debug db2 367 mol2 37 smi 3660580

FAIL DEADMO.xaa.db2.gz 8585

FAIL DEADMO.xab.db2.gz 8445

FAIL DEADMO.xac.db2.gz 8578

FAIL DEADMO.xad.db2.gz 8389

FAIL DEADMO.xae.db2.gz 8419

FAIL DEADMO.xaf.db2.gz 8530

FAIL DEADMO.xag.db2.gz 8485

FAIL DEADMO.xah.db2.gz 8405

FAIL DEADMO.xai.db2.gz 8523

FAIL DEADMO.xaj.db2.gz 8501

FAIL DEADMO.xak.db2.gz 8466

FAIL DEADMO.xal.db2.gz 8323

FAIL DEADMO.xam.db2.gz 8475

FAIL DEADMO.xan.db2.gz 8525

FAIL DEADMO.xao.db2.gz 8372

FAIL DEADMO.xap.db2.gz 8479

FAIL DEADMO.xaq.db2.gz 8394

FAIL DEADMO.xar.db2.gz 8347

FAIL DEADMO.xas.db2.gz 8372

FAIL DEADMO.xat.db2.gz 8564

FAIL DEADMO.xau.db2.gz 8482

FAIL DEADMO.xav.db2.gz 8592

FAIL DEADMO.xaw.db2.gz 8640

FAIL DEADMO.xax.db2.gz 8720

FAIL DEADMO.xay.db2.gz 8576

FAIL DEADMO.xaz.db2.gz 8488

FAIL DEADMO.xba.db2.gz 8446

FAIL DEADMO.xbb.db2.gz 8443

FAIL DEADMO.xbc.db2.gz 8560

FAIL DEADMO.xbd.db2.gz 8520

FAIL DEADMO.xbe.db2.gz 8446

FAIL DEADMO.xbf.db2.gz 8289

FAIL DEADMO.xbg.db2.gz 8405

FAIL DEADMO.xbh.db2.gz 8274

FAIL DEADMO.xbi.db2.gz 8368

FAIL DEADMO.xbj.db2.gz 8422

FAIL DEADMO.xbk.db2.gz 8342

FAIL DEADMO.xbl.db2.gz 8284

FAIL DEADMO.xbm.db2.gz 8352

FAIL DEADMO.xbn.db2.gz 8255

FAIL DEADMO.xbo.db2.gz 8306

FAIL DEADMO.xbp.db2.gz 8527

FAIL DEADMO.xbq.db2.gz 8364

FAIL DEADMO.xbr.db2.gz 8378

FAIL DEADMO.xbs.db2.gz 8428

FAIL DEADMO.xbt.db2.gz 8465

FAIL DEADMO.xbu.db2.gz 8390

FAIL DEADMO.xbv.db2.gz 8383

FAIL DEADMO.xbw.db2.gz 8266

FAIL DEADMO.xbx.db2.gz 8329

FAIL DEADMO.xby.db2.gz 8412

FAIL DEADMO.xbz.db2.gz 8432

FAIL DEADMO.xca.db2.gz 8527

FAIL DEADMO.xcb.db2.gz 8458

FAIL DEADMO.xcc.db2.gz 8514

FAIL DEADMO.xcd.db2.gz 8410

FAIL DEADMO.xce.db2.gz 8616

FAIL DEADMO.xcf.db2.gz 8488

FAIL DEADMO.xcg.db2.gz 8526

FAIL DEADMO.xch.db2.gz 8500

FAIL DEADMO.xci.db2.gz 8442

FAIL DEADMO.xcj.db2.gz 8354

FAIL DEADMO.xck.db2.gz 8499

FAIL DEADMO.xcl.db2.gz 8472

FAIL DEADMO.xcm.db2.gz 8519

FAIL DEADMO.xcn.db2.gz 8576

FAIL DEADMO.xco.db2.gz 8509

FAIL DEADMO.xcp.db2.gz 8379

FAIL DEADMO.xcq.db2.gz 8348

FAIL DEADMO.xcr.db2.gz 8457

FAIL DEADMO.xcs.db2.gz 8379

