smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001091158849 842989200 /nfs/dbraw/zinc/98/92/00/842989200.db2.gz IQXKIOGERSMMEZ-HIEASXQVSA-N 2 2 351.491 0.927 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131222 846407149 /nfs/dbraw/zinc/40/71/49/846407149.db2.gz QKIKEOPPCKZFOX-ZIAGYGMSSA-N 2 2 358.364 0.820 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206332 846462338 /nfs/dbraw/zinc/46/23/38/846462338.db2.gz NQVYVRWAEZGEFM-RBSFLKMASA-N 2 2 361.408 0.957 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130238172 848985182 /nfs/dbraw/zinc/98/51/82/848985182.db2.gz WZANCMRXLNTMJI-IHRRRGAJSA-N 2 2 350.467 0.409 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251345 848988717 /nfs/dbraw/zinc/98/87/17/848988717.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 2 2 350.467 0.409 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251345 848988721 /nfs/dbraw/zinc/98/87/21/848988721.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 2 2 350.467 0.409 20 30 FCEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154414867 849794004 /nfs/dbraw/zinc/79/40/04/849794004.db2.gz DTHBXINMBAWGOY-KURKYZTESA-N 2 2 351.491 0.716 20 30 FCEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154414867 849794011 /nfs/dbraw/zinc/79/40/11/849794011.db2.gz DTHBXINMBAWGOY-KURKYZTESA-N 2 2 351.491 0.716 20 30 FCEDLP OCCOCCOCCOC/C=[NH+]/C(S)NCC[NH+]1CCCCC1 ZINC001200440638 853496971 /nfs/dbraw/zinc/49/69/71/853496971.db2.gz RLCANEGGVSWUST-UHFFFAOYSA-N 2 2 362.516 0.552 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212285185 854427171 /nfs/dbraw/zinc/42/71/71/854427171.db2.gz XQKAQAMBGJOERX-IAGOWNOFSA-N 2 2 351.491 0.716 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212285185 854427177 /nfs/dbraw/zinc/42/71/77/854427177.db2.gz XQKAQAMBGJOERX-IAGOWNOFSA-N 2 2 351.491 0.716 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376973 854594086 /nfs/dbraw/zinc/59/40/86/854594086.db2.gz QWZPIIMZADZFCG-HZPDHXFCSA-N 2 2 354.495 0.178 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376973 854594091 /nfs/dbraw/zinc/59/40/91/854594091.db2.gz QWZPIIMZADZFCG-HZPDHXFCSA-N 2 2 354.495 0.178 20 30 FCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220868233 856348294 /nfs/dbraw/zinc/34/82/94/856348294.db2.gz FFQQQAFVGHNDTE-GJZGRUSLSA-N 2 2 355.504 0.167 20 30 FCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220868233 856348298 /nfs/dbraw/zinc/34/82/98/856348298.db2.gz FFQQQAFVGHNDTE-GJZGRUSLSA-N 2 2 355.504 0.167 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573286222 946799314 /nfs/dbraw/zinc/79/93/14/946799314.db2.gz WPDABZUYHHQOTL-BBRMVZONSA-N 2 2 368.445 0.040 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573286222 946799317 /nfs/dbraw/zinc/79/93/17/946799317.db2.gz WPDABZUYHHQOTL-BBRMVZONSA-N 2 2 368.445 0.040 20 30 FCEDLP CC[C@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267383594 529695495 /nfs/dbraw/zinc/69/54/95/529695495.db2.gz BBRCBMAVHKOFOH-AWEZNQCLSA-N 2 2 367.519 0.826 20 30 FCEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371593254 216749032 /nfs/dbraw/zinc/74/90/32/216749032.db2.gz SHGQAKKZQGCNCP-IBGZPJMESA-N 2 2 355.486 0.886 20 30 FCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371593254 216749034 /nfs/dbraw/zinc/74/90/34/216749034.db2.gz SHGQAKKZQGCNCP-IBGZPJMESA-N 2 2 355.486 0.886 20 30 FCEDLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423009720 246946887 /nfs/dbraw/zinc/94/68/87/246946887.db2.gz DNBNMZJQHBSGOS-FQEVSTJZSA-N 2 2 369.469 0.400 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)CC2)CC1 ZINC000328668238 488928796 /nfs/dbraw/zinc/92/87/96/488928796.db2.gz DPYZKCKHVDGMNO-CALCHBBNSA-N 2 2 352.479 0.559 20 30 FCEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000272027968 488559228 /nfs/dbraw/zinc/55/92/28/488559228.db2.gz OINYAINRMDECEJ-UHFFFAOYSA-N 2 2 354.498 0.972 20 30 FCEDLP C[NH+](C)CCn1c2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2oc1=O ZINC000563004266 491207254 /nfs/dbraw/zinc/20/72/54/491207254.db2.gz DFGYJTUFKBVLDP-HNNXBMFYSA-N 2 2 361.446 0.774 20 30 FCEDLP C[NH+](C)CCn1c2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2oc1=O ZINC000563004266 491207255 /nfs/dbraw/zinc/20/72/55/491207255.db2.gz DFGYJTUFKBVLDP-HNNXBMFYSA-N 2 2 361.446 0.774 20 30 FCEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329261477 488986763 /nfs/dbraw/zinc/98/67/63/488986763.db2.gz DBXYCVYZKKVFSE-ZACQAIPSSA-N 2 2 354.495 0.589 20 30 FCEDLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329261477 488986768 /nfs/dbraw/zinc/98/67/68/488986768.db2.gz DBXYCVYZKKVFSE-ZACQAIPSSA-N 2 2 354.495 0.589 20 30 FCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329306738 488992402 /nfs/dbraw/zinc/99/24/02/488992402.db2.gz YVYCZJOPXXUUQO-KZNAEPCWSA-N 2 2 367.538 0.504 20 30 FCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329306738 488992404 /nfs/dbraw/zinc/99/24/04/488992404.db2.gz YVYCZJOPXXUUQO-KZNAEPCWSA-N 2 2 367.538 0.504 20 30 FCEDLP CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)C1=O ZINC000329418826 489003068 /nfs/dbraw/zinc/00/30/68/489003068.db2.gz GUYJDDRUHILPOY-HNNXBMFYSA-N 2 2 352.479 0.749 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000329658040 489024780 /nfs/dbraw/zinc/02/47/80/489024780.db2.gz NERFSLYHYJHXFG-YYIAUSFCSA-N 2 2 352.479 0.293 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000329658040 489024783 /nfs/dbraw/zinc/02/47/83/489024783.db2.gz NERFSLYHYJHXFG-YYIAUSFCSA-N 2 2 352.479 0.293 20 30 FCEDLP CCN1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329961601 489055072 /nfs/dbraw/zinc/05/50/72/489055072.db2.gz OSDMPLNMKFACIK-JKSUJKDBSA-N 2 2 364.494 0.971 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC000330066554 489066053 /nfs/dbraw/zinc/06/60/53/489066053.db2.gz DWEZPEDADSAZEB-INIZCTEOSA-N 2 2 372.535 0.626 20 30 FCEDLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000330175010 489076555 /nfs/dbraw/zinc/07/65/55/489076555.db2.gz ISRRHRJMDPHRNA-IDCNUPLLSA-N 2 2 368.522 0.977 20 30 FCEDLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)C1 ZINC000330338666 489092792 /nfs/dbraw/zinc/09/27/92/489092792.db2.gz VRVMHOUQQIKZSU-GOSISDBHSA-N 2 2 362.478 0.788 20 30 FCEDLP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)C1 ZINC000330338666 489092793 /nfs/dbraw/zinc/09/27/93/489092793.db2.gz VRVMHOUQQIKZSU-GOSISDBHSA-N 2 2 362.478 0.788 20 30 FCEDLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420177790 489941941 /nfs/dbraw/zinc/94/19/41/489941941.db2.gz ZKLZSCYKQZQWMX-OAHLLOKOSA-N 2 2 357.458 0.317 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCC[NH+]3CCCC3)CC2)o1 ZINC000499910573 490467623 /nfs/dbraw/zinc/46/76/23/490467623.db2.gz CBGXIDNKNQIYRX-UHFFFAOYSA-N 2 2 374.489 0.921 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCC[NH+]3CCCC3)CC2)o1 ZINC000499910573 490467627 /nfs/dbraw/zinc/46/76/27/490467627.db2.gz CBGXIDNKNQIYRX-UHFFFAOYSA-N 2 2 374.489 0.921 20 30 FCEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536756819 490612005 /nfs/dbraw/zinc/61/20/05/490612005.db2.gz OWHGVLUETPCRHL-INIZCTEOSA-N 2 2 369.473 0.985 20 30 FCEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536756819 490612010 /nfs/dbraw/zinc/61/20/10/490612010.db2.gz OWHGVLUETPCRHL-INIZCTEOSA-N 2 2 369.473 0.985 20 30 FCEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000515548578 490831524 /nfs/dbraw/zinc/83/15/24/490831524.db2.gz IJSJOSOBGHZEOU-GOSISDBHSA-N 2 2 361.486 0.861 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000516049938 490847877 /nfs/dbraw/zinc/84/78/77/490847877.db2.gz FCUDNFFSPPYSKO-GOSISDBHSA-N 2 2 374.485 0.635 20 30 FCEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000573001820 491406928 /nfs/dbraw/zinc/40/69/28/491406928.db2.gz BXNSRZPHSSWQIG-UHFFFAOYSA-N 2 2 355.446 0.633 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144056 491719282 /nfs/dbraw/zinc/71/92/82/491719282.db2.gz ZWHZZWWSADNMBW-SJORKVTESA-N 2 2 358.490 0.902 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144056 491719284 /nfs/dbraw/zinc/71/92/84/491719284.db2.gz ZWHZZWWSADNMBW-SJORKVTESA-N 2 2 358.490 0.902 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000264970034 526358509 /nfs/dbraw/zinc/35/85/09/526358509.db2.gz DUYUJWIIJUFEHR-UHFFFAOYSA-N 2 2 351.520 0.603 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCc2sccc2C1 ZINC000264970034 526358517 /nfs/dbraw/zinc/35/85/17/526358517.db2.gz DUYUJWIIJUFEHR-UHFFFAOYSA-N 2 2 351.520 0.603 20 30 FCEDLP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000262788320 526378154 /nfs/dbraw/zinc/37/81/54/526378154.db2.gz NCNOXVNWWSWABZ-INIZCTEOSA-N 3 2 362.547 0.441 20 30 FCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262580072 526387864 /nfs/dbraw/zinc/38/78/64/526387864.db2.gz QESOJUIWHVEEFT-INIZCTEOSA-N 2 2 374.489 0.618 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC000195199821 526924510 /nfs/dbraw/zinc/92/45/10/526924510.db2.gz RNTCGLKPCCXHQE-UHFFFAOYSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905710 527105604 /nfs/dbraw/zinc/10/56/04/527105604.db2.gz KVUOXOOIBAEAJF-GOSISDBHSA-N 2 2 357.454 0.721 20 30 FCEDLP CC(C)C[NH+]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1 ZINC000262262368 527986982 /nfs/dbraw/zinc/98/69/82/527986982.db2.gz SLSIYIFOLHKNON-OAHLLOKOSA-N 2 2 356.536 0.803 20 30 FCEDLP CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261993797 528805482 /nfs/dbraw/zinc/80/54/82/528805482.db2.gz RYYHLQHLBYUDQW-KBPBESRZSA-N 2 2 361.450 0.283 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H](C)O1 ZINC000329479408 546555129 /nfs/dbraw/zinc/55/51/29/546555129.db2.gz QMCNLWCOCWQUKX-BZUAXINKSA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000329479408 546555134 /nfs/dbraw/zinc/55/51/34/546555134.db2.gz QMCNLWCOCWQUKX-BZUAXINKSA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C[C@@H](C)O1 ZINC000329479408 546555138 /nfs/dbraw/zinc/55/51/38/546555138.db2.gz QMCNLWCOCWQUKX-BZUAXINKSA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C[C@@H](C)O1 ZINC000329479408 546555141 /nfs/dbraw/zinc/55/51/41/546555141.db2.gz QMCNLWCOCWQUKX-BZUAXINKSA-N 2 2 355.527 0.624 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709284 664944400 /nfs/dbraw/zinc/94/44/00/664944400.db2.gz ILLSWUZHFAIQQM-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709284 664944401 /nfs/dbraw/zinc/94/44/01/664944401.db2.gz ILLSWUZHFAIQQM-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000884205898 673437556 /nfs/dbraw/zinc/43/75/56/673437556.db2.gz IPTKOFHZJCCRSK-INIZCTEOSA-N 2 2 352.479 0.108 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001691286285 1171038566 /nfs/dbraw/zinc/03/85/66/1171038566.db2.gz SDOXNEZDLVBFDK-FUHWJXTLSA-N 2 2 370.457 0.228 20 30 FCEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506660 1179830260 /nfs/dbraw/zinc/83/02/60/1179830260.db2.gz MQSIMRITXYMHRB-QRVBRYPASA-N 2 2 363.502 0.718 20 30 FCEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506660 1179830261 /nfs/dbraw/zinc/83/02/61/1179830261.db2.gz MQSIMRITXYMHRB-QRVBRYPASA-N 2 2 363.502 0.718 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC1 ZINC000972601165 1179914215 /nfs/dbraw/zinc/91/42/15/1179914215.db2.gz JFUHPQHPRHAZCH-QZTJIDSGSA-N 2 2 369.469 0.288 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645238 1187583720 /nfs/dbraw/zinc/58/37/20/1187583720.db2.gz ULLGMIKPUNTHGM-ZCNNSNEGSA-N 2 2 353.466 0.901 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645238 1187583726 /nfs/dbraw/zinc/58/37/26/1187583726.db2.gz ULLGMIKPUNTHGM-ZCNNSNEGSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645238 1187583732 /nfs/dbraw/zinc/58/37/32/1187583732.db2.gz ULLGMIKPUNTHGM-ZCNNSNEGSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645238 1187583737 /nfs/dbraw/zinc/58/37/37/1187583737.db2.gz ULLGMIKPUNTHGM-ZCNNSNEGSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261991099 1188169360 /nfs/dbraw/zinc/16/93/60/1188169360.db2.gz RIRPZLXIGFJYHY-OKZBNKHCSA-N 3 2 361.538 0.977 20 30 FCEDLP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261991097 1188169388 /nfs/dbraw/zinc/16/93/88/1188169388.db2.gz RIRPZLXIGFJYHY-BZSNNMDCSA-N 3 2 361.538 0.977 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3CC)CC[C@@H]2C1 ZINC001087997810 1190173292 /nfs/dbraw/zinc/17/32/92/1190173292.db2.gz AFLNJGLOGHLBDC-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3CC)CC[C@@H]2C1 ZINC001087997810 1190173294 /nfs/dbraw/zinc/17/32/94/1190173294.db2.gz AFLNJGLOGHLBDC-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3CC)CC[C@@H]2C1 ZINC001087997810 1190173296 /nfs/dbraw/zinc/17/32/96/1190173296.db2.gz AFLNJGLOGHLBDC-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3CC)CC[C@@H]2C1 ZINC001087997810 1190173297 /nfs/dbraw/zinc/17/32/97/1190173297.db2.gz AFLNJGLOGHLBDC-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)CC1 ZINC000985065687 1190496244 /nfs/dbraw/zinc/49/62/44/1190496244.db2.gz LSFCYYVRCPHUMH-ZWKOTPCHSA-N 2 2 371.485 0.724 20 30 FCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001276762678 1224129114 /nfs/dbraw/zinc/12/91/14/1224129114.db2.gz LUKHWXVWOQJRRU-INIZCTEOSA-N 2 2 361.490 0.282 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC#CCOC)C[C@@H]32)C1 ZINC001218509667 1224164976 /nfs/dbraw/zinc/16/49/76/1224164976.db2.gz GEVALSFOCTYDIE-CEXWTWQISA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC#CCOC)C[C@@H]32)C1 ZINC001218509667 1224164980 /nfs/dbraw/zinc/16/49/80/1224164980.db2.gz GEVALSFOCTYDIE-CEXWTWQISA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#CCOC)C[C@@H]32)C1 ZINC001218509667 1224164981 /nfs/dbraw/zinc/16/49/81/1224164981.db2.gz GEVALSFOCTYDIE-CEXWTWQISA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#CCOC)C[C@@H]32)C1 ZINC001218509667 1224164985 /nfs/dbraw/zinc/16/49/85/1224164985.db2.gz GEVALSFOCTYDIE-CEXWTWQISA-N 2 2 363.502 0.670 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077834 1194290917 /nfs/dbraw/zinc/29/09/17/1194290917.db2.gz CEDVPCDIPUGLMT-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077834 1194290922 /nfs/dbraw/zinc/29/09/22/1194290922.db2.gz CEDVPCDIPUGLMT-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218776769 1224220366 /nfs/dbraw/zinc/22/03/66/1224220366.db2.gz YHTDQBZMSFCTQQ-VQTJNVASSA-N 2 2 371.481 0.923 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218776769 1224220373 /nfs/dbraw/zinc/22/03/73/1224220373.db2.gz YHTDQBZMSFCTQQ-VQTJNVASSA-N 2 2 371.481 0.923 20 30 FCEDLP CCOC(=O)c1cc(C#N)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C)c1O ZINC001218934711 1224264617 /nfs/dbraw/zinc/26/46/17/1224264617.db2.gz JLHFOSXSSSMPKD-VFVRVIDISA-N 2 2 358.398 0.909 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc1 ZINC001083601754 1195664720 /nfs/dbraw/zinc/66/47/20/1195664720.db2.gz LUIPZZNMWBSDLY-MSOLQXFVSA-N 2 2 354.454 0.848 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc1 ZINC001083601754 1195664724 /nfs/dbraw/zinc/66/47/24/1195664724.db2.gz LUIPZZNMWBSDLY-MSOLQXFVSA-N 2 2 354.454 0.848 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727010 1197830059 /nfs/dbraw/zinc/83/00/59/1197830059.db2.gz HEURFPBYGZBOML-FFGOWVMKSA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083727010 1197830061 /nfs/dbraw/zinc/83/00/61/1197830061.db2.gz HEURFPBYGZBOML-FFGOWVMKSA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083727010 1197830063 /nfs/dbraw/zinc/83/00/63/1197830063.db2.gz HEURFPBYGZBOML-FFGOWVMKSA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083727010 1197830068 /nfs/dbraw/zinc/83/00/68/1197830068.db2.gz HEURFPBYGZBOML-FFGOWVMKSA-N 2 2 355.482 0.930 20 30 FCEDLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106474198 1197958031 /nfs/dbraw/zinc/95/80/31/1197958031.db2.gz HZAGCFMNJQXWQN-QRVBRYPASA-N 2 2 365.518 0.821 20 30 FCEDLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106474198 1197958035 /nfs/dbraw/zinc/95/80/35/1197958035.db2.gz HZAGCFMNJQXWQN-QRVBRYPASA-N 2 2 365.518 0.821 20 30 FCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386005 1200109522 /nfs/dbraw/zinc/10/95/22/1200109522.db2.gz VLZRJKRFWNILNC-UAGQMJEPSA-N 2 2 357.462 0.951 20 30 FCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386005 1200109535 /nfs/dbraw/zinc/10/95/35/1200109535.db2.gz VLZRJKRFWNILNC-UAGQMJEPSA-N 2 2 357.462 0.951 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589937 1200410901 /nfs/dbraw/zinc/41/09/01/1200410901.db2.gz KWOKVVQLXOHEAA-YVSFHVDLSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589937 1200410903 /nfs/dbraw/zinc/41/09/03/1200410903.db2.gz KWOKVVQLXOHEAA-YVSFHVDLSA-N 2 2 360.502 0.720 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109839846 1200548731 /nfs/dbraw/zinc/54/87/31/1200548731.db2.gz DAIFNHZKTIEXAV-PMPSAXMXSA-N 2 2 358.446 0.333 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109839846 1200548742 /nfs/dbraw/zinc/54/87/42/1200548742.db2.gz DAIFNHZKTIEXAV-PMPSAXMXSA-N 2 2 358.446 0.333 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563256 1200796247 /nfs/dbraw/zinc/79/62/47/1200796247.db2.gz NJKLABNHYOBFKW-KXBFYZLASA-N 2 2 359.474 0.483 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219842353 1224650276 /nfs/dbraw/zinc/65/02/76/1224650276.db2.gz MVJIFYBSDDQGMW-SQNIBIBYSA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219842353 1224650278 /nfs/dbraw/zinc/65/02/78/1224650278.db2.gz MVJIFYBSDDQGMW-SQNIBIBYSA-N 2 2 362.449 0.945 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001130249137 1201568325 /nfs/dbraw/zinc/56/83/25/1201568325.db2.gz LPGTXKVERRVOCN-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001130249137 1201568329 /nfs/dbraw/zinc/56/83/29/1201568329.db2.gz LPGTXKVERRVOCN-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219923034 1224683816 /nfs/dbraw/zinc/68/38/16/1224683816.db2.gz UIXNBGTYCQEWJF-XKQJLSEDSA-N 2 2 371.441 0.108 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219923034 1224683819 /nfs/dbraw/zinc/68/38/19/1224683819.db2.gz UIXNBGTYCQEWJF-XKQJLSEDSA-N 2 2 371.441 0.108 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001130293542 1201579523 /nfs/dbraw/zinc/57/95/23/1201579523.db2.gz ZHMXCPIWLWCMSW-XLIONFOSSA-N 2 2 371.485 0.772 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616805 1202737187 /nfs/dbraw/zinc/73/71/87/1202737187.db2.gz CFUMXGBXSDKDDY-VDZJLULYSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3C)n2)O1 ZINC001130817135 1202808057 /nfs/dbraw/zinc/80/80/57/1202808057.db2.gz AWPINIWALRWJBK-UONOGXRCSA-N 2 2 357.418 0.069 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103240 1202974262 /nfs/dbraw/zinc/97/42/62/1202974262.db2.gz KVCPQGHRWGWOSQ-IKGGRYGDSA-N 2 2 372.473 0.675 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103240 1202974264 /nfs/dbraw/zinc/97/42/64/1202974264.db2.gz