smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)C[C@H]1C#N ZINC000912535346 883994109 /nfs/dbraw/zinc/99/41/09/883994109.db2.gz LTDUOKQXVFNBOJ-LLVKDONJSA-N 1 3 281.360 -1.327 20 30 CAEDHO CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)[C@H](C#N)C1 ZINC000912535346 883994127 /nfs/dbraw/zinc/99/41/27/883994127.db2.gz LTDUOKQXVFNBOJ-LLVKDONJSA-N 1 3 281.360 -1.327 20 30 CAEDHO C#CCOC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977976 884079604 /nfs/dbraw/zinc/07/96/04/884079604.db2.gz YODUAOGOQZUCRG-SDDRHHMPSA-N 1 3 260.309 -1.351 20 30 CAEDHO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317068115 884171023 /nfs/dbraw/zinc/17/10/23/884171023.db2.gz REORXHBIYGIBNE-LBPRGKRZSA-N 1 3 293.371 -1.088 20 30 CAEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001321640273 884507215 /nfs/dbraw/zinc/50/72/15/884507215.db2.gz DEFKXGUWAPEDAR-LLVKDONJSA-N 1 3 268.361 -1.218 20 30 CAEDHO CN(CCNCC(=O)NCC#N)C(=O)CC[NH+](C)C ZINC001481276912 892592797 /nfs/dbraw/zinc/59/27/97/892592797.db2.gz HREVNUQZXSZANT-UHFFFAOYSA-N 1 3 269.349 -1.374 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O)CC1 ZINC001482799884 892708150 /nfs/dbraw/zinc/70/81/50/892708150.db2.gz SJZTYIWOJIZASJ-TZMCWYRMSA-N 1 3 297.399 -1.221 20 30 CAEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001490841534 893224313 /nfs/dbraw/zinc/22/43/13/893224313.db2.gz TUQUAUOFARMKGR-LBPRGKRZSA-N 1 3 280.372 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490857558 893225353 /nfs/dbraw/zinc/22/53/53/893225353.db2.gz OKIMHOWRFCMFIW-STQMWFEESA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490857558 893225371 /nfs/dbraw/zinc/22/53/71/893225371.db2.gz OKIMHOWRFCMFIW-STQMWFEESA-N 1 3 292.383 -1.122 20 30 CAEDHO C=CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497114430 893605687 /nfs/dbraw/zinc/60/56/87/893605687.db2.gz QOLZSWLYOJGBCA-VXGBXAGGSA-N 1 3 298.387 -1.693 20 30 CAEDHO C=CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497114430 893605697 /nfs/dbraw/zinc/60/56/97/893605697.db2.gz QOLZSWLYOJGBCA-VXGBXAGGSA-N 1 3 298.387 -1.693 20 30 CAEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001498104456 893654646 /nfs/dbraw/zinc/65/46/46/893654646.db2.gz DEFKXGUWAPEDAR-NSHDSACASA-N 1 3 268.361 -1.218 20 30 CAEDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)NCC#N ZINC000588746654 372880660 /nfs/dbraw/zinc/88/06/60/372880660.db2.gz FWJROGMPGRWDSD-UHFFFAOYSA-N 1 3 298.391 -1.239 20 30 CAEDHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843460070 582214401 /nfs/dbraw/zinc/21/44/01/582214401.db2.gz LJOBPBYJAMYKDP-NGZCFLSTSA-N 1 3 267.333 -1.686 20 30 CAEDHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CNC[C@H]1C#N ZINC000843460072 582214430 /nfs/dbraw/zinc/21/44/30/582214430.db2.gz LJOBPBYJAMYKDP-YWVKMMECSA-N 1 3 267.333 -1.686 20 30 CAEDHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843460069 582214509 /nfs/dbraw/zinc/21/45/09/582214509.db2.gz LJOBPBYJAMYKDP-KKZNHRDASA-N 1 3 267.333 -1.686 20 30 CAEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000304763138 656988167 /nfs/dbraw/zinc/98/81/67/656988167.db2.gz WLOCDRHAOHLUND-SNVBAGLBSA-N 1 3 296.375 -1.073 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291293 776774707 /nfs/dbraw/zinc/77/47/07/776774707.db2.gz OEEFEJBDJPCSMZ-NSHDSACASA-N 1 3 268.361 -1.218 20 30 CAEDHO CN(C)CC#CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001256585359 780625012 /nfs/dbraw/zinc/62/50/12/780625012.db2.gz QFUDOHOHYPDUPE-ZDUSSCGKSA-N 1 3 268.361 -1.083 20 30 CAEDHO CN(C)CC#CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001256585359 780625015 /nfs/dbraw/zinc/62/50/15/780625015.db2.gz QFUDOHOHYPDUPE-ZDUSSCGKSA-N 1 3 268.361 -1.083 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O)CC1 ZINC001278203279 780515459 /nfs/dbraw/zinc/51/54/59/780515459.db2.gz ZZRWHNJZUMZWAS-GXTWGEPZSA-N 1 3 297.399 -1.221 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)CC1 ZINC001278203281 780516229 /nfs/dbraw/zinc/51/62/29/780516229.db2.gz ZZRWHNJZUMZWAS-OCCSQVGLSA-N 1 3 297.399 -1.221 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)CC1 ZINC001278203280 780516291 /nfs/dbraw/zinc/51/62/91/780516291.db2.gz ZZRWHNJZUMZWAS-JSGCOSHPSA-N 1 3 297.399 -1.221 20 30 CAEDHO CN(CCNCC(=O)NCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468896 775250120 /nfs/dbraw/zinc/25/01/20/775250120.db2.gz DZTQFQSTJQLLNB-NSHDSACASA-N 1 3 281.360 -1.374 20 30 CAEDHO CN(CCNCC(=O)NCC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267468896 775250124 /nfs/dbraw/zinc/25/01/24/775250124.db2.gz DZTQFQSTJQLLNB-NSHDSACASA-N 1 3 281.360 -1.374 20 30 CAEDHO N#CCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474244 775986665 /nfs/dbraw/zinc/98/66/65/775986665.db2.gz KUSIATWPWJEJAA-GFCCVEGCSA-N 1 3 293.371 -1.326 20 30 CAEDHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155790282 776509745 /nfs/dbraw/zinc/50/97/45/776509745.db2.gz IZELJNCMDPGQBV-NSHDSACASA-N 1 3 281.360 -1.184 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435928 776620502 /nfs/dbraw/zinc/62/05/02/776620502.db2.gz JYAFTGCUQOSRAE-CYBMUJFWSA-N 1 3 280.372 -1.218 20 30 CAEDHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCC#N)[NH+](C)C