybLe~shnwagRbEi`hG_NNulrN|rh@j}BdYp|{Be~dGAWOKHEURPpjrOVke\tOYMLXnoLz]f?jXmlcT@Uz?iRFsMiWTKAx~IgYioVV|hZFTiI{N\GyaV{hIvlgCHf`c^@gi~ZBkmymRCmoQ`?jdduAJsOdosKgUFzSYd[UvbrI?_BcYpzhh@F@AC@D eb^RL@@NKNe`DflbbbTQbtTRbRfbjRtrSGDbasrNKPLAUUMS@a@@PBFdLP@ 4802 4697 1 19 15 0.87514 -108.37 eb^RL@@NKNe`DflbbbTQbtTRbRfbjRtrSGDbasrNKPLAUUMS@a@@PBFdLTDr@ 480 1 2.887 1 none none none none imine/hydrazone of aldehyde CC[C@@H](CC=Nc1ccccc1)c(cc1[C@H](C(c2ccccc2)=O)NC(N)=O)cc2c1NC=CC2=O :UvTntpdR4oVJAiIw0WVNHmVJ8G8Y10ZMnV78XVINk96FKV0A501V4J_N8c1DnF814feZcL92B980J21WV0k0 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#qIXkFmZitzGxLnlQxAtJm}rLioKyhvRhwwiIV@xFD`Pj`NyruEwV_Q`Kp@@@c[kxaGmfmQVrW~EmJOUjjXqiwEJ^|jvH}pSFHVXtz@gQKinYI]xoiJ@wsYjaX@`tZiaqXuJaEoQcN[~eaMRcguQgqMYwgXAhaEKNBoRRJZgeSx^XSm|SisQSOSAZJ?Aaa[heML~eywBMdlTqSsGdZ|DrRKNBZmze|oBtdGIPcKK`JLDYX^CFcXWeMNG\vQEiH~MDc]PQXFRNSoXXWFOX|mTwuodFpbhX|FEe|DrWeTbI]hxdHF{zqvJYmCMfEpmjM@viMnhWPhr]uHerb\lvY_nvfn[qbHDyG}HQf~Vf@uCznaihNKVvBtJOsC^AFTpY}wD}rgyZF[hFTHtdRZyaqhzWc\bm}lcZFZ|lIUzUwuizLR|kRdwLETxT{VloSTtdvqP?sjMZ|sUqcR@nSHVwjF_SxOd?eiRfMlm|\o}dja`[tL|r~mS|NFqHI\Qa}YYtEcfR\SjL_Uh_mkEpFrSwJZwGD`qdm]}[|oDBMkvPpGoT^pkgP[MHuJrXkxvmrMmmEhSeAtog^X_QT`BUW[JVemvPl[cX~Bjj\@A`AQ@@ ej^\L@@CGhPDFLbfbTRbTRRRrNbRrRTrBJrZvNZZjB@HBH@JZj@Ph`L`p` 17706 2 17 6 0.92638 -124.95 ej^\L@BCGhPDFDNLezXYrJZIQJIQIIKHzIKIISHHkIkXyijhH@`H`@ijhABb@qCB^` 499 1 0.6035 1 none none none none imine/hydrazone of aldehyde CCC[C@@H](C=NCc1ccc(CCNC[C@@H](/C(\C(O)=O)=C\Oc2ccccc2)c2ccccc2)cc1)N >kqxieq_rCanwlgkEHXro9qPs1VZL38q46HGslF1pP4196F1Z084G9Z10@10VBKV02F56488BI!160Y0 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#qrR{ywKVL@oAc`ktnHH_Iy`^tH}[tGNRDoWS]TSqkZmoy^qV^~MIgeoSPCVbGPaH^TWlbsc~dy~`eh`X^I[OVT_ssOwRy|Tx[Wp[ncG[xBVla^qTQ@@@kclBNiCnEeeV[_QjN\KluHuulTA|^BWVLMhEP`KnQMcY{cfHEsOUl^B\?S[SjExi\hVew`vtiXGQvmeU~E`nH_eV|EnsHA{LpbT[[yMWorlskxrxDvjuXdR]Ys^uZ@TXfyzmSqbJ{nplj`HWa?fWO@zYxN{GcWrXDnpIchHUx?k~OPYVdcJAyrSEwsZ^S_]yp`qk\`XNMMoxBDLhhL?tFhyk][hJts[WacHti]pKuTQTCGtFaXg^CDgRgrhZ~vJUYA]xLwNU\MC@qNoJALubY~rVSBYGTmKJP?ZtMyR[CP^kd_dNYPz}nrChnlV^kDCRPceUvaoTCOGTzxEF}WneknSpZPh~InzM}_Ui^RtqzjdYYPoU~w[amIXhAH`obSoLrE]eFZRoPLW{ZupGNKC^mcPV~mmKTXr[{p_?d\GVm{JOEmxkaxpEzYYet_bX[KMY{x|SmuZiT@Q@@L@@ ejQTB@@MH`NcklbbbbbVarRtTTRRbubRxdTLV^qIZBbDjjhJBX`@`LLDeBi@i@ 21996 2 24 11 0.93592 -128.11 ejQTB@LMH`NckmIbf{lbbbbbVarRtTTRRbubRxdTLV^qIZBbDjjhJBX`@`LLDeBi@i@ 498 1 1.739 1 none none none none imine/hydrazone of aldehyde NCCc1cccc2c1CC[C@@H](/C=N/CC[C@H]([C@H](C(O)=O)OCc1ccccc1)c1ccccc1)C2=O >ry:urxjxqnzpyREHXzohyqsGVD638q46HOkl01pH4W16N3Z284I5_10@60V8K!205B08843#a0IF #qwDkj]]zDr?yyZoRhKhHbo?kqmgJ_x_So^m`N\Psxc}m{\^}[LluUm`@@_wpHo?Sart[mUqqsOiH}mJTLnv]BO_`ZUHR{f[Bxr@jMesrrRVgt_ot?`MW}Ik`HjGW{ImuPu^@vxl`yfi[vI|zSDYXkquwcyj_~WQFzvIqtznuHhNfnojQ_{i@w_CRYdGiHfHJ|@Ds^UXY[]X`W`nBiAHcdpeJYlXpeU]Z{pKhmfF@|vxbBPjriHJcFo@^i@DYzZ@q\_IhnbLp\uxNmLCTyI|yqrBIJ`WbMEaDdQjM@x}SNSCrlW@eISAoyLYBjyBFL]N{mtljmDXp[bdOId{{~kwRN|m|YbCWp`xp]KT{hQwwny[dD~iSdzGXjHStDmZVJ]FnUi_LgmQQFRmGA[Dn]wSKnO[BM~mj@RwEjYTgzohXGEWfcYjWd^px^BsEb?Uw\HbJR`gYf\{x]EGwR~ir\Zagv|zlmpfJwIZ]chUuQAfElohJSNR^cOeSCboHiQ]EO|XOx~_b{MleqwhN_X\LC^awe{GGEkeQjskSU|qzPdqW\XQeAMAmr_Zj\@A`Ai@@ ejQ\L@@OHdPDBLbfbTRbTRRRrNbRfRVRBJrZvN~AZjjB@HBH@@Bf@DLEPhDT 22244 2 29 3 0.9469 -131.79 ejQ\L@LOHdPDBDNbeF\bfbTRbTRRRrNbRfRVRBJrZvN~AZjjB@HBH@@Bf@DLEPhDT 495 1 2.05 1 none none none none imine/hydrazone of aldehyde C/C=N\Cc1ccc(ccc(CNCC[C@H]([C@H](C(O)=O)OCc2ccccc2)c2cnccc2)c2)c2c1 >kqxieq_bSanwlgkEHmro9quv9V4L38qB6HGtlG1pP4196F5Z08_G9Z18@G0V8SX02H5D0B9BI0G960Y0 #quqj{AWkD[jDvBhBDXeqNm~YAtLhRRURO?HR|H_rDUNmi\]mKkevD?ilprBP_nrnqFaZdIrKShD[`CKUtRam@L}SfAwPZR]Tx~fhyI{VJAbg\wkxox^tBwb?hNQwzGfrXQWrm}DizMeZZnrLcoeYp^qpccQnuT|~VjSRjP]FxntdXWewOdBcCWK}QkHptJReko{XUaB}|K@PxWBsIjDR|gAxIJu[YIJWlO_RBzW\G\AaV[FTqMFrcnM@EjOJ\H_\oK?bIzVMT}yHojDqr@@@bHW\aKRhEL@xV{}taH}fvyxiC}Mya|TlblWSjGFFESDqMY[KxmkOSyQW~B}TIa[p@PdVIqUgQoTz}fqzarxSjGDzbx[FdCTTdKDyel^XC`oEBivLFGZHNUAFl}HGEawjKL~CZ`_F^wiQ[DuT{wcKtTE[ifxoNxoTseatlKk[zDuFmLOEtXyJ]LGucYew|aNyuk@xr``vCZTwSf]HCtv|NY}g@eO_N`ZkW`S|K~vKsoJNYqSpdSW`U[xUnKTP|]Odh[KIuIQeB{fGd^@ZMFWCKiChj{Uk|@VVgNdc\kgFiTf[CSUQy@QDNaZj\@F`Ay@@ ejQTL@@HbPDBLbfbTRbTRRRrNbRfRaRBJrZvN~AZjjB@DBH@Jjj@\LEPgi@E@ 22312 2 25 1 0.95532 -134.62 ejQTL@LHbPDBDNbdf\bfbTRbTRRRrNbRfRaRBJrZvN~AZjjB@DBH@Jjj@\LEPgi@E@ 496 1 2.9028 1 none none none none imine/hydrazone of aldehyde NCCC[C@H](C=CC1)c2c1cc(C/N=C/C[C@H]([C@H](C(O)=O)OCc1ccccc1)c1ccccc1)cc2 >rqzUmwfzxmYztmo8mrbTRluo4JjnG2LC62ONo8BWL40h01W12tJI4g_0H7V45Km!G4H!@0FV01a0n0 #q{PyQe^OGVwUuzdy{mps}muDq\ADm{\Ng`hsoQ^fXJur@y}AeWIAQhmHqoVuISmc`IEemIXs_qbRQFPld~UjzUKOtq[lyx|NzVZvmsEEsi}XVcyseyiBdLavysDwQ{mUHq|tmKkxh^^TeqSqWhNUgI]mWKpD@@BlVqaagWUGl[CnrxrHFwk[^sq^eF^[sOEAHt@SifWI[]|PQHgXv~vcAYi\cG`s?Q@vJL\TYLLWndC@mNUrf}|syEMLzt|r`uE_Z@W@?^WtfWzWoHK|ns_kSti}PssvNAedC~}X[vp{atcEUl{iRNZSx]jg^^GhorSwstcFUYE^andVIAdqtdu{?~zc^vupoHh@Yh@WK@zb}eDgKiL\fcfjJ_Wrbt?XLxQM{mwhi@d]ByiLK[XxVdST_HeF]aT{|fwMYLgVyyaH\^gP]nfgNCTW[bbhcljV{J~UfPnU]GhsTrZUMN]rsS|NXXQi|uaqZeVUjcHU]@vA]dT[?CCcUb]xxFjdtQKehel{kHoK|bq?aKymDMlJiUbX}Fs@QFqQzz[afZdKp@oAFriiKTbTcLGl~Gi|qQYgGIEs^SqTL}SD\ZXPIh_wNOjil@A`Ad@@ ebV\D@@NBe`DLbfbTRTTRRRbqarTRTLSVWPLKSUT@PAPTt@E@XTKqUQCBfP 27261 3 25 6 0.93699 -128.47 ebV\D@BNBe`DDNxdjUirJZIQIQQIIJKFGIQIPqMY]@pmMUPA@EASP@TAaPoEUDLJY@ 483 1 0.6683 1 none none none none imine/hydrazone of aldehyde CCc1cccc(C/N=C\[C@@H](C)[C@H](CN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)N)c1 >rqzUmwfzxaXzcmo8mrbTRGsY4JjnG2LC60ONo841M!h01W10toG4g_2H5V451m08G42!