KVCPQGHRWGWOSQ-IKGGRYGDSA-N 2 2 372.473 0.675 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232278 1224811770 /nfs/dbraw/zinc/81/17/70/1224811770.db2.gz NAOGNKOXYAMNLW-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232278 1224811771 /nfs/dbraw/zinc/81/17/71/1224811771.db2.gz NAOGNKOXYAMNLW-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001086997772 1204887980 /nfs/dbraw/zinc/88/79/80/1204887980.db2.gz YPGFWPPAWYJHPD-WCXIOVBPSA-N 2 2 352.442 0.475 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)C1=O ZINC001093286944 1206072569 /nfs/dbraw/zinc/07/25/69/1206072569.db2.gz HMJVIEKQEJGGEX-BZUAXINKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)C1=O ZINC001093813467 1206133918 /nfs/dbraw/zinc/13/39/18/1206133918.db2.gz MFCSEMZKGDGXAE-INMHGKMJSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001093813467 1206133920 /nfs/dbraw/zinc/13/39/20/1206133920.db2.gz MFCSEMZKGDGXAE-INMHGKMJSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094166455 1206197917 /nfs/dbraw/zinc/19/79/17/1206197917.db2.gz CVZQYEFOBVEGCY-BFYDXBDKSA-N 2 2 359.474 0.434 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110161590 1206243760 /nfs/dbraw/zinc/24/37/60/1206243760.db2.gz KZPNDSIOHJVQAT-IKGGRYGDSA-N 2 2 363.506 0.810 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110161590 1206243767 /nfs/dbraw/zinc/24/37/67/1206243767.db2.gz KZPNDSIOHJVQAT-IKGGRYGDSA-N 2 2 363.506 0.810 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110161590 1206243772 /nfs/dbraw/zinc/24/37/72/1206243772.db2.gz KZPNDSIOHJVQAT-IKGGRYGDSA-N 2 2 363.506 0.810 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110161590 1206243777 /nfs/dbraw/zinc/24/37/77/1206243777.db2.gz KZPNDSIOHJVQAT-IKGGRYGDSA-N 2 2 363.506 0.810 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574819 1224941012 /nfs/dbraw/zinc/94/10/12/1224941012.db2.gz JDCMTKHLCLAGQV-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574819 1224941019 /nfs/dbraw/zinc/94/10/19/1224941019.db2.gz JDCMTKHLCLAGQV-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971250 1207405494 /nfs/dbraw/zinc/40/54/94/1207405494.db2.gz GWSSXXMNJPXEGI-YESZJQIVSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971250 1207405497 /nfs/dbraw/zinc/40/54/97/1207405497.db2.gz GWSSXXMNJPXEGI-YESZJQIVSA-N 2 2 371.485 0.679 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001187978575 1207406545 /nfs/dbraw/zinc/40/65/45/1207406545.db2.gz LIYZAEKELNCKFY-ZYSHUDEJSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001187978575 1207406551 /nfs/dbraw/zinc/40/65/51/1207406551.db2.gz LIYZAEKELNCKFY-ZYSHUDEJSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)[C@@H]2C1 ZINC001187978575 1207406555 /nfs/dbraw/zinc/40/65/55/1207406555.db2.gz LIYZAEKELNCKFY-ZYSHUDEJSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)[C@@H]2C1 ZINC001187978575 1207406556 /nfs/dbraw/zinc/40/65/56/1207406556.db2.gz LIYZAEKELNCKFY-ZYSHUDEJSA-N 2 2 371.485 0.973 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948435 1207490754 /nfs/dbraw/zinc/49/07/54/1207490754.db2.gz FDJIKZSEIJPFHG-XYJFISCASA-N 2 2 369.469 0.036 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948435 1207490759 /nfs/dbraw/zinc/49/07/59/1207490759.db2.gz FDJIKZSEIJPFHG-XYJFISCASA-N 2 2 369.469 0.036 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193791350 1207889221 /nfs/dbraw/zinc/88/92/21/1207889221.db2.gz KAZVCAQCUZMEMJ-RTBURBONSA-N 2 2 359.445 0.823 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193791350 1207889224 /nfs/dbraw/zinc/88/92/24/1207889224.db2.gz KAZVCAQCUZMEMJ-RTBURBONSA-N 2 2 359.445 0.823 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193791350 1207889225 /nfs/dbraw/zinc/88/92/25/1207889225.db2.gz KAZVCAQCUZMEMJ-RTBURBONSA-N 2 2 359.445 0.823 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC1 ZINC001195660999 1208033676 /nfs/dbraw/zinc/03/36/76/1208033676.db2.gz DBQYJFTTZFZMTG-IAGOWNOFSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC1 ZINC001195660999 1208033680 /nfs/dbraw/zinc/03/36/80/1208033680.db2.gz DBQYJFTTZFZMTG-IAGOWNOFSA-N 2 2 360.433 0.700 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000371 1208127900 /nfs/dbraw/zinc/12/79/00/1208127900.db2.gz FMEQGYIXOIRFGF-GVDBMIGSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000371 1208127903 /nfs/dbraw/zinc/12/79/03/1208127903.db2.gz FMEQGYIXOIRFGF-GVDBMIGSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000371 1208127908 /nfs/dbraw/zinc/12/79/08/1208127908.db2.gz FMEQGYIXOIRFGF-GVDBMIGSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048986 1208130870 /nfs/dbraw/zinc/13/08/70/1208130870.db2.gz JDCMTKHLCLAGQV-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048986 1208130872 /nfs/dbraw/zinc/13/08/72/1208130872.db2.gz JDCMTKHLCLAGQV-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C#C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000775791966 1208204892 /nfs/dbraw/zinc/20/48/92/1208204892.db2.gz PGBVZWGPYSOYFF-UXHICEINSA-N 2 2 371.481 0.905 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807257 1225081988 /nfs/dbraw/zinc/08/19/88/1225081988.db2.gz SLGFCDJATCBUJR-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807257 1225081996 /nfs/dbraw/zinc/08/19/96/1225081996.db2.gz SLGFCDJATCBUJR-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876721697 1210424882 /nfs/dbraw/zinc/42/48/82/1210424882.db2.gz LHPVJMPQTCRLAR-GOSISDBHSA-N 2 2 355.442 0.025 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158817 1225245388 /nfs/dbraw/zinc/24/53/88/1225245388.db2.gz YEIQRQZYOISSDF-ZACQAIPSSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158817 1225245393 /nfs/dbraw/zinc/24/53/93/1225245393.db2.gz YEIQRQZYOISSDF-ZACQAIPSSA-N 2 2 366.506 0.105 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862530 1211002192 /nfs/dbraw/zinc/00/21/92/1211002192.db2.gz UVMOKVVKZVLHHW-ZACQAIPSSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862530 1211002196 /nfs/dbraw/zinc/00/21/96/1211002196.db2.gz UVMOKVVKZVLHHW-ZACQAIPSSA-N 2 2 360.502 0.722 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274432885 1211053926 /nfs/dbraw/zinc/05/39/26/1211053926.db2.gz LUJHIHMHFKRTLT-HDICACEKSA-N 2 2 359.474 0.447 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274432885 1211053928 /nfs/dbraw/zinc/05/39/28/1211053928.db2.gz LUJHIHMHFKRTLT-HDICACEKSA-N 2 2 359.474 0.447 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886073 1211463417 /nfs/dbraw/zinc/46/34/17/1211463417.db2.gz KWOKVVQLXOHEAA-VQHPVUNQSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886073 1211463420 /nfs/dbraw/zinc/46/34/20/1211463420.db2.gz KWOKVVQLXOHEAA-VQHPVUNQSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098421 1211879625 /nfs/dbraw/zinc/87/96/25/1211879625.db2.gz CSTXYPXKQMTZJJ-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098421 1211879627 /nfs/dbraw/zinc/87/96/27/1211879627.db2.gz CSTXYPXKQMTZJJ-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098421 1211879630 /nfs/dbraw/zinc/87/96/30/1211879630.db2.gz CSTXYPXKQMTZJJ-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098421 1211879632 /nfs/dbraw/zinc/87/96/32/1211879632.db2.gz CSTXYPXKQMTZJJ-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC000949940083 1212488976 /nfs/dbraw/zinc/48/89/76/1212488976.db2.gz JRIZPRWSGGEOLJ-ZACQAIPSSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC000949940083 1212488978 /nfs/dbraw/zinc/48/89/78/1212488978.db2.gz JRIZPRWSGGEOLJ-ZACQAIPSSA-N 2 2 360.502 0.531 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406181 1212992346 /nfs/dbraw/zinc/99/23/46/1212992346.db2.gz XPLZXQFNPFNXFX-VQHPVUNQSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406181 1212992348 /nfs/dbraw/zinc/99/23/48/1212992348.db2.gz XPLZXQFNPFNXFX-VQHPVUNQSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406181 1212992352 /nfs/dbraw/zinc/99/23/52/1212992352.db2.gz XPLZXQFNPFNXFX-VQHPVUNQSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406181 1212992358 /nfs/dbraw/zinc/99/23/58/1212992358.db2.gz XPLZXQFNPFNXFX-VQHPVUNQSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408151 1212993258 /nfs/dbraw/zinc/99/32/58/1212993258.db2.gz KVCPQGHRWGWOSQ-ZACQAIPSSA-N 2 2 372.473 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1220371417 /nfs/dbraw/zinc/37/14/17/1220371417.db2.gz NUCIXQVSXYNPGQ-QAPCUYQASA-N 2 2 358.446 0.083 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380312 1220601884 /nfs/dbraw/zinc/60/18/84/1220601884.db2.gz CNEDPOBARLRBHQ-KLHDSHLOSA-N 2 2 359.474 0.510 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380312 1220601890 /nfs/dbraw/zinc/60/18/90/1220601890.db2.gz CNEDPOBARLRBHQ-KLHDSHLOSA-N 2 2 359.474 0.510 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)C1=O ZINC001102532127 1220684409 /nfs/dbraw/zinc/68/44/09/1220684409.db2.gz VOAUREFLBSJORA-UNEWFSDZSA-N 2 2 359.474 0.732 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)C1=O ZINC001102532127 1220684411 /nfs/dbraw/zinc/68/44/11/1220684411.db2.gz VOAUREFLBSJORA-UNEWFSDZSA-N 2 2 359.474 0.732 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111766981 1221097710 /nfs/dbraw/zinc/09/77/10/1221097710.db2.gz KUPIRDPJMGVERW-DAYGRLMNSA-N 2 2 367.469 0.277 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111766981 1221097711 /nfs/dbraw/zinc/09/77/11/1221097711.db2.gz KUPIRDPJMGVERW-DAYGRLMNSA-N 2 2 367.469 0.277 