ZINC001129947205 776636478 /nfs/dbraw/zinc/63/64/78/776636478.db2.gz OGWJVQPJMSTLFS-LBPRGKRZSA-N 1 3 283.376 -1.082 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992832 776755857 /nfs/dbraw/zinc/75/58/57/776755857.db2.gz GPCIGQBTSDKPLT-UHFFFAOYSA-N 1 3 280.372 -1.217 20 30 CAEDHO CC(C)[C@H](C(=O)NCCNCC(=O)NCC#N)[NH+](C)C ZINC001133415786 776777314 /nfs/dbraw/zinc/77/73/14/776777314.db2.gz OGWJVQPJMSTLFS-GFCCVEGCSA-N 1 3 283.376 -1.082 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823509 776789406 /nfs/dbraw/zinc/78/94/06/776789406.db2.gz ICFUYRDFMJQQBA-GFCCVEGCSA-N 1 3 280.372 -1.074 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823509 776789412 /nfs/dbraw/zinc/78/94/12/776789412.db2.gz ICFUYRDFMJQQBA-GFCCVEGCSA-N 1 3 280.372 -1.074 20 30 CAEDHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001133853231 776789575 /nfs/dbraw/zinc/78/95/75/776789575.db2.gz GFDPNXOILCDMEQ-NSHDSACASA-N 1 3 281.360 -1.326 20 30 CAEDHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001133853231 776789583 /nfs/dbraw/zinc/78/95/83/776789583.db2.gz GFDPNXOILCDMEQ-NSHDSACASA-N 1 3 281.360 -1.326 20 30 CAEDHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866533 776792460 /nfs/dbraw/zinc/79/24/60/776792460.db2.gz MPDLJQQNPVGDLA-MNOVXSKESA-N 1 3 281.360 -1.470 20 30 CAEDHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866533 776792469 /nfs/dbraw/zinc/79/24/69/776792469.db2.gz MPDLJQQNPVGDLA-MNOVXSKESA-N 1 3 281.360 -1.470 20 30 CAEDHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866535 776792484 /nfs/dbraw/zinc/79/24/84/776792484.db2.gz MPDLJQQNPVGDLA-WDEREUQCSA-N 1 3 281.360 -1.470 20 30 CAEDHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866535 776792492 /nfs/dbraw/zinc/79/24/92/776792492.db2.gz MPDLJQQNPVGDLA-WDEREUQCSA-N 1 3 281.360 -1.470 20 30 CAEDHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866534 776792984 /nfs/dbraw/zinc/79/29/84/776792984.db2.gz MPDLJQQNPVGDLA-QWRGUYRKSA-N 1 3 281.360 -1.470 20 30 CAEDHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866534 776792990 /nfs/dbraw/zinc/79/29/90/776792990.db2.gz MPDLJQQNPVGDLA-QWRGUYRKSA-N 1 3 281.360 -1.470 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151044646 779802162 /nfs/dbraw/zinc/80/21/62/779802162.db2.gz WPIAXLUBQBCKDZ-LLVKDONJSA-N 1 3 268.361 -1.054 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151044646 779802169 /nfs/dbraw/zinc/80/21/69/779802169.db2.gz WPIAXLUBQBCKDZ-LLVKDONJSA-N 1 3 268.361 -1.054 20 30 CAEDHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 ZINC001151049697 779802292 /nfs/dbraw/zinc/80/22/92/779802292.db2.gz WKNRXFUAUGMTQW-SNVBAGLBSA-N 1 3 267.333 -1.716 20 30 CAEDHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 ZINC001151049697 779802297 /nfs/dbraw/zinc/80/22/97/779802297.db2.gz WKNRXFUAUGMTQW-SNVBAGLBSA-N 1 3 267.333 -1.716 20 30 CAEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791592 779877315 /nfs/dbraw/zinc/87/73/15/779877315.db2.gz XMCJQOCFUIETTM-GFCCVEGCSA-N 1 3 280.372 -1.074 20 30 CAEDHO N#C[C@H]1CNCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157981308 779922481 /nfs/dbraw/zinc/92/24/81/779922481.db2.gz ASIUXMMLLDLONM-IUCAKERBSA-N 1 3 257.363 -1.670 20 30 CAEDHO N#C[C@@H]1CNCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157983209 779923752 /nfs/dbraw/zinc/92/37/52/779923752.db2.gz YSWGEJYRAUAHAF-GHMZBOCLSA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCN1 ZINC001160652371 779973861 /nfs/dbraw/zinc/97/38/61/779973861.db2.gz CCNCXVGQOPRCHD-MNOVXSKESA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001160877747 779985543 /nfs/dbraw/zinc/98/55/43/779985543.db2.gz BTOCOMFJNHCKHJ-IUCAKERBSA-N 1 3 258.347 -1.243 20 30 CAEDHO N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160933334 779988029 /nfs/dbraw/zinc/98/80/29/779988029.db2.gz JIYJTVLZEKPIPI-NQBHXWOUSA-N 1 3 264.329 -1.064 20 30 CAEDHO N#Cc1c(N)nn(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1N ZINC001218661170 780179629 /nfs/dbraw/zinc/17/96/29/780179629.db2.gz WYLPJRHTBYNOKE-JMCQJSRRSA-N 1 3 275.316 -1.242 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220036356 780295466 /nfs/dbraw/zinc/29/54/66/780295466.db2.gz NECDLAKRWFMXMF-VDDIYKPWSA-N 1 3 287.385 -1.227 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220036759 780295831 /nfs/dbraw/zinc/29/58/31/780295831.db2.gz VEEPGGZMIKOEGF-DTWKUNHWSA-N 1 3 275.374 -1.099 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220036160 780296648 /nfs/dbraw/zinc/29/66/48/780296648.db2.gz KSWKYMBPIWNYTB-SFYZADRCSA-N 1 3 273.358 -1.617 20 30 CAEDHO C[NH2+]CCNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1 ZINC001220054657 780299466 /nfs/dbraw/zinc/29/94/66/780299466.db2.gz MGGHOBADMZVNLK-SFYZADRCSA-N 1 3 265.335 -1.971 20 30 CAEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220498480 780354214 /nfs/dbraw/zinc/35/42/14/780354214.db2.gz HCBQMBWMWPDUFP-GBIKHYSHSA-N 1 3 280.328 -1.243 20 30 CAEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220498687 780356005 /nfs/dbraw/zinc/35/60/05/780356005.db2.gz JVHDJYSHWKJBLW-RKDXNWHRSA-N 1 3 266.301 -1.633 20 30 CAEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889935 780394393 /nfs/dbraw/zinc/39/43/93/780394393.db2.gz