@0F019a0n0 #qGmZ^iXngzkWbvir{V}Pzms|qmQDQ}]nWlNsR]VjhdpJoU~lu@@B}bcn~TutQ]erP_BUFe^|_f|Pz|umB_uk\iOoLXwoGxvFzVvtVKDusvmYJs|`els`V[EZbl}w[ekIh\~wLMoMHGGg~ISOwIGgrIRswLDzYL@HCcBBUWX?nBSnEDroZG~[{cxWEEjrjOjSw[Mbe|gmaFFr]gMvTxDhMXDTUrvfFzJJ|wKplshXWYFkE|BYeTzL]dZGp\NkXRGlei{pJgblW`~eNLMRBlTJ_Ca~PTzNjWFgd^it}fnVCNb{d^s?QmNFML|jb]hPr}eZaMzYNslXkjWxF}EeZw{h]wWUCE_WPsUF|Rer]p`^Y{oejxvIm|lfAYMSfwNhjoTDbCKfQyo^daVYOkKfRcAOi{]BfciTXHcT}sg[afp{YFPivhoDJNgLuVokIO|kzlXMsEsFNnv`VJ{JYFbslL{W{]oet{ZgHNTckFxTtmX~stQiDL[msKZs_G_sV|FwwkeRL[qYMd|X]vXh`KRe|kLfyM@aj}jlmyRTIekK^gm|KUwkzM@DEaLZC[F[mRknE}j\nEKQqb`yq_qZFjr}Zo]JjC`yLZwMI]PafoQgruBWEvZil@N`Ad@@ ej^\D@@NBi`DLbfbTRTTRRRbqJRbbTjbZrzAaZZj`B@JBZ@`j@PhWdPpad 27370 3 25 8 0.92496 -124.48 ej^\D@BNBi`DDNxdjYirJZIQIQQIIJKDiJJIRjIkKhFEijj@H@hIhBBhABa^QCBFP 497 1 1.2483 1 none none none none imine/hydrazone of aldehyde CCCc1cccc(C/N=C\C[C@@H](CN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)N)c1C >rqzUmwfzxXXzcmo8mrbTRGsV4JjnG2LC60ONo841M!h01W10tJG4g_0H5V451m!G42!@0F!1a0n0 #qsckx}TEdRXdxqfyXwHsJewOqMBERMQEWKNszuY{XrSpcApIM_B@PbePaMavwYeGPldVEiX?oLjrcaRuXsMjbiDU\HaofhsIj`JwogC[sOuZ@SvBE@@BvEaciwWUueidhc[U]MfxhggfCYU]WFgg[YQcWVspkNxXbroJYTA|ZrzluDv@Z@eZQCwOyKFKd?egPnncGql\NyRRAndQKIuQFeFdJm}gCTLG^yBbPqWCZtPr@}DajZ_RQC@HZiJb@YTwZr]gj`LM~RUZ@xjxp?S[]@AzQ@{wXfg`}X|z~NuDQWvGxt}lRCjPsUd]ADMiMN[JS^\DiyMwa{OFmv}znt_drZexlMusFxk}YWoe@D{?MG\fMyO[ViAitWVBbe_[QlYO[^pZG{NBr[\NNgTMz|IW\DgL}SwXEz}`YjURAGgFq_AglB{bYTSFgOb?dBNNC@jA~tJJb~kLCFbVo}n{TXAe~^QMKVluEzS?LwLZ[?f?TzMTQ~`bsLtk_lx`YO|luqaayvNXnV?eAFuQfv\Sff_qOPfZFo]Jkj`nC_In|cdfY]JqhyZlZJ~Ma|^obEl{jnh]TAiMfjkIeLbrIMeuMBZj\@N`Ai@@ ebV\D@@NBi`DLbfbTRTTRRRbqJRbRaTSVWWpKSUT@PAPSP@U@HTKrHXPr@ 27459 3 26 11 0.928 -125.48 ebV\D@BNBi`DDNxdjYirJZIQIQQIIJKDiJIJEQMY]_@mMUPA@EAM@AT@aPoHaaCH 483 1 0.9044 1 none none none none imine/hydrazone of aldehyde CCCc1cccc(C/N=C\C[C@@H](CN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)N)c1 ?yzUqyvzxejzcuq9mzbURKwV4Kjnl2TA6VONoN45L1Hh29lW0tJO4g_0HZV4CWm!G42!@0F081a0n0 #qetkdER~D\{G`fhohHXpSCrNqrw{eMQSww[rWk]ohY~sZMtRuPPAKyeEQ@DuoacQ`iET`eXuoxRqQ@]NxEljpqAO\rwn]PtSJIewQcB|s?