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938173 1221178677 /nfs/dbraw/zinc/17/86/77/1221178677.db2.gz OKYYJXJWHXZSPM-VCBZYWHSSA-N 2 2 359.474 0.624 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938173 1221178680 /nfs/dbraw/zinc/17/86/80/1221178680.db2.gz OKYYJXJWHXZSPM-VCBZYWHSSA-N 2 2 359.474 0.624 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112328537 1221238795 /nfs/dbraw/zinc/23/87/95/1221238795.db2.gz KVAWAZZJSVEQBC-FTRWYGJKSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230019413 1226045839 /nfs/dbraw/zinc/04/58/39/1226045839.db2.gz YDUGQFPBWXMRGG-USXIJHARSA-N 2 2 359.474 0.508 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC001119471279 1221921131 /nfs/dbraw/zinc/92/11/31/1221921131.db2.gz FRAWSENAUQFEME-QGZVFWFLSA-N 2 2 356.470 0.943 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC001119471279 1221921134 /nfs/dbraw/zinc/92/11/34/1221921134.db2.gz FRAWSENAUQFEME-QGZVFWFLSA-N 2 2 356.470 0.943 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121790778 1222212525 /nfs/dbraw/zinc/21/25/25/1222212525.db2.gz BOYZURRAJXUOIE-AGTUJZOGSA-N 2 2 370.457 0.180 20 30 FCEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139769649 1222557989 /nfs/dbraw/zinc/55/79/89/1222557989.db2.gz MMBQOVINBFTEAD-QZTJIDSGSA-N 2 2 361.490 0.680 20 30 FCEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139769649 1222557996 /nfs/dbraw/zinc/55/79/96/1222557996.db2.gz MMBQOVINBFTEAD-QZTJIDSGSA-N 2 2 361.490 0.680 20 30 FCEDLP C=CCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139769649 1222558001 /nfs/dbraw/zinc/55/80/01/1222558001.db2.gz MMBQOVINBFTEAD-QZTJIDSGSA-N 2 2 361.490 0.680 20 30 FCEDLP C=CCn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139769649 1222558008 /nfs/dbraw/zinc/55/80/08/1222558008.db2.gz MMBQOVINBFTEAD-QZTJIDSGSA-N 2 2 361.490 0.680 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478864 1223161712 /nfs/dbraw/zinc/16/17/12/1223161712.db2.gz BVMQOHRKMVTDGL-NVXWUHKLSA-N 2 2 364.490 0.146 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478864 1223161715 /nfs/dbraw/zinc/16/17/15/1223161715.db2.gz BVMQOHRKMVTDGL-NVXWUHKLSA-N 2 2 364.490 0.146 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478864 1223161719 /nfs/dbraw/zinc/16/17/19/1223161719.db2.gz BVMQOHRKMVTDGL-NVXWUHKLSA-N 2 2 364.490 0.146 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478864 1223161722 /nfs/dbraw/zinc/16/17/22/1223161722.db2.gz BVMQOHRKMVTDGL-NVXWUHKLSA-N 2 2 364.490 0.146 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422590 1223543196 /nfs/dbraw/zinc/54/31/96/1223543196.db2.gz RLIYHUSHLJRXRU-IJEWVQPXSA-N 2 2 360.458 0.529 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422590 1223543199 /nfs/dbraw/zinc/54/31/99/1223543199.db2.gz RLIYHUSHLJRXRU-IJEWVQPXSA-N 2 2 360.458 0.529 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768735 1223648372 /nfs/dbraw/zinc/64/83/72/1223648372.db2.gz FJQHWLNBERKDKF-RHSMWYFYSA-N 2 2 366.425 0.067 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768735 1223648373 /nfs/dbraw/zinc/64/83/73/1223648373.db2.gz FJQHWLNBERKDKF-RHSMWYFYSA-N 2 2 366.425 0.067 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210180058 1223673228 /nfs/dbraw/zinc/67/32/28/1223673228.db2.gz XIKYWKBJAVRKLJ-KZNAEPCWSA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210180058 1223673232 /nfs/dbraw/zinc/67/32/32/1223673232.db2.gz XIKYWKBJAVRKLJ-KZNAEPCWSA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210180058 1223673234 /nfs/dbraw/zinc/67/32/34/1223673234.db2.gz XIKYWKBJAVRKLJ-KZNAEPCWSA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210180058 1223673237 /nfs/dbraw/zinc/67/32/37/1223673237.db2.gz XIKYWKBJAVRKLJ-KZNAEPCWSA-N 2 2 362.518 0.827 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001211300021 1223733715 /nfs/dbraw/zinc/73/37/15/1223733715.db2.gz HRWCZULHKHWPNX-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001211300021 1223733718 /nfs/dbraw/zinc/73/37/18/1223733718.db2.gz HRWCZULHKHWPNX-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366861 1223737910 /nfs/dbraw/zinc/73/79/10/1223737910.db2.gz MDWACLGVGDYBEI-LMMKCTJWSA-N 2 2 362.518 0.683 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366861 1223737912 /nfs/dbraw/zinc/73/79/12/1223737912.db2.gz MDWACLGVGDYBEI-LMMKCTJWSA-N 2 2 362.518 0.683 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728585 1223840205 /nfs/dbraw/zinc/84/02/05/1223840205.db2.gz NSHPXNVEVRRUFT-QZTJIDSGSA-N 2 2 360.458 0.452 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728585 1223840207 /nfs/dbraw/zinc/84/02/07/1223840207.db2.gz NSHPXNVEVRRUFT-QZTJIDSGSA-N 2 2 360.458 0.452 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC001217005712 1224083754 /nfs/dbraw/zinc/08/37/54/1224083754.db2.gz PJSFPAWEVUAYTQ-CRAIPNDOSA-N 2 2 365.437 0.940 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000939122712 1245997280 /nfs/dbraw/zinc/99/72/80/1245997280.db2.gz CWIKNPOXCCNTCM-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000939122712 1245997287 /nfs/dbraw/zinc/99/72/87/1245997287.db2.gz CWIKNPOXCCNTCM-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000939122712 1245997293 /nfs/dbraw/zinc/99/72/93/1245997293.db2.gz CWIKNPOXCCNTCM-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000939122712 1245997300 /nfs/dbraw/zinc/99/73/00/1245997300.db2.gz CWIKNPOXCCNTCM-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000976879892 1248443700 /nfs/dbraw/zinc/44/37/00/1248443700.db2.gz VSRMTPFGKLJZNK-KURKYZTESA-N 2 2 371.485 0.833 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000976879892 1248443705 /nfs/dbraw/zinc/44/37/05/1248443705.db2.gz VSRMTPFGKLJZNK-KURKYZTESA-N 2 2 371.485 0.833 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC000997770322 1251698795 /nfs/dbraw/zinc/69/87/95/1251698795.db2.gz VKEOECPFEXEZJS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC000997770322 1251698804 /nfs/dbraw/zinc/69/88/04/1251698804.db2.gz VKEOECPFEXEZJS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c[nH+]cc1C ZINC000997773383 1251700461 /nfs/dbraw/zinc/70/04/61/1251700461.db2.gz DRUMPNQHESDQAQ-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c[nH+]cc1C ZINC000997773383 1251700462 /nfs/dbraw/zinc/70/04/62/1251700462.db2.gz DRUMPNQHESDQAQ-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005756125 1253625552 /nfs/dbraw/zinc/62/55/52/1253625552.db2.gz NORHXKSJESHFRR-MOPGFXCFSA-N 2 2 363.502 0.812 20 30 FCEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cnc12 ZINC001329508384 1265772079 /nfs/dbraw/zinc/77/20/79/1265772079.db2.gz WKXYYVJKLRBDCA-QGZVFWFLSA-N 2 2 355.446 0.097 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005602 1255162370 /nfs/dbraw/zinc/16/23/70/1255162370.db2.gz GJJIRBJMDKKFDL-QXAKKESOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005602 1255162376 /nfs/dbraw/zinc/16/23/76/1255162376.db2.gz GJJIRBJMDKKFDL-QXAKKESOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005602 1255162382 /nfs/dbraw/zinc/16/23/82/1255162382.db2.gz GJJIRBJMDKKFDL-QXAKKESOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005602 1255162388 /nfs/dbraw/zinc/16/23/88/1255162388.db2.gz GJJIRBJMDKKFDL-QXAKKESOSA-N 2 2 359.445 0.680 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C ZINC001079878039 1255649227 /nfs/dbraw/zinc/64/92/27/1255649227.db2.gz CSFYCRBLZKYIPV-QRQLOZEOSA-N 2 2 357.502 0.980 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1C ZINC001079878039 1255649230 /nfs/dbraw/zinc/64/92/30/1255649230.db2.gz CSFYCRBLZKYIPV-QRQLOZEOSA-N 2 2 357.502 0.980 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1C ZINC001079878039 1255649234 /nfs/dbraw/zinc/64/92/34/1255649234.db2.gz CSFYCRBLZKYIPV-QRQLOZEOSA-N 2 2 357.502 0.980 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1C ZINC001079878039 1255649236 /nfs/dbraw/zinc/64/92/36/1255649236.db2.gz CSFYCRBLZKYIPV-QRQLOZEOSA-N 2 2 357.502 0.980 20 30 FCEDLP CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368435 1256716569 /nfs/dbraw/zinc/71/65/69/1256716569.db2.gz BJDXTZRSACXMNR-QXAKKESOSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368435 1256716574 /nfs/dbraw/zinc/71/65/74/1256716574.db2.gz BJDXTZRSACXMNR-QXAKKESOSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368435 1256716579 /nfs/dbraw/zinc/71/65/79/1256716579.db2.gz BJDXTZRSACXMNR-QXAKKESOSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368435 1256716583 /nfs/dbraw/zinc/71/65/83/1256716583.db2.gz BJDXTZRSACXMNR-QXAKKESOSA-N 2 2 359.445 0.944 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2OC)CC1 ZINC001082384199 1256735145 /nfs/dbraw/zinc/73/51/45/1256735145.db2.gz IORUSHCFSRSLCY-ATZDWAIDSA-N 2 2 371.485 0.698 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2OC)CC1 ZINC001082384199 1256735149 /nfs/dbraw/zinc/73/51/49/1256735149.db2.gz IORUSHCFSRSLCY-ATZDWAIDSA-N 2 2 371.485 0.698 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001082659145 1256963037 /nfs/dbraw/zinc/96/30/37/1256963037.db2.gz WHMJVPIURSPYIH-BZUAXINKSA-N 2 2 359.474 0.576 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140146 1257389305 /nfs/dbraw/zinc/38/93/05/1257389305.db2.gz ONIHACUBDBJPFI-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140146 1257389312 /nfs/dbraw/zinc/38/93/12/1257389312.db2.gz ONIHACUBDBJPFI-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052956 1257866741 /nfs/dbraw/zinc/86/67/41/1257866741.db2.gz