QWXYJHAUWROACP-BBBLOLIVSA-N 1 3 291.373 -1.439 20 30 CAEDHO N#CC1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001220966665 780400281 /nfs/dbraw/zinc/40/02/81/780400281.db2.gz AMPZOKHPRUCOJO-JTQLQIEISA-N 1 3 264.329 -1.016 20 30 CAEDHO N#CC1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001220966666 780400813 /nfs/dbraw/zinc/40/08/13/780400813.db2.gz AMPZOKHPRUCOJO-SNVBAGLBSA-N 1 3 264.329 -1.016 20 30 CAEDHO COCC#CCNCCNC(=O)COCC[NH+](C)C ZINC001147848122 781523027 /nfs/dbraw/zinc/52/30/27/781523027.db2.gz GCCGQHRPJGQYSZ-UHFFFAOYSA-N 1 3 271.361 -1.080 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841815 781523183 /nfs/dbraw/zinc/52/31/83/781523183.db2.gz IWZPTYYKSWCUTJ-UHFFFAOYSA-N 1 3 286.376 -1.427 20 30 CAEDHO N#CCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970284 781525322 /nfs/dbraw/zinc/52/53/22/781525322.db2.gz FWIRNBCBYRBFQF-UHFFFAOYSA-N 1 3 279.344 -1.572 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000062 781527370 /nfs/dbraw/zinc/52/73/70/781527370.db2.gz JOVGNCOURSFLDK-GFCCVEGCSA-N 1 3 292.383 -1.074 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049836 781696085 /nfs/dbraw/zinc/69/60/85/781696085.db2.gz ZUDSGVAGFWFQRK-NSHDSACASA-N 1 3 266.345 -1.607 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049836 781696088 /nfs/dbraw/zinc/69/60/88/781696088.db2.gz ZUDSGVAGFWFQRK-NSHDSACASA-N 1 3 266.345 -1.607 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064428 781701162 /nfs/dbraw/zinc/70/11/62/781701162.db2.gz BKBSWWWGENIKGX-RYUDHWBXSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064428 781701170 /nfs/dbraw/zinc/70/11/70/781701170.db2.gz BKBSWWWGENIKGX-RYUDHWBXSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408428 781785106 /nfs/dbraw/zinc/78/51/06/781785106.db2.gz TUQUAUOFARMKGR-GFCCVEGCSA-N 1 3 280.372 -1.122 20 30 CAEDHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001185385265 781785597 /nfs/dbraw/zinc/78/55/97/781785597.db2.gz NQKJLLCLRLYFGV-LLVKDONJSA-N 1 3 281.360 -1.232 20 30 CAEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818391 781830593 /nfs/dbraw/zinc/83/05/93/781830593.db2.gz OKIMHOWRFCMFIW-QWHCGFSZSA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818391 781830606 /nfs/dbraw/zinc/83/06/06/781830606.db2.gz OKIMHOWRFCMFIW-QWHCGFSZSA-N 1 3 292.383 -1.122 20 30 CAEDHO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835201 781831177 /nfs/dbraw/zinc/83/11/77/781831177.db2.gz REORXHBIYGIBNE-GFCCVEGCSA-N 1 3 293.371 -1.088 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644088 884058517 /nfs/dbraw/zinc/05/85/17/884058517.db2.gz UILPGHFCQQCZEJ-VXGBXAGGSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127644088 884058532 /nfs/dbraw/zinc/05/85/32/884058532.db2.gz UILPGHFCQQCZEJ-VXGBXAGGSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCOC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977968 884079266 /nfs/dbraw/zinc/07/92/66/884079266.db2.gz YODUAOGOQZUCRG-GRYCIOLGSA-N 1 3 260.309 -1.351 20 30 CAEDHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317296611 884189821 /nfs/dbraw/zinc/18/98/21/884189821.db2.gz 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C=CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497114427 893605335 /nfs/dbraw/zinc/60/53/35/893605335.db2.gz QOLZSWLYOJGBCA-NEPJUHHUSA-N 1 3 298.387 -1.693 20 30 CAEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963088 893646244 /nfs/dbraw/zinc/64/62/44/893646244.db2.gz PAKJYLICLBAYIB-GFCCVEGCSA-N 1 3 292.383 -1.074 20 30 CAEDHO C[NH+]=C(NCCN1CCOCC1)NC[C@]1(O)CCN(C)C1 ZINC000262298792 330004859 /nfs/dbraw/zinc/00/48/59/330004859.db2.gz NEHPYQLYAHCCHG-CQSZACIVSA-N 1 3 299.419 -1.450 20 30 CAEDHO CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)C[C@@H]1C#N ZINC000912535492 656262559 /nfs/dbraw/zinc/26/25/59/656262559.db2.gz LTDUOKQXVFNBOJ-NSHDSACASA-N 1 3 281.360 -1.327 20 30 CAEDHO CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)[C@@H](C#N)C1 ZINC000912535492 656262565 /nfs/dbraw/zinc/26/25/65/656262565.db2.gz LTDUOKQXVFNBOJ-NSHDSACASA-N 1 3 281.360 -1.327 20 30 CAEDHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCC#N)CC1 ZINC001133285661 776773604 /nfs/dbraw/zinc/77/36/04/776773604.db2.gz 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1 3 281.360 -1.470 20 30 CAEDHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001133866532 776792970 /nfs/dbraw/zinc/79/29/70/776792970.db2.gz MPDLJQQNPVGDLA-GHMZBOCLSA-N 1 3 281.360 -1.470 20 30 CAEDHO C#CCNCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001122484450 779670644 /nfs/dbraw/zinc/67/06/44/779670644.db2.gz UKTIRBYBDRSESW-GXTWGEPZSA-N 1 3 281.356 -1.449 20 30 CAEDHO C#CCNCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001122484450 779670650 /nfs/dbraw/zinc/67/06/50/779670650.db2.gz UKTIRBYBDRSESW-GXTWGEPZSA-N 1 3 281.356 -1.449 20 30 CAEDHO CC1([NH3+])CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)C1 ZINC001157651271 779909145 /nfs/dbraw/zinc/90/91/45/779909145.db2.gz JUTXPVBJMYYRRL-SFYZADRCSA-N 1 3 277.346 -1.747 20 30 CAEDHO N#C[C@@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157981292 779922512 /nfs/dbraw/zinc/92/25/12/779922512.db2.gz ALINWGFQOHKXDO-NQBHXWOUSA-N 1 3 