FAIL DEADMO.xct.db2.gz 8507

FAIL DEADMO.xcu.db2.gz 8480

FAIL DEADMO.xcv.db2.gz 8426

FAIL DEADMO.xcw.db2.gz 8254

FAIL DEADMO.xcx.db2.gz 8499

FAIL DEADMO.xcy.db2.gz 8565

FAIL DEADMO.xcz.db2.gz 8540

FAIL DEADMO.xda.db2.gz 8379

FAIL DEADMO.xdb.db2.gz 8332

FAIL DEADMO.xdc.db2.gz 8384

FAIL DEADMO.xdd.db2.gz 8359

FAIL DEADMO.xde.db2.gz 8416

FAIL DEADMO.xdf.db2.gz 8497

FAIL DEADMO.xdg.db2.gz 8354

FAIL DEADMO.xdh.db2.gz 8423

FAIL DEADMO.xdi.db2.gz 8582

FAIL DEADMO.xdj.db2.gz 8639

FAIL DEADMO.xdk.db2.gz 8576

FAIL DEADMO.xdl.db2.gz 8341

FAIL DEADMO.xdm.db2.gz 8364

FAIL DEADMO.xdn.db2.gz 8544

FAIL DEADMO.xdo.db2.gz 8402

FAIL DEADMO.xdp.db2.gz 8340

FAIL DEADMO.xdq.db2.gz 8524

FAIL DEADMO.xdr.db2.gz 8539

FAIL DEADMO.xds.db2.gz 8482

FAIL DEADMO.xdt.db2.gz 8517

FAIL DEADMO.xdu.db2.gz 8444

FAIL DEADMO.xdv.db2.gz 8403

FAIL DEADMO.xdw.db2.gz 8587

FAIL DEADMO.xdx.db2.gz 8439

FAIL DEADMO.xdy.db2.gz 8456

FAIL DEADMO.xdz.db2.gz 8604

FAIL DEADMO.xea.db2.gz 8529

FAIL DEADMO.xeb.db2.gz 8405

FAIL DEADMO.xec.db2.gz 8370

FAIL DEADMO.xed.db2.gz 8292

FAIL DEADMO.xee.db2.gz 8347

FAIL DEADMO.xef.db2.gz 8375

FAIL DEADMO.xeg.db2.gz 8450

FAIL DEADMO.xeh.db2.gz 8275

FAIL DEADMO.xei.db2.gz 8451

FAIL DEADMO.xej.db2.gz 8456

FAIL DEADMO.xek.db2.gz 8450

FAIL DEADMO.xel.db2.gz 8520

FAIL DEADMO.xem.db2.gz 8515

FAIL DEADMO.xen.db2.gz 8517

FAIL DEADMO.xeo.db2.gz 8504

FAIL DEADMO.xep.db2.gz 8531

FAIL DEADMO.xeq.db2.gz 8609

FAIL DEADMO.xer.db2.gz 8523

FAIL DEADMO.xes.db2.gz 8621

FAIL DEADMO.xet.db2.gz 8478

FAIL DEADMO.xeu.db2.gz 8501

FAIL DEADMO.xev.db2.gz 8554

FAIL DEADMO.xew.db2.gz 8480

FAIL DEADMO.xex.db2.gz 8456

FAIL DEADMO.xey.db2.gz 8503

FAIL DEADMO.xez.db2.gz 8480

FAIL DEADMO.xfa.db2.gz 8482

FAIL DEADMO.xfb.db2.gz 8539

FAIL DEADMO.xfc.db2.gz 8534

FAIL DEADMO.xfd.db2.gz 8452

FAIL DEADMO.xfe.db2.gz 8426

FAIL DEADMO.xff.db2.gz 8628

FAIL DEADMO.xfg.db2.gz 8587

FAIL DEADMO.xfh.db2.gz 8577

FAIL DEADMO.xfi.db2.gz 8539

FAIL DEADMO.xfj.db2.gz 8566

FAIL DEADMO.xfk.db2.gz 8607

FAIL DEADMO.xfl.db2.gz 8697

FAIL DEADMO.xfm.db2.gz 8652