NRDJSKOBBLBOKE-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052956 1257866748 /nfs/dbraw/zinc/86/67/48/1257866748.db2.gz NRDJSKOBBLBOKE-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084052956 1257866758 /nfs/dbraw/zinc/86/67/58/1257866758.db2.gz NRDJSKOBBLBOKE-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052956 1257866774 /nfs/dbraw/zinc/86/67/74/1257866774.db2.gz NRDJSKOBBLBOKE-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1C#N ZINC001084059528 1257876904 /nfs/dbraw/zinc/87/69/04/1257876904.db2.gz MPYTZGMHQFYXNI-SJORKVTESA-N 2 2 369.425 0.433 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1C#N ZINC001084059528 1257876917 /nfs/dbraw/zinc/87/69/17/1257876917.db2.gz MPYTZGMHQFYXNI-SJORKVTESA-N 2 2 369.425 0.433 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085105795 1258598519 /nfs/dbraw/zinc/59/85/19/1258598519.db2.gz GPWARUCCLHEOBG-BBWFWOEESA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085105795 1258598523 /nfs/dbraw/zinc/59/85/23/1258598523.db2.gz GPWARUCCLHEOBG-BBWFWOEESA-N 2 2 357.458 0.593 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945357 1258767926 /nfs/dbraw/zinc/76/79/26/1258767926.db2.gz ODPHSTHNGCKOFM-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945357 1258767929 /nfs/dbraw/zinc/76/79/29/1258767929.db2.gz ODPHSTHNGCKOFM-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945357 1258767933 /nfs/dbraw/zinc/76/79/33/1258767933.db2.gz ODPHSTHNGCKOFM-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945357 1258767936 /nfs/dbraw/zinc/76/79/36/1258767936.db2.gz ODPHSTHNGCKOFM-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC)CC2 ZINC001107439905 1259089200 /nfs/dbraw/zinc/08/92/00/1259089200.db2.gz ZIIUZXZYCXUWSV-SQGPQFPESA-N 2 2 360.502 0.581 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107439905 1259089208 /nfs/dbraw/zinc/08/92/08/1259089208.db2.gz ZIIUZXZYCXUWSV-SQGPQFPESA-N 2 2 360.502 0.581 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC)CC2 ZINC001107439905 1259089211 /nfs/dbraw/zinc/08/92/11/1259089211.db2.gz ZIIUZXZYCXUWSV-SQGPQFPESA-N 2 2 360.502 0.581 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC)CC2 ZINC001107439905 1259089215 /nfs/dbraw/zinc/08/92/15/1259089215.db2.gz ZIIUZXZYCXUWSV-SQGPQFPESA-N 2 2 360.502 0.581 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107439720 1259090382 /nfs/dbraw/zinc/09/03/82/1259090382.db2.gz OJFTUXICIRVUAN-SQGPQFPESA-N 2 2 371.485 0.085 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107439720 1259090386 /nfs/dbraw/zinc/09/03/86/1259090386.db2.gz OJFTUXICIRVUAN-SQGPQFPESA-N 2 2 371.485 0.085 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107439720 1259090393 /nfs/dbraw/zinc/09/03/93/1259090393.db2.gz OJFTUXICIRVUAN-SQGPQFPESA-N 2 2 371.485 0.085 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107439720 1259090399 /nfs/dbraw/zinc/09/03/99/1259090399.db2.gz OJFTUXICIRVUAN-SQGPQFPESA-N 2 2 371.485 0.085 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496080 1259526126 /nfs/dbraw/zinc/52/61/26/1259526126.db2.gz YBTVCHWSOHJHDK-QZTJIDSGSA-N 2 2 356.426 0.722 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496080 1259526130 /nfs/dbraw/zinc/52/61/30/1259526130.db2.gz YBTVCHWSOHJHDK-QZTJIDSGSA-N 2 2 356.426 0.722 20 30 FCEDLP C#CCOC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001251885417 1259768831 /nfs/dbraw/zinc/76/88/31/1259768831.db2.gz VDBIDPAHDMBYEI-LJQANCHMSA-N 2 2 361.486 0.808 20 30 FCEDLP C#CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001251885416 1259769518 /nfs/dbraw/zinc/76/95/18/1259769518.db2.gz VDBIDPAHDMBYEI-IBGZPJMESA-N 2 2 361.486 0.808 20 30 FCEDLP N#CC1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001256963309 1259984021 /nfs/dbraw/zinc/98/40/21/1259984021.db2.gz GDGBQAOTWPXMOS-BGHVQYPCSA-N 2 2 358.446 0.484 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H](C#N)C3)CC2)CC1 ZINC001262231940 1260284495 /nfs/dbraw/zinc/28/44/95/1260284495.db2.gz QOSXDXHETBMYOG-OAHLLOKOSA-N 2 2 361.490 0.423 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324883297 1264726332 /nfs/dbraw/zinc/72/63/32/1264726332.db2.gz VPSVHQXNLSOXHZ-QAPCUYQASA-N 2 2 365.453 0.077 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324883297 1264726338 /nfs/dbraw/zinc/72/63/38/1264726338.db2.gz VPSVHQXNLSOXHZ-QAPCUYQASA-N 2 2 365.453 0.077 20 30 FCEDLP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001566674112 1269655882 /nfs/dbraw/zinc/65/58/82/1269655882.db2.gz DRPNNSRAEYVIAM-KSZLIROESA-N 2 2 369.469 0.162 20 30 FCEDLP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001566674112 1269655886 /nfs/dbraw/zinc/65/58/86/1269655886.db2.gz DRPNNSRAEYVIAM-KSZLIROESA-N 2 2 369.469 0.162 20 30 FCEDLP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001566674112 1269655889 /nfs/dbraw/zinc/65/58/89/1269655889.db2.gz DRPNNSRAEYVIAM-KSZLIROESA-N 2 2 369.469 0.162 20 30 FCEDLP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001566674112 1269655893 /nfs/dbraw/zinc/65/58/93/1269655893.db2.gz DRPNNSRAEYVIAM-KSZLIROESA-N 2 2 369.469 0.162 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[NH2+]CC[C@H]2C)CC1 ZINC001574707739 1271498605 /nfs/dbraw/zinc/49/86/05/1271498605.db2.gz YHMKQRGLOGTHAX-WBVHZDCISA-N 2 2 368.489 0.432 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001574707597 1271498769 /nfs/dbraw/zinc/49/87/69/1271498769.db2.gz WVJZSYNOYBZSGW-WNRNVDISSA-N 2 2 372.517 0.789 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001667893964 1291949163 /nfs/dbraw/zinc/94/91/63/1291949163.db2.gz NYYYSSBPHXILGH-GVDBMIGSSA-N 2 2 353.426 0.662 20 30 FCEDLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC#CCOC ZINC001689066846 1294589676 /nfs/dbraw/zinc/58/96/76/1294589676.db2.gz FPQVGKIYTUESQB-YFHUEUNASA-N 2 2 360.458 0.616 20 30 FCEDLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC#CCOC ZINC001689066846 1294589686 /nfs/dbraw/zinc/58/96/86/1294589686.db2.gz FPQVGKIYTUESQB-YFHUEUNASA-N 2 2 360.458 0.616 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001689184534 1294653547 /nfs/dbraw/zinc/65/35/47/1294653547.db2.gz JJGAOSLIHZSFNF-BPQIPLTHSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001689184534 1294653561 /nfs/dbraw/zinc/65/35/61/1294653561.db2.gz JJGAOSLIHZSFNF-BPQIPLTHSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689190057 1294659632 /nfs/dbraw/zinc/65/96/32/1294659632.db2.gz ZLDNVAVJTLHOHJ-KSZLIROESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689190057 1294659636 /nfs/dbraw/zinc/65/96/36/1294659636.db2.gz ZLDNVAVJTLHOHJ-KSZLIROESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001689190057 1294659643 /nfs/dbraw/zinc/65/96/43/1294659643.db2.gz ZLDNVAVJTLHOHJ-KSZLIROESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001689190057 1294659648 /nfs/dbraw/zinc/65/96/48/1294659648.db2.gz ZLDNVAVJTLHOHJ-KSZLIROESA-N 2 2 362.518 0.968 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001689323435 1294749842 /nfs/dbraw/zinc/74/98/42/1294749842.db2.gz JLMKEBQMPGYRTB-MSOLQXFVSA-N 2 2 351.491 0.718 20 30 FCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001689323435 1294749854 /nfs/dbraw/zinc/74/98/54/1294749854.db2.gz JLMKEBQMPGYRTB-MSOLQXFVSA-N 2 2 351.491 0.718 20 30 FCEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001691840931 1294938407 /nfs/dbraw/zinc/93/84/07/1294938407.db2.gz LOKVJJIWMPBDPS-QKPAOTATSA-N 2 2 372.473 0.380 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175397 839380507 /nfs/dbraw/zinc/38/05/07/839380507.db2.gz YOPSVFKVRABGMZ-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175397 839380521 /nfs/dbraw/zinc/38/05/21/839380521.db2.gz YOPSVFKVRABGMZ-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175397 839380533 /nfs/dbraw/zinc/38/05/33/839380533.db2.gz YOPSVFKVRABGMZ-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175397 839380549 /nfs/dbraw/zinc/38/05/49/839380549.db2.gz YOPSVFKVRABGMZ-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)CC1 ZINC001078227050 839415484 /nfs/dbraw/zinc/41/54/84/839415484.db2.gz GZKJLEOSBITXPJ-IAGOWNOFSA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)CC1 ZINC001078227050 839415494 /nfs/dbraw/zinc/41/54/94/839415494.db2.gz GZKJLEOSBITXPJ-IAGOWNOFSA-N 2 2 362.499 0.458 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177381 839678048 /nfs/dbraw/zinc/67/80/48/839678048.db2.gz JHMPPTAJHKTGKI-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177381 839678053 /nfs/dbraw/zinc/67/80/53/839678053.db2.gz JHMPPTAJHKTGKI-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1O ZINC001083535676 841139320 /nfs/dbraw/zinc/13/93/20/841139320.db2.gz FQCOWFZIGNNDBU-SQNIBIBYSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1O ZINC001083535676 841139328 /nfs/dbraw/zinc/13/93/28/841139328.db2.gz FQCOWFZIGNNDBU-SQNIBIBYSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccsc2)C[C@@H]1O ZINC001083535676 841139333 /nfs/dbraw/zinc/13/93/33/841139333.db2.gz FQCOWFZIGNNDBU-SQNIBIBYSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccsc2)C[C@@H]1O ZINC001083535676 841139339 /nfs/dbraw/zinc/13/93/39/841139339.db2.gz FQCOWFZIGNNDBU-SQNIBIBYSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2O)CC1 ZINC001084089388 841697833 /nfs/dbraw/zinc/69/78/33/841697833.db2.gz GZKJLEOSBITXPJ-SJORKVTESA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2O)CC1 ZINC001084089388 