263.345 -1.491 20 30 CAEDHO N#CCCN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160483790 779962839 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N#C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160934017 779988225 /nfs/dbraw/zinc/98/82/25/779988225.db2.gz TXXHPPIUMOQUPT-UWVGGRQHSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#Cc1nc(N)c(NC(=O)[C@@H](N)CCC[NH3+])nc1C#N ZINC001218595141 780173007 /nfs/dbraw/zinc/17/30/07/780173007.db2.gz MDAHJJZXVVAPFR-LURJTMIESA-N 1 3 274.288 -1.193 20 30 CAEDHO N#Cc1nc(N)c(NC(=O)[C@H](N)CCC[NH3+])nc1C#N ZINC001218595143 780173421 /nfs/dbraw/zinc/17/34/21/780173421.db2.gz MDAHJJZXVVAPFR-ZCFIWIBFSA-N 1 3 274.288 -1.193 20 30 CAEDHO N#Cc1[nH]cnc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218595466 780173528 /nfs/dbraw/zinc/17/35/28/780173528.db2.gz NIXVUIWSNSQXQG-SECBINFHSA-N 1 3 277.332 -1.030 20 30 CAEDHO N#Cc1c(N)nn(C(=O)[C@@H]2C[NH2+]CC23CNC3)c1N ZINC001218659038 780179308 /nfs/dbraw/zinc/17/93/08/780179308.db2.gz CWYHEYGNGYONOA-ZETCQYMHSA-N 1 3 261.289 -1.632 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220036647 780296329 /nfs/dbraw/zinc/29/63/29/780296329.db2.gz RTWNRRZGGZQIER-BQBZGAKWSA-N 1 3 281.403 -1.407 20 30 CAEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220499167 780353681 /nfs/dbraw/zinc/35/36/81/780353681.db2.gz TWQHBHPMPLSFEM-YUMQZZPRSA-N 1 3 274.346 -1.423 20 30 CAEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220498484 780354364 /nfs/dbraw/zinc/35/43/64/780354364.db2.gz HCBQMBWMWPDUFP-GIPNMCIBSA-N 1 3 280.328 -1.243 20 30 CAEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220498685 780355646 /nfs/dbraw/zinc/35/56/46/780355646.db2.gz JVHDJYSHWKJBLW-DTWKUNHWSA-N 1 3 266.301 -1.633 20 30 CAEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889934 780394337 /nfs/dbraw/zinc/39/43/37/780394337.db2.gz QWXYJHAUWROACP-AEJSXWLSSA-N 1 3 291.373 -1.439 20 30 CAEDHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC#N ZINC001147842137 781523066 /nfs/dbraw/zinc/52/30/66/781523066.db2.gz OPYDLFYENQHKAI-UHFFFAOYSA-N 1 3 285.348 -2.090 20 30 CAEDHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001147877005 781524432 /nfs/dbraw/zinc/52/44/32/781524432.db2.gz BUCBWBYEHXSIII-NSHDSACASA-N 1 3 281.360 -1.326 20 30 CAEDHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001147877005 781524437 /nfs/dbraw/zinc/52/44/37/781524437.db2.gz BUCBWBYEHXSIII-NSHDSACASA-N 1 3 281.360 -1.326 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877357 781524506 /nfs/dbraw/zinc/52/45/06/781524506.db2.gz IIODDXALKZASHC-LBPRGKRZSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877357 781524515 /nfs/dbraw/zinc/52/45/15/781524515.db2.gz IIODDXALKZASHC-LBPRGKRZSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877356 781525209 /nfs/dbraw/zinc/52/52/09/781525209.db2.gz IIODDXALKZASHC-GFCCVEGCSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877356 781525211 /nfs/dbraw/zinc/52/52/11/781525211.db2.gz IIODDXALKZASHC-GFCCVEGCSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976901 781526655 /nfs/dbraw/zinc/52/66/55/781526655.db2.gz DPBXYCYHISWSOF-UHFFFAOYSA-N 1 3 278.356 -1.463 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000064 781527516 /nfs/dbraw/zinc/52/75/16/781527516.db2.gz JOVGNCOURSFLDK-LBPRGKRZSA-N 1 3 292.383 -1.074 20 30 CAEDHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181651337 781697249 /nfs/dbraw/zinc/69/72/49/781697249.db2.gz BDDWMKXGDKDKAZ-VXGBXAGGSA-N 1 3 293.371 -1.089 20 30 CAEDHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 ZINC001187818508 781831440 /nfs/dbraw/zinc/83/14/40/781831440.db2.gz QAYNWJYSXNKTPT-NWDGAFQWSA-N 1 3 293.371 -1.232 20 30 CAEDHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 ZINC001187818508 781831451 /nfs/dbraw/zinc/83/14/51/781831451.db2.gz QAYNWJYSXNKTPT-NWDGAFQWSA-N 1 3 293.371 -1.232 20 30 CAEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818383 781831523 /nfs/dbraw/zinc/83/15/23/781831523.db2.gz OKIMHOWRFCMFIW-CHWSQXEVSA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818383 781831532 /nfs/dbraw/zinc/83/15/32/781831532.db2.gz OKIMHOWRFCMFIW-CHWSQXEVSA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281347 884187053 /nfs/dbraw/zinc/18/70/53/884187053.db2.gz CSSGRFNIFOUUBX-LBPRGKRZSA-N 1 3 292.383 -1.074 20 30 CAEDHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317296612 884188243 /nfs/dbraw/zinc/18/82/43/884188243.db2.gz BDDWMKXGDKDKAZ-RYUDHWBXSA-N 1 3 293.371 -1.089 20 30 CAEDHO N#C[C@H]1CNCC12CC(C(=O)N[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001344080952 885932816 /nfs/dbraw/zinc/93/28/16/885932816.db2.gz GSKZDTAYMABKOX-RMQVTFPSSA-N 1 3 264.329 -1.425 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)CC1 ZINC001482799882 892709853 /nfs/dbraw/zinc/70/98/53/892709853.db2.gz SJZTYIWOJIZASJ-OCCSQVGLSA-N 1 3 297.399 -1.221 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001486065787 893011411 /nfs/dbraw/zinc/01/14/11/893011411.db2.gz KIACUVDLWDIQRV-CYBMUJFWSA-N 1 3 283.372 -1.609 20 30 CAEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490857557 893222143 /nfs/dbraw/zinc/22/21/43/893222143.db2.gz OKIMHOWRFCMFIW-OLZOCXBDSA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490857557 