FAIL DEADMO.xfn.db2.gz 8553

FAIL DEADMO.xfo.db2.gz 8548

FAIL DEADMO.xfp.db2.gz 8468

FAIL DEADMO.xfq.db2.gz 8547

FAIL DEADMO.xfr.db2.gz 8549

FAIL DEADMO.xfs.db2.gz 8518

FAIL DEADMO.xft.db2.gz 8577

FAIL DEADMO.xfu.db2.gz 8545

FAIL DEADMO.xfv.db2.gz 8542

FAIL DEADMO.xfw.db2.gz 8529

FAIL DEADMO.xfx.db2.gz 8523

FAIL DEADMO.xfy.db2.gz 8661

FAIL DEADMO.xfz.db2.gz 8584

FAIL DEADMO.xga.db2.gz 8594

FAIL DEADMO.xgb.db2.gz 8500

FAIL DEADMO.xgc.db2.gz 8544

FAIL DEADMO.xgd.db2.gz 8552

FAIL DEADMO.xge.db2.gz 8537

FAIL DEADMO.xgf.db2.gz 8593

FAIL DEADMO.xgg.db2.gz 8585

FAIL DEADMO.xgh.db2.gz 8752

FAIL DEADMO.xgi.db2.gz 8539

FAIL DEADMO.xgj.db2.gz 8582

FAIL DEADMO.xgk.db2.gz 8684

FAIL DEADMO.xgl.db2.gz 8484

FAIL DEADMO.xgm.db2.gz 8607

FAIL DEADMO.xgn.db2.gz 8717

FAIL DEADMO.xgo.db2.gz 8673

FAIL DEADMO.xgp.db2.gz 8809

FAIL DEADMO.xgq.db2.gz 8590

FAIL DEADMO.xgr.db2.gz 8558

FAIL DEADMO.xgs.db2.gz 8514

FAIL DEADMO.xgt.db2.gz 8487

FAIL DEADMO.xgu.db2.gz 8459

FAIL DEADMO.xgv.db2.gz 8397

FAIL DEADMO.xgw.db2.gz 8501

FAIL DEADMO.xgx.db2.gz 8535

FAIL DEADMO.xgy.db2.gz 8417

FAIL DEADMO.xgz.db2.gz 8367

FAIL DEADMO.xha.db2.gz 8414

FAIL DEADMO.xhb.db2.gz 8458

FAIL DEADMO.xhc.db2.gz 8493

FAIL DEADMO.xhd.db2.gz 8496

FAIL DEADMO.xhe.db2.gz 8598

FAIL DEADMO.xhf.db2.gz 8475

FAIL DEADMO.xhg.db2.gz 8554

FAIL DEADMO.xhh.db2.gz 8573

FAIL DEADMO.xhi.db2.gz 8559

FAIL DEADMO.xhj.db2.gz 8506

FAIL DEADMO.xhk.db2.gz 8583

FAIL DEADMO.xhl.db2.gz 8518

FAIL DEADMO.xhm.db2.gz 8522

FAIL DEADMO.xhn.db2.gz 8643

FAIL DEADMO.xho.db2.gz 8482

FAIL DEADMO.xhp.db2.gz 8672

FAIL DEADMO.xhq.db2.gz 8688

FAIL DEADMO.xhr.db2.gz 8573

FAIL DEADMO.xhs.db2.gz 8674

FAIL DEADMO.xht.db2.gz 8629

FAIL DEADMO.xhu.db2.gz 8691

FAIL DEADMO.xhv.db2.gz 8541

FAIL DEADMO.xhw.db2.gz 8477

FAIL DEADMO.xhx.db2.gz 8490

FAIL DEADMO.xhy.db2.gz 8291

FAIL DEADMO.xhz.db2.gz 8349

FAIL DEADMO.xia.db2.gz 8499

FAIL DEADMO.xib.db2.gz 8539

FAIL DEADMO.xic.db2.gz 8403

FAIL DEADMO.xid.db2.gz 8502

FAIL DEADMO.xie.db2.gz 8457

FAIL DEADMO.xif.db2.gz 8585

FAIL DEADMO.xig.db2.gz 8578

FAIL DEADMO.xih.db2.gz 8424