841697837 /nfs/dbraw/zinc/69/78/37/841697837.db2.gz GZKJLEOSBITXPJ-SJORKVTESA-N 2 2 362.499 0.458 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972861 842200968 /nfs/dbraw/zinc/20/09/68/842200968.db2.gz DJAXXSOFBCWYQT-ARFHVFGLSA-N 2 2 367.881 0.387 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972861 842200979 /nfs/dbraw/zinc/20/09/79/842200979.db2.gz DJAXXSOFBCWYQT-ARFHVFGLSA-N 2 2 367.881 0.387 20 30 FCEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545917 843442371 /nfs/dbraw/zinc/44/23/71/843442371.db2.gz XMPRPIXGSNSZOA-CRAIPNDOSA-N 2 2 351.491 0.973 20 30 FCEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545917 843442377 /nfs/dbraw/zinc/44/23/77/843442377.db2.gz XMPRPIXGSNSZOA-CRAIPNDOSA-N 2 2 351.491 0.973 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030159 848798172 /nfs/dbraw/zinc/79/81/72/848798172.db2.gz SHSULOKVLSHFDL-XHSDSOJGSA-N 2 2 350.442 0.323 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030159 848798176 /nfs/dbraw/zinc/79/81/76/848798176.db2.gz SHSULOKVLSHFDL-XHSDSOJGSA-N 2 2 350.442 0.323 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316843 849096358 /nfs/dbraw/zinc/09/63/58/849096358.db2.gz YEEKFHXPBMHLBJ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316843 849096363 /nfs/dbraw/zinc/09/63/63/849096363.db2.gz YEEKFHXPBMHLBJ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316843 849096367 /nfs/dbraw/zinc/09/63/67/849096367.db2.gz YEEKFHXPBMHLBJ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316843 849096372 /nfs/dbraw/zinc/09/63/72/849096372.db2.gz YEEKFHXPBMHLBJ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209706173 854047822 /nfs/dbraw/zinc/04/78/22/854047822.db2.gz WCRLRDQLLRSMCX-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209706173 854047825 /nfs/dbraw/zinc/04/78/25/854047825.db2.gz WCRLRDQLLRSMCX-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221865 854539976 /nfs/dbraw/zinc/53/99/76/854539976.db2.gz SYLRBTKAJPCIJG-IAGOWNOFSA-N 2 2 351.491 0.716 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221865 854539980 /nfs/dbraw/zinc/53/99/80/854539980.db2.gz SYLRBTKAJPCIJG-IAGOWNOFSA-N 2 2 351.491 0.716 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001213592528 854678755 /nfs/dbraw/zinc/67/87/55/854678755.db2.gz AJPYMKLAFCYIDN-KURKYZTESA-N 2 2 353.507 0.818 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001213592528 854678756 /nfs/dbraw/zinc/67/87/56/854678756.db2.gz AJPYMKLAFCYIDN-KURKYZTESA-N 2 2 353.507 0.818 20 30 FCEDLP O=C(NCCn1cc[nH+]c1)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001219564305 855716302 /nfs/dbraw/zinc/71/63/02/855716302.db2.gz XOBJTJNHQKZGQU-GJZGRUSLSA-N 2 2 359.455 0.912 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCC(F)F)C[C@H]21 ZINC001221626152 856628908 /nfs/dbraw/zinc/62/89/08/856628908.db2.gz STTFWYRWVMXPOE-OWCLPIDISA-N 2 2 355.429 0.898 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCC(F)F)C[C@H]21 ZINC001221626152 856628911 /nfs/dbraw/zinc/62/89/11/856628911.db2.gz STTFWYRWVMXPOE-OWCLPIDISA-N 2 2 355.429 0.898 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCC(F)F)C[C@H]21 ZINC001221626152 856628916 /nfs/dbraw/zinc/62/89/16/856628916.db2.gz STTFWYRWVMXPOE-OWCLPIDISA-N 2 2 355.429 0.898 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCC(F)F)C[C@H]21 ZINC001221626152 856628919 /nfs/dbraw/zinc/62/89/19/856628919.db2.gz STTFWYRWVMXPOE-OWCLPIDISA-N 2 2 355.429 0.898 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001251836012 857757148 /nfs/dbraw/zinc/75/71/48/857757148.db2.gz SSKFAESEENMISY-GOSISDBHSA-N 2 2 352.475 0.737 20 30 FCEDLP C=CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435683672 248009162 /nfs/dbraw/zinc/00/91/62/248009162.db2.gz RNOIJYKHIAPELX-AWEZNQCLSA-N 2 2 360.462 0.376 20 30 FCEDLP C[NH+](C)CCOCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471645246 250111598 /nfs/dbraw/zinc/11/15/98/250111598.db2.gz XTRBBMVUPMAQEN-UHFFFAOYSA-N 2 2 359.474 0.964 20 30 FCEDLP COC[C@H](C)NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264071100 229321829 /nfs/dbraw/zinc/32/18/29/229321829.db2.gz DFHVSWNATPCTNT-HNNXBMFYSA-N 2 2 350.463 0.837 20 30 FCEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000299684741 488867400 /nfs/dbraw/zinc/86/74/00/488867400.db2.gz SFBNJOFWLKHYHM-KRWDZBQOSA-N 2 2 355.486 0.838 20 30 FCEDLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000328897627 488948486 /nfs/dbraw/zinc/94/84/86/488948486.db2.gz CSWXSYYQWLAOJR-CABCVRRESA-N 2 2 370.519 0.313 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993864 488958610 /nfs/dbraw/zinc/95/86/10/488958610.db2.gz DWIPWNAOTNYZII-OAGGEKHMSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993864 488958612 /nfs/dbraw/zinc/95/86/12/488958612.db2.gz DWIPWNAOTNYZII-OAGGEKHMSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993864 488958615 /nfs/dbraw/zinc/95/86/15/488958615.db2.gz DWIPWNAOTNYZII-OAGGEKHMSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993864 488958617 /nfs/dbraw/zinc/95/86/17/488958617.db2.gz DWIPWNAOTNYZII-OAGGEKHMSA-N 2 2 367.494 0.602 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000043999450 487907892 /nfs/dbraw/zinc/90/78/92/487907892.db2.gz ZWEDHOBHGGBSTJ-MRXNPFEDSA-N 2 2 356.474 0.628 20 30 FCEDLP CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000126886549 488613027 /nfs/dbraw/zinc/61/30/27/488613027.db2.gz NKTCTSLSEAHJRN-UHFFFAOYSA-N 2 2 372.473 0.197 20 30 FCEDLP COCCOCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000273425936 488650024 /nfs/dbraw/zinc/65/00/24/488650024.db2.gz JBEGFXVTLUTVHW-UHFFFAOYSA-N 2 2 351.447 0.943 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000364760199 488998898 /nfs/dbraw/zinc/99/88/98/488998898.db2.gz VJQRAQGRXYYENJ-MRXNPFEDSA-N 2 2 355.442 0.781 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000364760199 488998900 /nfs/dbraw/zinc/99/89/00/488998900.db2.gz VJQRAQGRXYYENJ-MRXNPFEDSA-N 2 2 355.442 0.781 20 30 FCEDLP CCN1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329976926 489057622 /nfs/dbraw/zinc/05/76/22/489057622.db2.gz ZCHONJHIXNSGFE-HZPDHXFCSA-N 2 2 363.510 0.638 20 30 FCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330206367 489080567 /nfs/dbraw/zinc/08/05/67/489080567.db2.gz DEWIGKOEZUGJFK-IAGOWNOFSA-N 2 2 367.538 0.721 20 30 FCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330206367 489080568 /nfs/dbraw/zinc/08/05/68/489080568.db2.gz DEWIGKOEZUGJFK-IAGOWNOFSA-N 2 2 367.538 0.721 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@H]21 ZINC000330221607 489081419 /nfs/dbraw/zinc/08/14/19/489081419.db2.gz LVLHZZCPNZVCOF-ZJPYXAASSA-N 2 2 366.506 0.683 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@H]21 ZINC000330221607 489081421 /nfs/dbraw/zinc/08/14/21/489081421.db2.gz LVLHZZCPNZVCOF-ZJPYXAASSA-N 2 2 366.506 0.683 20 30 FCEDLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330290241 489088710 /nfs/dbraw/zinc/08/87/10/489088710.db2.gz CGVCWSNVKCOMAW-SJORKVTESA-N 2 2 354.495 0.542 20 30 FCEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371593255 489489530 /nfs/dbraw/zinc/48/95/30/489489530.db2.gz SHGQAKKZQGCNCP-LJQANCHMSA-N 2 2 355.486 0.886 20 30 FCEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371593255 489489531 /nfs/dbraw/zinc/48/95/31/489489531.db2.gz SHGQAKKZQGCNCP-LJQANCHMSA-N 2 2 355.486 0.886 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958192 489791575 /nfs/dbraw/zinc/79/15/75/489791575.db2.gz HAVSEIVYGLMMRP-QZTJIDSGSA-N 2 2 360.506 0.600 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958192 489791578 /nfs/dbraw/zinc/79/15/78/489791578.db2.gz HAVSEIVYGLMMRP-QZTJIDSGSA-N 2 2 360.506 0.600 20 30 FCEDLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420116307 489918278 /nfs/dbraw/zinc/91/82/78/489918278.db2.gz GCPRTGDDYDMZQY-SFHVURJKSA-N 2 2 371.485 0.836 20 30 FCEDLP C=CC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448919757 490388242 /nfs/dbraw/zinc/38/82/42/490388242.db2.gz CJOPFEZUJSKDEY-UHFFFAOYSA-N 2 2 350.507 0.895 20 30 FCEDLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423011501 490517098 /nfs/dbraw/zinc/51/70/98/490517098.db2.gz IXVOXYMPSAJTNN-GOSISDBHSA-N 2 2 369.469 0.270 20 30 FCEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000564985475 491343519 /nfs/dbraw/zinc/34/35/19/491343519.db2.gz HPOZMXBRBUJSQR-UHFFFAOYSA-N 2 2 367.457 0.587 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000580941865 491752434 /nfs/dbraw/zinc/75/24/34/491752434.db2.gz FLMRPZMBRQSVTO-IRXDYDNUSA-N 2 2 370.457 0.338 20 30 FCEDLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000580941865 491752435 /nfs/dbraw/zinc/75/24/35/491752435.db2.gz FLMRPZMBRQSVTO-IRXDYDNUSA-N 2 2 370.457 0.338 20 30 FCEDLP N#CCCN1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000601851737 491951834 /nfs/dbraw/zinc/95/18/34/491951834.db2.gz QOGZRRNILMJZKL-IBGZPJMESA-N 2 2 366.469 0.859 20 30 FCEDLP CC#CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952624 493153449 /nfs/dbraw/zinc/15/34/49/493153449.db2.gz DFGXRULHDYTUMW-UHFFFAOYSA-N 2 2 366.469 0.735 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553833 526598771 /nfs/dbraw/zinc/59/87/71/526598771.db2.gz IZPUNGDNPNROFN-UZLBHIALSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553833 526598780 /nfs/dbraw/zinc/59/87/80/526598780.db2.gz IZPUNGDNPNROFN-UZLBHIALSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249553833 