{YgKuFeqtTSJX}XVx@_RoqiIwUvYdAHukW[YfLHLZUeITKwaZWdIR{wGtYDmFAxwHRINxLQeSnQpy@jZ]YAsxheu[AHycL|@wSr]Hw}[jKQ]D|rLtFV|me`uNQ~AHmVjhTzDDS~nuCr^TOVo}POEOtVS}RrEA\VO}BR~UUVART@@MW^o[UqZjMc^JFO~rNakpD\d|mBFFQ|qj[a~AjNTTXKYfpNtdwyctVHduQMhHgSiAdfHJh]_VnbwtDITfwseshE{BBrEvLxk]Fz^mUzPmY]S@{ufuhyaLpJRl]qmXOfPjYnJAygu\jLp^[~L]l{LHU`j}qFN\U|mmbTZSdqN[mkIXe?ibDdxoIlrty^OOZb|Rm{yzKyR`WMlaykXpG|gqoONhznv}owYjpIQRZGVtJAlrQeF]pNd[rNoAtvH_t`shD\sjsdhhsvr^TuIooK]jj\@N`Ai@@ ebV\L@@NJm`DOLbfbTRTTTRRtVIRRbRbWQPtJKSUT@L@TEM@A@HTHIHXRr@ 28525 3 28 7 0.93504 -127.82 ebV\L@LNJm`DODNjgZ\bfbTRTTTRRtVIRRbRbWQPtJKSUT@L@TEM@A@HTHIHXRr@ 483 1 1.5303 1 none none none none imine/hydrazone of aldehyde Cc1cccc(C/N=C\CC[C@H](C(N[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)=O)N)c1 ?yzUqyvzxe:cuq9mhbURKwVCKjnl2TA6VNOoN45L1Hh29p_0tJOBg_0HoV4CWk!152!@0F181a0n0 #qSCZe~[mWU^TS|j^{Shq]]reqI`F{UZpO`WqRKZ[hy^sCEuRM@@BRihZQFrvMNaw`seUpe]X_xpsAqQSdptiQQLt|AcmDhtzJEfvLCJQshGZ_K~TeESdFH~utNvCqHcrAy[Ugig_poCTkincprdTCqV\OlDTrI^lO|XE@qN?xArbqB|iVZum\Xq~JxS[mKxpeKC@Jzi`}GCsEfI|RQTVyDdoho^aCzoQmXlKcnFIJ_PJM^CQJdMcAjeb]EPJJjI`JaRtF|I~UuXgRvAurLrZsElx@oaSnVBCNibtibcUCM|E`auDa^?{HTykBRBRgahiaqwkEndgSZfsaTgcyV\U@d|BMrOGHiBffUFjQ?WrbtNyClbEKZ}ho[NBrAvOx[Q_ZjqUa`dX}{P{\VxLyD`I~`erQioOmrhbAnj{HyQ_tqbfmfyeENwYRlUvDYlVAucdTAYfcvQX[Zleweex{}\ICtzFA]MLi^[^rIGkMuYGse@WAFeXLu?Seqfpuc`GV?ocxhlSd_f]YrceAXVQk_QTUGAZmkLofyibjq[i_lqVJS_gUSDtusiPgZS{E@jzUMkdDIjil@B`Ad@@ ej^\L@@NJhPDOLbfbTRTTTRRtVITRVRRRzJF^~ZZj`A`B`h@JZ@PhPRPphT 29658 3 31 1 0.949 -132.49 ej^\L@LNJhPDODNjfF\bfbTRTTTRRtVITRVRRRzJF^~ZZj`A`B`h@JZ@PhPRPphT 497 1 1.9459 1 none none none none imine/hydrazone of aldehyde CC/C=N\Cc1ccc(CC[C@H](C(N[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)=O)N)cc1 ?qzUqwfzxejzcnq8mzbURKsV4Kjnl2TE6VONo841L12h09lW0tJO4g_0H_V45Wm40G42!