FAIL DEADMO.xii.db2.gz 8376

FAIL DEADMO.xij.db2.gz 8481

FAIL DEADMO.xik.db2.gz 8598

FAIL DEADMO.xil.db2.gz 8586

FAIL DEADMO.xim.db2.gz 8540

FAIL DEADMO.xin.db2.gz 8620

FAIL DEADMO.xio.db2.gz 8474

FAIL DEADMO.xip.db2.gz 8515

FAIL DEADMO.xiq.db2.gz 8435

FAIL DEADMO.xir.db2.gz 8593

FAIL DEADMO.xis.db2.gz 8566

FAIL DEADMO.xit.db2.gz 8550

FAIL DEADMO.xiu.db2.gz 8439

FAIL DEADMO.xiv.db2.gz 8645

FAIL DEADMO.xiw.db2.gz 8500

FAIL DEADMO.xix.db2.gz 8447

FAIL DEADMO.xiy.db2.gz 8417

FAIL DEADMO.xiz.db2.gz 8369

FAIL DEADMO.xja.db2.gz 8501

FAIL DEADMO.xjb.db2.gz 8418

FAIL DEADMO.xjc.db2.gz 8407

FAIL DEADMO.xjd.db2.gz 8585

FAIL DEADMO.xje.db2.gz 8610

FAIL DEADMO.xjf.db2.gz 8517

FAIL DEADMO.xjg.db2.gz 8754

FAIL DEADMO.xjh.db2.gz 8765

FAIL DEADMO.xji.db2.gz 8666

FAIL DEADMO.xjj.db2.gz 8513

FAIL DEADMO.xjk.db2.gz 8456

FAIL DEADMO.xjl.db2.gz 8496

FAIL DEADMO.xjm.db2.gz 8463

FAIL DEADMO.xjn.db2.gz 8471

FAIL DEADMO.xjo.db2.gz 8395

FAIL DEADMO.xjp.db2.gz 8471

FAIL DEADMO.xjq.db2.gz 8547

FAIL DEADMO.xjr.db2.gz 8397

FAIL DEADMO.xjs.db2.gz 8534

FAIL DEADMO.xjt.db2.gz 8346

FAIL DEADMO.xju.db2.gz 8400

FAIL DEADMO.xjv.db2.gz 8484

FAIL DEADMO.xjw.db2.gz 8503

FAIL DEADMO.xjx.db2.gz 8469

FAIL DEADMO.xjy.db2.gz 8483

FAIL DEADMO.xjz.db2.gz 8599

FAIL DEADMO.xka.db2.gz 8611

FAIL DEADMO.xkb.db2.gz 8277

FAIL DEADMO.xkc.db2.gz 8276

FAIL DEADMO.xkd.db2.gz 8360

FAIL DEADMO.xke.db2.gz 8341

FAIL DEADMO.xkf.db2.gz 8471

FAIL DEADMO.xkg.db2.gz 8394

FAIL DEADMO.xkh.db2.gz 8418

FAIL DEADMO.xki.db2.gz 8527

FAIL DEADMO.xkj.db2.gz 8691

FAIL DEADMO.xkk.db2.gz 8497

FAIL DEADMO.xkl.db2.gz 8647

FAIL DEADMO.xkm.db2.gz 8584

FAIL DEADMO.xkn.db2.gz 8602

FAIL DEADMO.xko.db2.gz 8613

FAIL DEADMO.xkp.db2.gz 8484

FAIL DEADMO.xkq.db2.gz 8472

FAIL DEADMO.xkr.db2.gz 8542

FAIL DEADMO.xks.db2.gz 8531

FAIL DEADMO.xkt.db2.gz 8516

FAIL DEADMO.xku.db2.gz 8446

FAIL DEADMO.xkv.db2.gz 8561

FAIL DEADMO.xkw.db2.gz 8589

FAIL DEADMO.xkx.db2.gz 8527

FAIL DEADMO.xky.db2.gz 8606

FAIL DEADMO.xkz.db2.gz 8708

FAIL DEADMO.xla.db2.gz 8519

FAIL DEADMO.xlb.db2.gz 8588