893222159 /nfs/dbraw/zinc/22/21/59/893222159.db2.gz OKIMHOWRFCMFIW-OLZOCXBDSA-N 1 3 292.383 -1.122 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001497119190 893608359 /nfs/dbraw/zinc/60/83/59/893608359.db2.gz QVHGPOYCRKNINN-LBPRGKRZSA-N 1 3 296.371 -2.116 20 30 CAEDHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843460071 582214445 /nfs/dbraw/zinc/21/44/45/582214445.db2.gz LJOBPBYJAMYKDP-QXEWZRGKSA-N 1 3 267.333 -1.686 20 30 CAEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303774319 656982778 /nfs/dbraw/zinc/98/27/78/656982778.db2.gz FVEIRVYPUIBYOA-JTQLQIEISA-N 1 3 291.421 -1.076 20 30 CAEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303774329 656983451 /nfs/dbraw/zinc/98/34/51/656983451.db2.gz FVEIRVYPUIBYOA-SNVBAGLBSA-N 1 3 291.421 -1.076 20 30 CAEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000304763137 656988980 /nfs/dbraw/zinc/98/89/80/656988980.db2.gz WLOCDRHAOHLUND-JTQLQIEISA-N 1 3 296.375 -1.073 20 30 CAEDHO CN(C)CC#CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001256585356 780625092 /nfs/dbraw/zinc/62/50/92/780625092.db2.gz QFUDOHOHYPDUPE-CYBMUJFWSA-N 1 3 268.361 -1.083 20 30 CAEDHO CN(C)CC#CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001256585356 780625094 /nfs/dbraw/zinc/62/50/94/780625094.db2.gz QFUDOHOHYPDUPE-CYBMUJFWSA-N 1 3 268.361 -1.083 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)CC1 ZINC001278203282 780516158 /nfs/dbraw/zinc/51/61/58/780516158.db2.gz ZZRWHNJZUMZWAS-TZMCWYRMSA-N 1 3 297.399 -1.221 20 30 CAEDHO COCC#CCNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001272513607 775926000 /nfs/dbraw/zinc/92/60/00/775926000.db2.gz QCFHWKWHAFDIRQ-LBPRGKRZSA-N 1 3 271.361 -1.345 20 30 CAEDHO COCC#CCNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001272513604 775926954 /nfs/dbraw/zinc/92/69/54/775926954.db2.gz QCFHWKWHAFDIRQ-GFCCVEGCSA-N 1 3 271.361 -1.345 20 30 CAEDHO N#CCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474245 775986846 /nfs/dbraw/zinc/98/68/46/775986846.db2.gz KUSIATWPWJEJAA-LBPRGKRZSA-N 1 3 293.371 -1.326 20 30 CAEDHO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866540 776016618 /nfs/dbraw/zinc/01/66/18/776016618.db2.gz FLYJKCCOYSBJCN-NWDGAFQWSA-N 1 3 280.372 -1.076 20 30 CAEDHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCC#N ZINC001133040420 776757729 /nfs/dbraw/zinc/75/77/29/776757729.db2.gz QFRCQPQGQVDGFM-UHFFFAOYSA-N 1 3 269.349 -1.326 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040604 776757955 /nfs/dbraw/zinc/75/79/55/776757955.db2.gz YWDFZDCAGNUDAJ-UHFFFAOYSA-N 1 3 268.361 -1.217 20 30 CAEDHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001133853230 776789691 /nfs/dbraw/zinc/78/96/91/776789691.db2.gz GFDPNXOILCDMEQ-LLVKDONJSA-N 1 3 281.360 -1.326 20 30 CAEDHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001133853230 776789694 /nfs/dbraw/zinc/78/96/94/776789694.db2.gz GFDPNXOILCDMEQ-LLVKDONJSA-N 1 3 281.360 -1.326 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863086 776790382 /nfs/dbraw/zinc/79/03/82/776790382.db2.gz JNZIIBKFBGLMFN-NWDGAFQWSA-N 1 3 280.372 -1.361 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863086 776790384 /nfs/dbraw/zinc/79/03/84/776790384.db2.gz JNZIIBKFBGLMFN-NWDGAFQWSA-N 1 3 280.372 -1.361 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863088 776790502 /nfs/dbraw/zinc/79/05/02/776790502.db2.gz JNZIIBKFBGLMFN-VXGBXAGGSA-N 1 3 280.372 -1.361 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863088 776790505 /nfs/dbraw/zinc/79/05/05/776790505.db2.gz JNZIIBKFBGLMFN-VXGBXAGGSA-N 1 3 280.372 -1.361 20 30 CAEDHO COCC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470124 777945688 /nfs/dbraw/zinc/94/56/88/777945688.db2.gz UGZBPDOBFPNKAN-KGLIPLIRSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470124 777945695 /nfs/dbraw/zinc/94/56/95/777945695.db2.gz UGZBPDOBFPNKAN-KGLIPLIRSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470125 777946098 /nfs/dbraw/zinc/94/60/98/777946098.db2.gz UGZBPDOBFPNKAN-UONOGXRCSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470125 777946102 /nfs/dbraw/zinc/94/61/02/777946102.db2.gz UGZBPDOBFPNKAN-UONOGXRCSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470123 777946154 /nfs/dbraw/zinc/94/61/54/777946154.db2.gz UGZBPDOBFPNKAN-KBPBESRZSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284470123 777946157 /nfs/dbraw/zinc/94/61/57/777946157.db2.gz UGZBPDOBFPNKAN-KBPBESRZSA-N 1 3 297.399 -1.003 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151044647 779802349 /nfs/dbraw/zinc/80/23/49/779802349.db2.gz WPIAXLUBQBCKDZ-NSHDSACASA-N 1 3 268.361 -1.054 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151044647 779802354 /nfs/dbraw/zinc/80/23/54/779802354.db2.gz WPIAXLUBQBCKDZ-NSHDSACASA-N 1 3 268.361 -1.054 20 30 CAEDHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 ZINC001151049696 779803451 /nfs/dbraw/zinc/80/34/51/779803451.db2.gz WKNRXFUAUGMTQW-JTQLQIEISA-N 1 3 267.333 -1.716 20 30 CAEDHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 ZINC001151049696 779803452 /nfs/dbraw/zinc/80/34/52/779803452.db2.gz WKNRXFUAUGMTQW-JTQLQIEISA-N 1 3 267.333 -1.716 20 30 CAEDHO CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538079 779907797 /nfs/dbraw/zinc/90/77/97/779907797.db2.gz GZAROGXKYQXLMS-HXFLIBJXSA-N 1 3 295.336 -1.799 20 30 CAEDHO N#C[C@@H]1CNCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157981303 779921999 /nfs/dbraw/zinc/92/19/99/779921999.db2.gz ASIUXMMLLDLONM-BDAKNGLRSA-N 1 3 257.363 -1.670 20 30 CAEDHO N#C[C@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157981296 779922067 /nfs/dbraw/zinc/92/20/67/779922067.db2.gz ALINWGFQOHKXDO-NTZNESFSSA-N 1 3 263.345 -1.491 20 30 CAEDHO N#C[C@@H]1CNCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157983210 779924147 /nfs/dbraw/zinc/92/41/47/779924147.db2.gz YSWGEJYRAUAHAF-MNOVXSKESA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160933882 779987953 /nfs/dbraw/zinc/98/79/53/779987953.db2.gz PQDJMKLJJRVPSI-BDAKNGLRSA-N 1 3 258.347 -1.243 20 30 CAEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC001160515697 779964349 /nfs/dbraw/zinc/96/43/49/779964349.db2.gz SOUANGWTXSKVLR-ZJUUUORDSA-N 1 3 291.373 -1.357 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCN1 ZINC001160651782 779973979 /nfs/dbraw/zinc/97/39/79/779973979.db2.gz YMICOKHXADUKJQ-NQBHXWOUSA-N 1 3 263.345 -1.491 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCN1 ZINC001160652370 779974380 /nfs/dbraw/zinc/97/43/80/779974380.db2.gz CCNCXVGQOPRCHD-GHMZBOCLSA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1 ZINC001160877696 779985372 /nfs/dbraw/zinc/98/53/72/779985372.db2.gz AZGJIAXZLYIICA-NQBHXWOUSA-N 1 3 264.329 -1.064 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001160877746 779985396 /nfs/dbraw/zinc/98/53/96/779985396.db2.gz BTOCOMFJNHCKHJ-BDAKNGLRSA-N 1 3 258.347 -1.243 20 30 CAEDHO N#Cc1nc(N)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)nc1C#N ZINC001218596299 780174705 /nfs/dbraw/zinc/17/47/05/780174705.db2.gz XSQJYLQYMGDIGL-SSDOTTSWSA-N 1 3 298.310 -1.450 20 30 CAEDHO N#Cc1c(N)nn(C(=O)[C@H](N)C2CC[NH2+]CC2)c1N ZINC001218658889 780180456 /nfs/dbraw/zinc/18/04/56/780180456.db2.gz BHKBLBAKZSTBMB-MRVPVSSYSA-N 1 3 263.305 -1.114 20 30 CAEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)NCC[NH3+])C1 ZINC001219870706 780271580 /nfs/dbraw/zinc/27/15/80/780271580.db2.gz QOXGSBNPEJEJFT-RQJHMYQMSA-N 1 3 251.308 -2.232 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220036760 780295887 /nfs/dbraw/zinc/29/58/87/780295887.db2.gz VEEPGGZMIKOEGF-IUCAKERBSA-N 1 3 275.374 -1.099 20 30 CAEDHO C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220043124 780295874 /nfs/dbraw/zinc/29/58/74/780295874.db2.gz GAROADJVAYGKGA-LLVKDONJSA-N 1 3 280.372 -1.006 20 30 CAEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220043125 780296341 /nfs/dbraw/zinc/29/63/41/780296341.db2.gz GAROADJVAYGKGA-NSHDSACASA-N 1 3 280.372 -1.006 20 30 CAEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](C#N)C(N)=O ZINC001220527949 780360715 /nfs/dbraw/zinc/36/07/15/780360715.db2.gz UJQUSLWMQALXOO-VHSXEESVSA-N 1 3 269.349 -1.024 20 30 CAEDHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](C#N)C(N)=O ZINC001220527943 780361195 /nfs/dbraw/zinc/36/11/95/780361195.db2.gz UINFYSCMRFJNML-IUCAKERBSA-N 1 3 255.322 -1.461 20 30 CAEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)NCCCC[NH3+])C1 ZINC001221348064 780417412 /nfs/dbraw/zinc/41/74/12/780417412.db2.gz SVEAXWGFXKPNAX-BDAKNGLRSA-N 1 3 279.362 -1.452 20 30 CAEDHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001265928723 780764407 /nfs/dbraw/zinc/76/44/07/780764407.db2.gz NQKJLLCLRLYFGV-NSHDSACASA-N 1 3 281.360 -1.232 20 30 CAEDHO C#CCOC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246010754 781397606 /nfs/dbraw/zinc/39/76/06/781397606.db2.gz ZVSSCEISDSFMGX-MNOVXSKESA-N 1 3 257.334 -1.430 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841834 781523123 /nfs/dbraw/zinc/52/31/23/781523123.db2.gz JZWUAYNGSAJJSW-UHFFFAOYSA-N 1 3 284.360 -1.980 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893735 781525128 /nfs/dbraw/zinc/52/51/28/781525128.db2.gz RXIBWNGLEHHSLW-GFCCVEGCSA-N 1 3 298.387 -1.592 20 30 CAEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001176926476 781609932 /nfs/dbraw/zinc/60/99/32/781609932.db2.gz NYKVFYDXHCWEQV-UHFFFAOYSA-N 1 3 280.372 -1.087 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064429 781701869 /nfs/dbraw/zinc/70/18/69/781701869.db2.gz BKBSWWWGENIKGX-VXGBXAGGSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064429 781701875 /nfs/dbraw/zinc/70/18/75/781701875.db2.gz BKBSWWWGENIKGX-VXGBXAGGSA-N 1 3 280.372 -1.218 20 30 CAEDHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 ZINC001187818509 781831260 /nfs/dbraw/zinc/83/12/60/781831260.db2.gz QAYNWJYSXNKTPT-VXGBXAGGSA-N 1 3 293.371 -1.232 20 30 CAEDHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 ZINC001187818509 781831272 /nfs/dbraw/zinc/83/12/72/781831272.db2.gz QAYNWJYSXNKTPT-VXGBXAGGSA-N 1 3 293.371 -1.232 20 30 CAEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281344 884185387 /nfs/dbraw/zinc/18/53/87/884185387.db2.gz CSSGRFNIFOUUBX-GFCCVEGCSA-N 1 3 292.383 -1.074 20 30 CAEDHO N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001344080949 885932485 /nfs/dbraw/zinc/93/24/85/885932485.db2.gz GSKZDTAYMABKOX-JNGXGDJUSA-N 1 3 264.329 -1.425 