526598786 /nfs/dbraw/zinc/59/87/86/526598786.db2.gz IZPUNGDNPNROFN-UZLBHIALSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249553833 526598792 /nfs/dbraw/zinc/59/87/92/526598792.db2.gz IZPUNGDNPNROFN-UZLBHIALSA-N 2 2 374.485 0.956 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262356334 527386405 /nfs/dbraw/zinc/38/64/05/527386405.db2.gz GAANZPQCRXPWFY-SOUVJXGZSA-N 2 2 356.536 0.990 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262356334 527386411 /nfs/dbraw/zinc/38/64/11/527386411.db2.gz GAANZPQCRXPWFY-SOUVJXGZSA-N 2 2 356.536 0.990 20 30 FCEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198288 663247371 /nfs/dbraw/zinc/24/73/71/663247371.db2.gz JESCBPDWQPYNNG-NXHRZFHOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970200210 663247507 /nfs/dbraw/zinc/24/75/07/663247507.db2.gz ZXEDEETYOCQLMZ-JQHSSLGASA-N 2 2 351.491 0.879 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000923775427 663933461 /nfs/dbraw/zinc/93/34/61/663933461.db2.gz OREONECVALNAJI-ROUUACIJSA-N 2 2 350.507 0.961 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000923775427 663933465 /nfs/dbraw/zinc/93/34/65/663933465.db2.gz OREONECVALNAJI-ROUUACIJSA-N 2 2 350.507 0.961 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000751444626 667466548 /nfs/dbraw/zinc/46/65/48/667466548.db2.gz HBQOEBMQZWMYOO-QGZVFWFLSA-N 2 2 369.531 0.299 20 30 FCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035371200 667776571 /nfs/dbraw/zinc/77/65/71/667776571.db2.gz XQWANQZHVUPTOV-KSZLIROESA-N 2 2 351.491 0.736 20 30 FCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035371200 667776573 /nfs/dbraw/zinc/77/65/73/667776573.db2.gz XQWANQZHVUPTOV-KSZLIROESA-N 2 2 351.491 0.736 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)CC1 ZINC000988508022 1192239787 /nfs/dbraw/zinc/23/97/87/1192239787.db2.gz ZBCATKZLXFIXSV-WBVHZDCISA-N 2 2 357.458 0.334 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503581 1170160121 /nfs/dbraw/zinc/16/01/21/1170160121.db2.gz YKCXXBZNXWWTKB-UWVAXJGDSA-N 2 2 371.485 0.629 20 30 FCEDLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104440680 1178868344 /nfs/dbraw/zinc/86/83/44/1178868344.db2.gz RSUFVYQMHIBAMP-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274572 1181755457 /nfs/dbraw/zinc/75/54/57/1181755457.db2.gz QJSYLTSWBJFTKE-HSALFYBXSA-N 2 2 353.466 0.901 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274572 1181755464 /nfs/dbraw/zinc/75/54/64/1181755464.db2.gz QJSYLTSWBJFTKE-HSALFYBXSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274572 1181755473 /nfs/dbraw/zinc/75/54/73/1181755473.db2.gz QJSYLTSWBJFTKE-HSALFYBXSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274572 1181755484 /nfs/dbraw/zinc/75/54/84/1181755484.db2.gz QJSYLTSWBJFTKE-HSALFYBXSA-N 2 2 353.466 0.901 20 30 FCEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104619495 1182287096 /nfs/dbraw/zinc/28/70/96/1182287096.db2.gz AHNPLUDDQUVRQT-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104619495 1182287100 /nfs/dbraw/zinc/28/71/00/1182287100.db2.gz AHNPLUDDQUVRQT-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1CC ZINC001087607133 1189657075 /nfs/dbraw/zinc/65/70/75/1189657075.db2.gz NAZWYCKPAJDOQQ-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)[C@@H]1CC ZINC001087607133 1189657077 /nfs/dbraw/zinc/65/70/77/1189657077.db2.gz NAZWYCKPAJDOQQ-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCCC2)[C@@H]1CC ZINC001087607133 1189657086 /nfs/dbraw/zinc/65/70/86/1189657086.db2.gz NAZWYCKPAJDOQQ-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCCC2)[C@@H]1CC ZINC001087607133 1189657091 /nfs/dbraw/zinc/65/70/91/1189657091.db2.gz NAZWYCKPAJDOQQ-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218118548 1224141107 /nfs/dbraw/zinc/14/11/07/1224141107.db2.gz ZJZVMXBFHZFSOG-BHYGNILZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218118548 1224141109 /nfs/dbraw/zinc/14/11/09/1224141109.db2.gz ZJZVMXBFHZFSOG-BHYGNILZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218118548 1224141113 /nfs/dbraw/zinc/14/11/13/1224141113.db2.gz ZJZVMXBFHZFSOG-BHYGNILZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218118548 1224141115 /nfs/dbraw/zinc/14/11/15/1224141115.db2.gz ZJZVMXBFHZFSOG-BHYGNILZSA-N 2 2 364.490 0.073 20 30 FCEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105666428 1193891183 /nfs/dbraw/zinc/89/11/83/1193891183.db2.gz FNDXLOCMPMOPLC-JYBIWHBTSA-N 2 2 358.486 0.952 20 30 FCEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666646 1193897279 /nfs/dbraw/zinc/89/72/79/1193897279.db2.gz HOPSZYKXEJIKSN-LFGUQSLTSA-N 2 2 358.486 0.952 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)cc1 ZINC001083523672 1194146537 /nfs/dbraw/zinc/14/65/37/1194146537.db2.gz NMEBUJQQUOFCAM-SQNIBIBYSA-N 2 2 365.437 0.994 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)cc1 ZINC001083523672 1194146540 /nfs/dbraw/zinc/14/65/40/1194146540.db2.gz NMEBUJQQUOFCAM-SQNIBIBYSA-N 2 2 365.437 0.994 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001077023608 1195160554 /nfs/dbraw/zinc/16/05/54/1195160554.db2.gz KABFPAPJYNUSEB-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001077023608 1195160559 /nfs/dbraw/zinc/16/05/59/1195160559.db2.gz KABFPAPJYNUSEB-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001077023608 1195160567 /nfs/dbraw/zinc/16/05/67/1195160567.db2.gz KABFPAPJYNUSEB-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001077023608 1195160572 /nfs/dbraw/zinc/16/05/72/1195160572.db2.gz KABFPAPJYNUSEB-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003054 1224285261 /nfs/dbraw/zinc/28/52/61/1224285261.db2.gz QWFKQPVBJHARBM-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003054 1224285266 /nfs/dbraw/zinc/28/52/66/1224285266.db2.gz QWFKQPVBJHARBM-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccccn1 ZINC000170913449 1196815390 /nfs/dbraw/zinc/81/53/90/1196815390.db2.gz BDCSFWMPPWTCSP-UHFFFAOYSA-N 2 2 353.430 0.942 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318805 1197863988 /nfs/dbraw/zinc/86/39/88/1197863988.db2.gz NOGXEHZZIAVYEQ-IJEWVQPXSA-N 2 2 367.453 0.999 20 30 FCEDLP CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071316 1199044417 /nfs/dbraw/zinc/04/44/17/1199044417.db2.gz JWKWHOBFUUMKRQ-MFSHBQKOSA-N 2 2 360.418 0.922 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396588 1200242980 /nfs/dbraw/zinc/24/29/80/1200242980.db2.gz HBYAGUNOOKBAHE-MHORFTMASA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396588 1200242982 /nfs/dbraw/zinc/24/29/82/1200242982.db2.gz HBYAGUNOOKBAHE-MHORFTMASA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396588 1200242990 /nfs/dbraw/zinc/24/29/90/1200242990.db2.gz HBYAGUNOOKBAHE-MHORFTMASA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396588 1200242998 /nfs/dbraw/zinc/24/29/98/1200242998.db2.gz HBYAGUNOOKBAHE-MHORFTMASA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519928 1200358008 /nfs/dbraw/zinc/35/80/08/1200358008.db2.gz AHQRRMROBMIZEJ-DHXZDTOLSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519928 1200358019 /nfs/dbraw/zinc/35/80/19/1200358019.db2.gz AHQRRMROBMIZEJ-DHXZDTOLSA-N 2 2 365.437 0.807 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849373 1200562535 /nfs/dbraw/zinc/56/25/35/1200562535.db2.gz PBJXDOCNLFHDKL-NCOADZHNSA-N 2 2 364.490 0.121 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849373 1200562546 /nfs/dbraw/zinc/56/25/46/1200562546.db2.gz PBJXDOCNLFHDKL-NCOADZHNSA-N 2 2 364.490 0.121 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961180 1200638608 /nfs/dbraw/zinc/63/86/08/1200638608.db2.gz QPTIFCABDSPFFM-QYZOEREBSA-N 2 2 372.513 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961180 1200638610 /nfs/dbraw/zinc/63/86/10/1200638610.db2.gz QPTIFCABDSPFFM-QYZOEREBSA-N 2 2 372.513 0.579 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552226 1200779648 /nfs/dbraw/zinc/77/96/48/1200779648.db2.gz NJVQWKFLUKHJTH-DOXZYTNZSA-N 2 2 357.458 0.308 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803270 1201397160 /nfs/dbraw/zinc/39/71/60/1201397160.db2.gz CVYZHCUHAYCDED-CABCVRRESA-N 2 2 359.434 0.178 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918835 1201440889 /nfs/dbraw/zinc/44/08/89/1201440889.db2.gz KVEGMENWJYKZME-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001129918586 1201440909 /nfs/dbraw/zinc/44/09/09/1201440909.db2.gz FSVPCDBAWPBSMU-CVEARBPZSA-N 2 2 357.418 0.006 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130223468 1201552986 /nfs/dbraw/zinc/55/29/86/1201552986.db2.gz VQWWRPVAKFFYDY-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130223468 1201552989 /nfs/dbraw/zinc/55/29/89/1201552989.db2.gz VQWWRPVAKFFYDY-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223468 1201552991 /nfs/dbraw/zinc/55/29/91/1201552991.db2.gz VQWWRPVAKFFYDY-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223468 1201552994 /nfs/dbraw/zinc/55/29/94/1201552994.db2.gz VQWWRPVAKFFYDY-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130244941 1201565342 /nfs/dbraw/zinc/56/53/42/1201565342.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130244941 1201565346 /nfs/dbraw/zinc/56/53/46/1201565346.