FAIL DEADMO.xlc.db2.gz 8604

FAIL DEADMO.xld.db2.gz 8423

FAIL DEADMO.xle.db2.gz 8599

FAIL DEADMO.xlf.db2.gz 8629

FAIL DEADMO.xlg.db2.gz 8549

FAIL DEADMO.xlh.db2.gz 8430

FAIL DEADMO.xli.db2.gz 8590

FAIL DEADMO.xlj.db2.gz 8641

FAIL DEADMO.xlk.db2.gz 8479

FAIL DEADMO.xll.db2.gz 8561

FAIL DEADMO.xlm.db2.gz 8613

FAIL DEADMO.xln.db2.gz 8484

FAIL DEADMO.xlo.db2.gz 8351

FAIL DEADMO.xlp.db2.gz 8347

FAIL DEADMO.xlq.db2.gz 8439

FAIL DEADMO.xlr.db2.gz 8413

FAIL DEADMO.xls.db2.gz 8721

FAIL DEADMO.xlt.db2.gz 8565

FAIL DEADMO.xlu.db2.gz 8548

FAIL DEADMO.xlv.db2.gz 8514

FAIL DEADMO.xlw.db2.gz 8515

FAIL DEADMO.xlx.db2.gz 8652

FAIL DEADMO.xly.db2.gz 8411

FAIL DEADMO.xlz.db2.gz 8339

FAIL DEADMO.xma.db2.gz 8387

FAIL DEADMO.xmb.db2.gz 8413

FAIL DEADMO.xmc.db2.gz 8489

FAIL DEADMO.xmd.db2.gz 8443

FAIL DEADMO.xme.db2.gz 8377

FAIL DEADMO.xmf.db2.gz 8524

FAIL DEADMO.xmg.db2.gz 8475

FAIL DEADMO.xmh.db2.gz 8462

FAIL DEADMO.xmi.db2.gz 8517

FAIL DEADMO.xmj.db2.gz 8555

FAIL DEADMO.xmk.db2.gz 8603

FAIL DEADMO.xml.db2.gz 8444

FAIL DEADMO.xmm.db2.gz 8546

FAIL DEADMO.xmn.db2.gz 8696

FAIL DEADMO.xmo.db2.gz 8700

FAIL DEADMO.xmp.db2.gz 8540

FAIL DEADMO.xmq.db2.gz 8579

FAIL DEADMO.xmr.db2.gz 8453

FAIL DEADMO.xms.db2.gz 8697

FAIL DEADMO.xmt.db2.gz 8604

FAIL DEADMO.xmu.db2.gz 8581

FAIL DEADMO.xmv.db2.gz 8580

FAIL DEADMO.xmw.db2.gz 8632

FAIL DEADMO.xmx.db2.gz 8653

FAIL DEADMO.xmy.db2.gz 8499

FAIL DEADMO.xmz.db2.gz 8669

FAIL DEADMO.xna.db2.gz 8568

FAIL DEADMO.xnb.db2.gz 8567

FAIL DEADMO.xnc.db2.gz 8583

FAIL DEADMO.xnd.db2.gz 8626

FAIL DEADMO.xne.db2.gz 8437

FAIL DEADMO.xnf.db2.gz 8525

FAIL DEADMO.xng.db2.gz 8611

FAIL DEADMO.xnh.db2.gz 8628

FAIL DEADMO.xni.db2.gz 8761

FAIL DEADMO.xnj.db2.gz 8674

FAIL DEADMO.xnk.db2.gz 8582

FAIL DEADMO.xnl.db2.gz 8600

FAIL DEADMO.xnm.db2.gz 8635

FAIL DEADMO.xnn.db2.gz 8540

FAIL DEADMO.xno.db2.gz 8388

FAIL DEADMO.xnp.db2.gz 8561

FAIL DEADMO.xnq.db2.gz 8515

FAIL DEADMO.xnr.db2.gz 8496

FAIL DEADMO.xns.db2.gz 8508

FAIL DEADMO.xnt.db2.gz 8595

FAIL DEADMO.xnu.db2.gz 8513

FAIL DEADMO.xnv.db2.gz 8612