20 30 CAEDHO CN(CCNCC(=O)NCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC001493764770 893415858 /nfs/dbraw/zinc/41/58/58/893415858.db2.gz WYKCRYWQLPUKBK-UHFFFAOYSA-N 1 3 293.371 -1.230 20 30 CAEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001497119189 893608560 /nfs/dbraw/zinc/60/85/60/893608560.db2.gz QVHGPOYCRKNINN-GFCCVEGCSA-N 1 3 296.371 -2.116 20 30 CAEDHO CN(CC#CC[N@H+](C)CCC(N)=O)CCC(N)=O ZINC000353193916 263055764 /nfs/dbraw/zinc/05/57/64/263055764.db2.gz CKHNHLLMXCVBPL-UHFFFAOYSA-N 1 3 254.334 -1.396 20 30 CAEDHO CN(CC#CC[N@@H+](C)CCC(N)=O)CCC(N)=O ZINC000353193916 263055765 /nfs/dbraw/zinc/05/57/65/263055765.db2.gz CKHNHLLMXCVBPL-UHFFFAOYSA-N 1 3 254.334 -1.396 20 30 CAEDHO C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(O)CCN(C)C1 ZINC000262298788 330004891 /nfs/dbraw/zinc/00/48/91/330004891.db2.gz NEHPYQLYAHCCHG-AWEZNQCLSA-N 1 3 299.419 -1.450 20 30 CAEDHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC#N)CC[N@@H+]1C ZINC001127685106 776002183 /nfs/dbraw/zinc/00/21/83/776002183.db2.gz CJSIJQWZYWIYRF-GHMZBOCLSA-N 1 3 281.360 -1.328 20 30 CAEDHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC#N)CC[N@H+]1C ZINC001127685106 776002188 /nfs/dbraw/zinc/00/21/88/776002188.db2.gz CJSIJQWZYWIYRF-GHMZBOCLSA-N 1 3 281.360 -1.328 20 30 CAEDHO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866541 776015507 /nfs/dbraw/zinc/01/55/07/776015507.db2.gz FLYJKCCOYSBJCN-RYUDHWBXSA-N 1 3 280.372 -1.076 20 30 CAEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866542 776015650 /nfs/dbraw/zinc/01/56/50/776015650.db2.gz FLYJKCCOYSBJCN-VXGBXAGGSA-N 1 3 280.372 -1.076 20 30 CAEDHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCC#N)C1CC1 ZINC001129437033 776621607 /nfs/dbraw/zinc/62/16/07/776621607.db2.gz UXSBAZFPTDIXMG-GFCCVEGCSA-N 1 3 281.360 -1.328 20 30 CAEDHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCC#N)C1CC1 ZINC001129437034 776621654 /nfs/dbraw/zinc/62/16/54/776621654.db2.gz UXSBAZFPTDIXMG-LBPRGKRZSA-N 1 3 281.360 -1.328 20 30 CAEDHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCC#N)CC1 ZINC001132992826 776756018 /nfs/dbraw/zinc/75/60/18/776756018.db2.gz GLXPJHAMLCNTPA-UHFFFAOYSA-N 1 3 281.360 -1.326 20 30 CAEDHO C=CCNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294649 776775859 /nfs/dbraw/zinc/77/58/59/776775859.db2.gz OLSBNNMWIFGJGI-UHFFFAOYSA-N 1 3 299.375 -1.344 20 30 CAEDHO C=CCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294406 776776192 /nfs/dbraw/zinc/77/61/92/776776192.db2.gz HNRRTKMGMNZCPD-UHFFFAOYSA-N 1 3 256.350 -1.054 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846218 776790245 /nfs/dbraw/zinc/79/02/45/776790245.db2.gz WKMVBANVCCJAHD-GFCCVEGCSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846218 776790253 /nfs/dbraw/zinc/79/02/53/776790253.db2.gz WKMVBANVCCJAHD-GFCCVEGCSA-N 1 3 280.372 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863087 776790903 /nfs/dbraw/zinc/79/09/03/776790903.db2.gz JNZIIBKFBGLMFN-RYUDHWBXSA-N 1 3 280.372 -1.361 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863087 776790907 /nfs/dbraw/zinc/79/09/07/776790907.db2.gz JNZIIBKFBGLMFN-RYUDHWBXSA-N 1 3 280.372 -1.361 20 30 CAEDHO COCC#CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470126 777945117 /nfs/dbraw/zinc/94/51/17/777945117.db2.gz UGZBPDOBFPNKAN-ZIAGYGMSSA-N 1 3 297.399 -1.003 20 30 CAEDHO COCC#CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284470126 777945126 /nfs/dbraw/zinc/94/51/26/777945126.db2.gz UGZBPDOBFPNKAN-ZIAGYGMSSA-N 1 3 297.399 -1.003 20 30 CAEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791593 779877229 /nfs/dbraw/zinc/87/72/29/779877229.db2.gz XMCJQOCFUIETTM-LBPRGKRZSA-N 1 3 280.372 -1.074 20 30 CAEDHO N#C[C@H]1CNCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157983212 779923788 /nfs/dbraw/zinc/92/37/88/779923788.db2.gz YSWGEJYRAUAHAF-WDEREUQCSA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@H]1CNCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157983211 779924072 /nfs/dbraw/zinc/92/40/72/779924072.db2.gz YSWGEJYRAUAHAF-QWRGUYRKSA-N 1 3 251.334 -1.363 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCN1 ZINC001160652839 779973380 /nfs/dbraw/zinc/97/33/80/779973380.db2.gz NROVKQBYBQUACT-BDAKNGLRSA-N 1 3 257.363 -1.670 20 30 CAEDHO N#C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160879164 779984758 /nfs/dbraw/zinc/98/47/58/779984758.db2.gz PFYMGQQPOTXUOQ-UWVGGRQHSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160879163 779985179 /nfs/dbraw/zinc/98/51/79/779985179.db2.gz PFYMGQQPOTXUOQ-NXEZZACHSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160879167 779985484 /nfs/dbraw/zinc/98/54/84/779985484.db2.gz PFYMGQQPOTXUOQ-ZJUUUORDSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#C[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160933335 779987369 /nfs/dbraw/zinc/98/73/69/779987369.db2.gz JIYJTVLZEKPIPI-NTZNESFSSA-N 1 3 264.329 -1.064 20 30 CAEDHO N#C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160934019 779987739 /nfs/dbraw/zinc/98/77/39/779987739.db2.gz TXXHPPIUMOQUPT-ZJUUUORDSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160934018 779987873 /nfs/dbraw/zinc/98/78/73/779987873.db2.gz