@0F081a0n0 #qYFxLQSqW}sVOjlm[LNr~Sx{qskyRyXTO[RJiw\XXOhIOy|[u@@CPCdGaQbwxnn}PfaVOySSoRJpcZZLdDzhYAOw|Ysog@?lJozwhSGNsCOYKsxWEnKdso_kTjEBc_GM~[@umQiDhzWVsqd[HCDTEIZYwrdWxI]EwgLDL]@@XgoCOxvZnOMlE`zQJS[X`srCEB~a[dl{]g]r]cLqJ_Mz?PijpNhprJHv~c@aG@SIrwyW`rGxUXQpmvJvnKEqmnH@^WsWyjC_UgeBAhPTR`EpLyHyFB{U?lfICKKEd^|oaOxEptuxb~LQdejIaqGkbsbxKWfs~liWyFdVttzsurgGMiLCfSfk?oYVbnMzIxgxsLgjJkJHJBfM~K]WZFIVRplO]RDyIfvcY_UrwXib~?}MW\o`aqHGbmYyL{][t|RoDu]EtjtrUTBTrUc[TVeg~NREkZFZ^N]d[A]pDElyM|uhZ?QIBKNl[idXfRGhQryzz`Zm@gkhe_hUA]HDEeGHICJC^|hXFFqSvivg^iNvqO[Q^B]pZ`ZkL@J`Ax@@ ebV\L@@NJe`DOLbfbTRTTTRRtVIRTRTJWQPpLKSUT@L@TDt@D`HTHIHXTr@ 30120 3 26 16 0.92992 -126.12 ebV\L@LNJe`DODNjeZ\bfbTRTTTRRtVIRTRTJWQPpLKSUT@L@TDt@D`HTHIHXTr@ 481 1 1.4349 1 none none none none imine/hydrazone of aldehyde C=Cc1cccc(C/N=C\C[C@H](C(N[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)=O)N)c1 ?wzUoxfKSeezcmX9HhhTNGsV40jIG2M960NNoBZ1LV0f80fV0KJn0g_GH4V551W04K52!P0F080a0IV #q]WxJy\iGo|TkbnB[@]QgiqsIY^E~SSsGHLszAZ{hImp|QprUodaGkMI^b[tup][P}meTMYEoo`svBWfXi][PKDDTPxmwBtJfVRw]WKssZe[wC|_Ycj@rVUyyG]u@gmXxONvu`UtXLcfAUVjWWKfyyPRW_h[kez^uv]`NPcen|CMlJsZVxUYa]|uYvwBX`RkIPRPJXvDuytymxFAr@@AwQaWaC]CmUc\RoWS`?@HeEhar]h|BHXzsDBMrUxKHMhFxuVwfaDJuzzzpJJPJTVz}rG\JaVv?I@TMGUtiacFCIukmRtZiGnEhTvCRcrQEciBAi`iXdYbSeUfqMIca\\Gn}LVJYIWgG_XRS]sr?OIQ@^dK`xz}JxgneG@vdAiE[WwBOKXeOBQBt`N{Pq\vFAUbdaO]YwZtZqBisJvmh{AqwyTa@Zht]^e^AXZKbyj_\uaECAEW_GbCM@OOuhUB^L{e[FqmLYiEmnutqeKlP{WE_Z{niTpl]MDzJiQKxLyZ?Re|~yqd\VE]mBjep{OjfdwLDYGS[WJrse]lfiW[gG~e_a{_mN[ZhFjl@A`AD@@ ejQ\D@@NBc`DLbfbTRTTRRRbvTjrRbRbZrzFfqIZZj`B@IBjf`@AHJDaaGP 33611 3 30 12 0.93308 -127.17 ejQ\D@LNBc`DDNxdz\bfbTRTTRRRbvTjrRbRbZrzFfqIZZj`B@IBjf`@AHJDaaGP 491 1 2.8198 1 none none none none imine/hydrazone of aldehyde Cc1c[nH]c(CN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)c1C/N=C/Cc1ccccc1 >rozUkwfShqmzckVcHr5TRGwbC0jII2L960OOo941MF0c!_02lpIBh5@HHV051q0434H04A0N319a0n0 #qDvxh~RdgzmTmRaFkntpCMxlYYrGpM\rWGApP}^XXocqGE}buNpAtRgKAruwUMiwPojU`eZWOx^Puw[Ilz_jaIJSl?