FAIL DEADMO.xnw.db2.gz 8616

FAIL DEADMO.xnx.db2.gz 8438

FAIL DEADMO.xny.db2.gz 8620

FAIL DEADMO.xnz.db2.gz 8636

FAIL DEADMO.xoa.db2.gz 8528

FAIL DEADMO.xob.db2.gz 8593

FAIL DEADMO.xoc.db2.gz 3113859 numsmi is 3660580


FAIL DEADMO.xaa.mol2.gz 84837 numsmi is 3660580

FAIL DEADMO.xab.mol2.gz 169135 numsmi is 3660580

FAIL DEADMO.xac.mol2.gz 254573 numsmi is 3660580

FAIL DEADMO.xad.mol2.gz 337981 numsmi is 3660580

FAIL DEADMO.xae.mol2.gz 421792 numsmi is 3660580

FAIL DEADMO.xaf.mol2.gz 506648 numsmi is 3660580

FAIL DEADMO.xag.mol2.gz 591173 numsmi is 3660580

FAIL DEADMO.xah.mol2.gz 675508 numsmi is 3660580

FAIL DEADMO.xai.mol2.gz 760051 numsmi is 3660580

FAIL DEADMO.xaj.mol2.gz 844583 numsmi is 3660580

FAIL DEADMO.xak.mol2.gz 928956 numsmi is 3660580

FAIL DEADMO.xal.mol2.gz 1013590 numsmi is 3660580

FAIL DEADMO.xam.mol2.gz 1098765 numsmi is 3660580

FAIL DEADMO.xan.mol2.gz 1184061 numsmi is 3660580

FAIL DEADMO.xao.mol2.gz 1269750 numsmi is 3660580

FAIL DEADMO.xap.mol2.gz 1355294 numsmi is 3660580

FAIL DEADMO.xaq.mol2.gz 1441350 numsmi is 3660580

FAIL DEADMO.xar.mol2.gz 1526855 numsmi is 3660580

FAIL DEADMO.xas.mol2.gz 1611684 numsmi is 3660580

FAIL DEADMO.xat.mol2.gz 1697405 numsmi is 3660580

FAIL DEADMO.xau.mol2.gz 1782569 numsmi is 3660580

FAIL DEADMO.xav.mol2.gz 1867544 numsmi is 3660580

FAIL DEADMO.xaw.mol2.gz 1952897 numsmi is 3660580

FAIL DEADMO.xax.mol2.gz 2037645 numsmi is 3660580

FAIL DEADMO.xay.mol2.gz 2123074 numsmi is 3660580

FAIL DEADMO.xaz.mol2.gz 2207809 numsmi is 3660580

FAIL DEADMO.xba.mol2.gz 2292136 numsmi is 3660580

FAIL DEADMO.xbb.mol2.gz 2377588 numsmi is 3660580

FAIL DEADMO.xbc.mol2.gz 2463129 numsmi is 3660580

FAIL DEADMO.xbd.mol2.gz 2548669 numsmi is 3660580

FAIL DEADMO.xbe.mol2.gz 2633712 numsmi is 3660580

FAIL DEADMO.xbf.mol2.gz 2718006 numsmi is 3660580

FAIL DEADMO.xbg.mol2.gz 2803613 numsmi is 3660580

FAIL DEADMO.xbh.mol2.gz 2889642 numsmi is 3660580

FAIL DEADMO.xbi.mol2.gz 2975651 numsmi is 3660580

FAIL DEADMO.xbj.mol2.gz 3060992 numsmi is 3660580
FAIL DEADMO.xbk.mol2.gz 3112912 numsmi is 3660580