TXXHPPIUMOQUPT-VHSXEESVSA-N 1 3 250.302 -1.454 20 30 CAEDHO N#Cc1[nH]cnc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218595489 780173859 /nfs/dbraw/zinc/17/38/59/780173859.db2.gz NIXVUIWSNSQXQG-VIFPVBQESA-N 1 3 277.332 -1.030 20 30 CAEDHO N#Cc1nc(N)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1C#N ZINC001218596302 780175634 /nfs/dbraw/zinc/17/56/34/780175634.db2.gz XSQJYLQYMGDIGL-ZETCQYMHSA-N 1 3 298.310 -1.450 20 30 CAEDHO N#Cc1c(N)nn(C(=O)[C@H]2C[NH2+]CC23CNC3)c1N ZINC001218659031 780179294 /nfs/dbraw/zinc/17/92/94/780179294.db2.gz CWYHEYGNGYONOA-SSDOTTSWSA-N 1 3 261.289 -1.632 20 30 CAEDHO N#Cc1c(N)nn(C(=O)[C@@H](N)C2CC[NH2+]CC2)c1N ZINC001218658893 780180497 /nfs/dbraw/zinc/18/04/97/780180497.db2.gz BHKBLBAKZSTBMB-QMMMGPOBSA-N 1 3 263.305 -1.114 20 30 CAEDHO C#C[C@](C)(N)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765856 780258834 /nfs/dbraw/zinc/25/88/34/780258834.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 1 3 250.346 -1.253 20 30 CAEDHO C#C[C@](C)(N)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765856 780258841 /nfs/dbraw/zinc/25/88/41/780258841.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 1 3 250.346 -1.253 20 30 CAEDHO C#C[C@](C)(N)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765856 780258852 /nfs/dbraw/zinc/25/88/52/780258852.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 1 3 250.346 -1.253 20 30 CAEDHO COC(=O)[C@H](CS)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220036162 780296272 /nfs/dbraw/zinc/29/62/72/780296272.db2.gz KSWKYMBPIWNYTB-YUMQZZPRSA-N 1 3 273.358 -1.617 20 30 CAEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220499165 780353712 /nfs/dbraw/zinc/35/37/12/780353712.db2.gz TWQHBHPMPLSFEM-JGVFFNPUSA-N 1 3 274.346 -1.423 20 30 CAEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220498686 780354234 /nfs/dbraw/zinc/35/42/34/780354234.db2.gz JVHDJYSHWKJBLW-IUCAKERBSA-N 1 3 266.301 -1.633 20 30 CAEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220498684 780354864 /nfs/dbraw/zinc/35/48/64/780354864.db2.gz JVHDJYSHWKJBLW-BDAKNGLRSA-N 1 3 266.301 -1.633 20 30 CAEDHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H](C#N)C(N)=O ZINC001220527942 780360481 /nfs/dbraw/zinc/36/04/81/780360481.db2.gz UINFYSCMRFJNML-DTWKUNHWSA-N 1 3 255.322 -1.461 20 30 CAEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](C#N)C(N)=O ZINC001220527948 780361749 /nfs/dbraw/zinc/36/17/49/780361749.db2.gz UJQUSLWMQALXOO-UWVGGRQHSA-N 1 3 269.349 -1.024 20 30 CAEDHO C#CC[C@H](N)C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827510 780383497 /nfs/dbraw/zinc/38/34/97/780383497.db2.gz QFMCZLZPJGRTHF-VIFPVBQESA-N 1 3 251.286 -1.126 20 30 CAEDHO C#CCOC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246010755 781398239 /nfs/dbraw/zinc/39/82/39/781398239.db2.gz ZVSSCEISDSFMGX-QWRGUYRKSA-N 1 3 257.334 -1.430 20 30 CAEDHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC#N ZINC001146718841 781490893 /nfs/dbraw/zinc/49/08/93/781490893.db2.gz HPVKDTJRHMWWOX-UHFFFAOYSA-N 1 3 269.349 -1.326 20 30 CAEDHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC#N ZINC001146718841 781490884 /nfs/dbraw/zinc/49/08/84/781490884.db2.gz HPVKDTJRHMWWOX-UHFFFAOYSA-N 1 3 269.349 -1.326 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146710234 781491251 /nfs/dbraw/zinc/49/12/51/781491251.db2.gz GVLHPVGPBUCUHY-UHFFFAOYSA-N 1 3 268.361 -1.217 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146710234 781491259 /nfs/dbraw/zinc/49/12/59/781491259.db2.gz GVLHPVGPBUCUHY-UHFFFAOYSA-N 1 3 268.361 -1.217 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893736 781524617 /nfs/dbraw/zinc/52/46/17/781524617.db2.gz RXIBWNGLEHHSLW-LBPRGKRZSA-N 1 3 298.387 -1.592 20 30 CAEDHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001147877004 781525335 /nfs/dbraw/zinc/52/53/35/781525335.db2.gz BUCBWBYEHXSIII-LLVKDONJSA-N 1 3 281.360 -1.326 20 30 CAEDHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC#N)C1 ZINC001147877004 781525338 /nfs/dbraw/zinc/52/53/38/781525338.db2.gz BUCBWBYEHXSIII-LLVKDONJSA-N 1 3 281.360 -1.326 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049835 781696221 /nfs/dbraw/zinc/69/62/21/781696221.db2.gz ZUDSGVAGFWFQRK-LLVKDONJSA-N 1 3 266.345 -1.607 20 30 CAEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049835 781696224 /nfs/dbraw/zinc/69/62/24/781696224.db2.gz ZUDSGVAGFWFQRK-LLVKDONJSA-N 1 3 266.345 -1.607 20 30 CAEDHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181651331 781697128 /nfs/dbraw/zinc/69/71/28/781697128.db2.gz BDDWMKXGDKDKAZ-NEPJUHHUSA-N 1 3 293.371 -1.089 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064427 781701057 /nfs/dbraw/zinc/70/10/57/781701057.db2.gz BKBSWWWGENIKGX-NWDGAFQWSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064427 781701063 /nfs/dbraw/zinc/70/10/63/781701063.db2.gz BKBSWWWGENIKGX-NWDGAFQWSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064426 781701969 /nfs/dbraw/zinc/70/19/69/781701969.db2.gz BKBSWWWGENIKGX-NEPJUHHUSA-N 1 3 280.372 -1.218 20 30 CAEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064426 781701975 /nfs/dbraw/zinc/70/19/75/781701975.db2.gz BKBSWWWGENIKGX-NEPJUHHUSA-N 1 3 280.372 -1.218 20 30 CAEDHO