~l^dsMZJLvy[@rsDgZE}tBEqRBjl`DaHFu~cdvhxFt[MfNhVggFI\wWPWd_qVoWoNXSxCObsno\xyiZE]X^]}@EbSwZiIrc@@Cb~oNNLOhNLFjvPIPhBt^ai]@QN`TnssBb^iznuYRprx\QQf[M`JpNYhBKibT~[wX`nkC`xhi^MlJP{SjfqNvZdGAupdo~gMXbNNhswZuhFfaCxjzAvvJQbDDJd}vb@nSSUhjQEFXFHZrKttExMFUvQKeqpQRTxgz{zt|yaor?PiHYUsgoXyCMzHgpeEvVLUjjwUqbUHXA?jmkD~JyOTrjgfXigGARAJN~kRnfsNWbXfu]TxxeZ{hYVqUf?gxtHUTVccwttvg~N_OKmkhkGcSs_Yx~SIiZTrlq\YyQIlMy`hJ^@`fvfrIqD_qSPsOaF\q[ykVun|Nrde`ERGKjHpNefSX~[KmMcOEX_VfbkF{?|toJ|ev}\eJr[by|[ipdgTY]ScRTLvEJmL\UlHKMcZ\uGwL?^hIEDvJWJRdcXIkHW@tJSZhl@F`AD@@ ej^\D@@NN`PDLbfbTRTTRRRVtlRTrRRbjrZNnZZj`B@HJ@BjZ@PhQTPphT 35917 3 31 8 0.93384 -127.42 ej^\D@BNN`PDDNxgjPYrJZIQIQQIII[RqISIIJJkIhzyijj@H@`h@JihABaEQCBaP 497 1 1.1612 1 none none none none imine/hydrazone of aldehyde CCCc1c(C/N=C\C)cc([C@@H](CCN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)N)cc1 >rwzUkzvxhmXzcsZcLrrTRGwZ40jIG2LO60ONo841MG0d!W02tJI4g50H0V051q0494H!@0N!1a0n0 #qV~i]UXgdN}DqQoQX^Tr]MtAi|LFV}QGgiesb]WuXNHKaiuAUBTC?zgUQKFuZMllP}@UqYVFopYRzG^`lm_iyIIu\ivnaD{wjcLwo[EAsAsXx}ruEAEA~XiqaITuv}lAhrbuMMi\XC{fsiSkWOKfZiW`wq[Q{q_sxllmgxsUZqaZH]}fEKhwongnp~vB~|nHQL{ZdDFvr@@AmQlmnsv[|pK[yx_z{eFZtVM[TIeMwW^YS\COYtEXY|LTEo{XtYaXoLsy{I@CdWsCEFmfFSbsb]\~|DigD}q{RJZvRzl@Cl~xDv{[arvE^dxYbz|QhukNAwR[cTS]KGKzHeNwNZ@WLocNTo}xCVvVYVgp[pnly~ke@XvCm[`dIEIRVO~hWwPjbXeF^I@`Ab^j|zVRKGHXTgFcRXLOe{^yFCfTShok]m{YbZ~pYgszGN~`~j^WBSkBtsadZNT~Kz\g|uAA~VYJk|WrBRENzu\kvUzI@O_TZRQYM?ka[gaWx`m\mrjUFOjeTB@j]{S{m`LZyBTBTphgFZPkdIg{mPpoCC`y{Ue|[Dhx\UG~YBHuskKQYZaW\^RlL`AZUsCve@mPFVgsnp~YXpr^]ojlI|PPvVUKRbS|lDZi\@A`AI@@ ej^\D@@NNdPDLbfbTRTTRRRVtjRbRaRbjrZ~AZZj`B@HJj@Bf@PhQTPpdT 37163 3 34 13 0.92836 -125.6 ej^\D@BNNdPDDNxgjTYrJZIQIQQIII[RiJIJEJJkIkxEijj@H@`jh@JXABaEQCBQP 497 1 1.3588 1 none none none none imine/hydrazone of aldehyde C/C=N\Cc1cccc(CCC[C@@H](CCN[C@@H](/C(\C(O)=O)=C\Cc2ccccc2)c2ccccc2)N)c1 >rxzUkzvxhqmzcsZtLrKTRGwaC2jII2M960OOoN41MG0e!W42nJIBg5@H0V051q04A4m!@0N151a0n0 #qQfkaiQJd?CEvvflxgdqHE?dIkHEFeTtWTDIhKYAXjkr|axdM~\CcVak~[uvlelRpGUTBEYMOffsFcTuD]sjRyL?lV}n|HwPzrVwC[NmSFh{GC?oEwZB?ToS^wjtZmkRXRludUgkhXRVtq]]gdrTWaWQgpF{JpDpjFuliP{eZJ@{`}tMEs\f}cG{{yMB[~f]baSa^UeGsuhQHG@|r[|DOxEX~oO`vsVIjarQqOFjjJrQM@jJjEpSnGVOjhQD@@IlaCbRfDd`ZbFzExo@HN?hu^CCfs|[wUKZ[Hdt_BaSCt[zMNrfQVpFPT|obcmQPylSQvSkWr^}SAszmeAL~C]UGKdKtkIxQfvbIZeq^xm^YTOg_XwgMLkFfEDKf?ficgUWbQJkAT_@KC_HZK\IBkr[vWOuRLZMVk\DfoYVfXc\]qB{EZqyYabMX}oOB?QV|Cd}tMSf]v[HKGoxAYQisxZJZ@aBaTmLSZis^EoGJ[AyRIeZFh?pbFcdTJiXsBUh\\uGYwSLxza|ENAy~^qS~dzrkuP@FM]pb^nKM}@lhqnmEmkEKCE\~yTfYKPY\mKyVihedMmM`InfUtfK?A__]?EifkDkZqZh\@F`AI@@ ej^\L@@NNdPDH\bfbTRTTRRRVtjTRTrrbjrZ^~ZZj`B@HJh@Jf@PhQTPpdT 37187 3 34 12 0.93011 -126.18 ej^\L@BNNdPDHTNxgjTYrJZIQIQQIII[RiQISKJJkIi{yijj@H@`j`@jXABaEQCBQP 499 1 0.5587 1 none none none none imine/hydrazone of aldehyde C/C=N\Cc(cc(CC[C@@H](CCN[C@@H](/C(\C(O)=O)=C\Cc1ccccc1)c1ccccc1)N)cc1)c1O =nxztqao_HADmy0WXOHH0Z0F9Yd2ZLnV7CXZINkO6kM04@501Zk4h88d1TnF8W49DZeL10e9!421WV0k0 #qMpw[R]B[EjIROobO]i~_VQ}~fou^JX]GgCAyyglaclux\WxgNr??B\EnuEJBO`nWQ~JH_fDWveCHUiiAkEuaVX[waxA\uema^P~{LeUqJoE??}xisAhxnH\lmzTDNIDJoCrgE^I[E?axaZsL_NxYIaKXjqwNoEnsHFurD[MgHvanrfP~r~wVYCEm}s{cetWMyOIWIMHSzBtMbWbWebwXbZrWyWXjjK_BSvaqq^t}xSxoE?AMLFQv^hD|sM`bw_ONk]FBvG_|rAQjFiy\QqP?znE\zKFsv@pblOVsX]ZL_?HbCo{LBemrRTAaSoUhtWJcmrjh_aRKf{Hf^ofchdhvltXVqaXVcgokixuM~VS}zCYam^VL]Eln|^Bi[NMvqm[RUI[sGMAmTlg@H?rb|FFGZUCKMFV`{K|VCQIvY_vBKrEiMEBzUjkvx}Oj_QutmoBcmUTxgFXU?[zxRugenxvM@o~YRGrHrYYR\kDKh?qMTBZN@k~mdQW}LPnKlpy[\xduu[Oe|llajxrP}^a^lMGmcE^JE}sWAaURmjkh@N@A}@D ejQZL@@NKBck`HllbbbTQbtRRTRLRRbqbRXxdTv^qIZA`JjjZP`h`@`DMILhJd 3308 1 15 1 0.90689 -118.56 ejQZL@HNKBck`HlkirJJIQFKQIIQHqIJKFIIcbQSY{DehF@jjiiBBb@B@Ptdr`jP 497 1 2.4555 1 none none none none methanediamine N[C@H](/C=C\CCc(cc1[C@H](COc2ccccc2)NC(N)=O)cc2c1NC=CC2=O)Nc1ccccc1 :UvTntpdR4oVJADHw0WVNHHV40G9Y90ZLnV78XVINk96FK!A501V04_88c1TnF8149@ZcL12B980421WV0k0 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