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001130249100 1201569375 /nfs/dbraw/zinc/56/93/75/1201569375.db2.gz JSZNOWQWUWPCLG-KBPBESRZSA-N 2 2 359.434 0.274 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001130249100 1201569379 /nfs/dbraw/zinc/56/93/79/1201569379.db2.gz JSZNOWQWUWPCLG-KBPBESRZSA-N 2 2 359.434 0.274 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251376 1201570599 /nfs/dbraw/zinc/57/05/99/1201570599.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 2 2 364.494 0.799 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251376 1201570604 /nfs/dbraw/zinc/57/06/04/1201570604.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 2 2 364.494 0.799 20 30 FCEDLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)C[NH2+]1 ZINC001219967845 1224705759 /nfs/dbraw/zinc/70/57/59/1224705759.db2.gz LPBDHFUKZPBENV-VZEFYGNVSA-N 2 2 356.426 0.099 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cc[nH+]c3)n2)O1 ZINC001130794110 1202794953 /nfs/dbraw/zinc/79/49/53/1202794953.db2.gz MRSJFWAQFMVWPO-UONOGXRCSA-N 2 2 359.434 0.703 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3([NH+](C)C)CCC3)n[nH]2)O1 ZINC001130787324 1202797252 /nfs/dbraw/zinc/79/72/52/1202797252.db2.gz LKCHXBIFCUIXNO-UONOGXRCSA-N 2 2 362.478 0.901 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130790269 1202798403 /nfs/dbraw/zinc/79/84/03/1202798403.db2.gz PXWMEMPZQLIQTM-RRFJBIMHSA-N 2 2 362.478 0.594 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001086720564 1203019611 /nfs/dbraw/zinc/01/96/11/1203019611.db2.gz CENNGDVWDNAADF-JZXOWHBKSA-N 2 2 358.490 0.770 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001086720564 1203019613 /nfs/dbraw/zinc/01/96/13/1203019613.db2.gz CENNGDVWDNAADF-JZXOWHBKSA-N 2 2 358.490 0.770 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccc(C#N)cn3)CC2)C1=O ZINC001144158515 1204428199 /nfs/dbraw/zinc/42/81/99/1204428199.db2.gz JOKAWTIMZKNSCK-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(C#N)cn3)CC2)C1=O ZINC001144158515 1204428204 /nfs/dbraw/zinc/42/82/04/1204428204.db2.gz JOKAWTIMZKNSCK-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3CC)C[C@@]2(C)C1 ZINC001091748445 1204841495 /nfs/dbraw/zinc/84/14/95/1204841495.db2.gz LOVVAVUHUSXLCB-KPFFTGBYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3CC)C[C@@]2(C)C1 ZINC001091748445 1204841496 /nfs/dbraw/zinc/84/14/96/1204841496.db2.gz LOVVAVUHUSXLCB-KPFFTGBYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3CC)C[C@@]2(C)C1 ZINC001091748445 1204841497 /nfs/dbraw/zinc/84/14/97/1204841497.db2.gz LOVVAVUHUSXLCB-KPFFTGBYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3CC)C[C@@]2(C)C1 ZINC001091748445 1204841499 /nfs/dbraw/zinc/84/14/99/1204841499.db2.gz LOVVAVUHUSXLCB-KPFFTGBYSA-N 2 2 370.501 0.676 20 30 FCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375292 1205277412 /nfs/dbraw/zinc/27/74/12/1205277412.db2.gz JZTNKTSAZOUPQY-BZUAXINKSA-N 2 2 359.474 0.750 20 30 FCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375292 1205277416 /nfs/dbraw/zinc/27/74/16/1205277416.db2.gz JZTNKTSAZOUPQY-BZUAXINKSA-N 2 2 359.474 0.750 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1C ZINC001092689329 1205347895 /nfs/dbraw/zinc/34/78/95/1205347895.db2.gz IULTWQOGPMMXPE-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1C ZINC001092689329 1205347900 /nfs/dbraw/zinc/34/79/00/1205347900.db2.gz IULTWQOGPMMXPE-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cn(CC)nn2)C[C@H]1C ZINC001092689329 1205347903 /nfs/dbraw/zinc/34/79/03/1205347903.db2.gz IULTWQOGPMMXPE-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cn(CC)nn2)C[C@H]1C ZINC001092689329 1205347906 /nfs/dbraw/zinc/34/79/06/1205347906.db2.gz IULTWQOGPMMXPE-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093292580 1206074705 /nfs/dbraw/zinc/07/47/05/1206074705.db2.gz XBISKZAEGTWLBH-ZACQAIPSSA-N 2 2 359.474 0.744 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189986 1207431418 /nfs/dbraw/zinc/43/14/18/1207431418.db2.gz RQHLSPLUWFJQPM-YESZJQIVSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189986 1207431423 /nfs/dbraw/zinc/43/14/23/1207431423.db2.gz RQHLSPLUWFJQPM-YESZJQIVSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189986 1207431426 /nfs/dbraw/zinc/43/14/26/1207431426.db2.gz RQHLSPLUWFJQPM-YESZJQIVSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189986 1207431428 /nfs/dbraw/zinc/43/14/28/1207431428.db2.gz RQHLSPLUWFJQPM-YESZJQIVSA-N 2 2 361.490 0.137 20 30 FCEDLP C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001189310579 1207531202 /nfs/dbraw/zinc/53/12/02/1207531202.db2.gz FYVZKFOMUYQXTA-IXDOHACOSA-N 2 2 361.490 0.423 20 30 FCEDLP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001189310579 1207531205 /nfs/dbraw/zinc/53/12/05/1207531205.db2.gz FYVZKFOMUYQXTA-IXDOHACOSA-N 2 2 361.490 0.423 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193447617 1207873157 /nfs/dbraw/zinc/87/31/57/1207873157.db2.gz SRLXCDJSLDVZAX-RCCFBDPRSA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193447617 1207873160 /nfs/dbraw/zinc/87/31/60/1207873160.db2.gz SRLXCDJSLDVZAX-RCCFBDPRSA-N 2 2 362.449 0.899 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195138651 1208001446 /nfs/dbraw/zinc/00/14/46/1208001446.db2.gz BXPWAHTVSBLWMT-QZTJIDSGSA-N 2 2 369.425 0.537 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195138651 1208001449 /nfs/dbraw/zinc/00/14/49/1208001449.db2.gz BXPWAHTVSBLWMT-QZTJIDSGSA-N 2 2 369.425 0.537 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC1 ZINC001195661084 1208033724 /nfs/dbraw/zinc/03/37/24/1208033724.db2.gz GOLJPKQSRQYJSR-IAGOWNOFSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC1 ZINC001195661084 1208033727 /nfs/dbraw/zinc/03/37/27/1208033727.db2.gz GOLJPKQSRQYJSR-IAGOWNOFSA-N 2 2 360.433 0.700 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738338 1225047322 /nfs/dbraw/zinc/04/73/22/1225047322.db2.gz XTVQTPXYMWEQMJ-WSTZPKSXSA-N 2 2 359.470 0.275 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738338 1225047329 /nfs/dbraw/zinc/04/73/29/1225047329.db2.gz XTVQTPXYMWEQMJ-WSTZPKSXSA-N 2 2 359.470 0.275 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206624 1208147232 /nfs/dbraw/zinc/14/72/32/1208147232.db2.gz UZLOGASEVIVCPU-IAGOWNOFSA-N 2 2 357.414 0.245 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206624 1208147237 /nfs/dbraw/zinc/14/72/37/1208147237.db2.gz UZLOGASEVIVCPU-IAGOWNOFSA-N 2 2 357.414 0.245 20 30 FCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110662390 1209587086 /nfs/dbraw/zinc/58/70/86/1209587086.db2.gz NNPHIXQEAJMMEX-BDXSIMOUSA-N 2 2 361.490 0.737 20 30 FCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110662390 1209587089 /nfs/dbraw/zinc/58/70/89/1209587089.db2.gz NNPHIXQEAJMMEX-BDXSIMOUSA-N 2 2 361.490 0.737 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754727 1209801046 /nfs/dbraw/zinc/80/10/46/1209801046.db2.gz ZWBQHVAGHYKRJO-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754727 1209801047 /nfs/dbraw/zinc/80/10/47/1209801047.db2.gz ZWBQHVAGHYKRJO-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754727 1209801052 /nfs/dbraw/zinc/80/10/52/1209801052.db2.gz ZWBQHVAGHYKRJO-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754727 1209801053 /nfs/dbraw/zinc/80/10/53/1209801053.db2.gz ZWBQHVAGHYKRJO-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)C1 ZINC000884055707 1210712456 /nfs/dbraw/zinc/71/24/56/1210712456.db2.gz WXCOVZBWMZFKEF-QGZVFWFLSA-N 2 2 363.506 0.374 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)C1 ZINC000884055707 1210712460 /nfs/dbraw/zinc/71/24/60/1210712460.db2.gz WXCOVZBWMZFKEF-QGZVFWFLSA-N 2 2 363.506 0.374 20 30 FCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000884211841 1210724422 /nfs/dbraw/zinc/72/44/22/1210724422.db2.gz PGHPEZPPEXFXJK-CSLYMUCUSA-N 2 2 358.446 0.293 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001095556156 1211410085 /nfs/dbraw/zinc/41/00/85/1211410085.db2.gz AONYOIVRIGAAOW-XWSJACJDSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001095556156 1211410088 /nfs/dbraw/zinc/41/00/88/1211410088.db2.gz AONYOIVRIGAAOW-XWSJACJDSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1CCCC1=O ZINC001095556156 1211410091 /nfs/dbraw/zinc/41/00/91/1211410091.db2.gz AONYOIVRIGAAOW-XWSJACJDSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1CCCC1=O ZINC001095556156 1211410094 /nfs/dbraw/zinc/41/00/94/1211410094.db2.gz AONYOIVRIGAAOW-XWSJACJDSA-N 2 2 372.513 0.818 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144122 1211898784 /nfs/dbraw/zinc/89/87/84/1211898784.db2.gz PSCNBURYPATDRE-ZACQAIPSSA-N 2 2 359.474 0.995 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144122 1211898786 /nfs/dbraw/zinc/89/87/86/1211898786.db2.gz PSCNBURYPATDRE-ZACQAIPSSA-N 2 2 359.474 0.995 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615394 1225398287 /nfs/dbraw/zinc/39/82/87/1225398287.db2.gz GOGSZFLDVQSJOY-KZNAEPCWSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615394 1225398290 /nfs/dbraw/zinc/39/82/90/1225398290.db2.gz GOGSZFLDVQSJOY-KZNAEPCWSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615394 1225398296 /nfs/dbraw/zinc/39/82/96/1225398296.db2.gz GOGSZFLDVQSJOY-KZNAEPCWSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615394 1225398304 /nfs/dbraw/zinc/39/83/04/1225398304.db2.gz GOGSZFLDVQSJOY-KZNAEPCWSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664290 1225425744 /nfs/dbraw/zinc/42/57/44/1225425744.db2.gz NRMQMTZITYCBCH-KZNAEPCWSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664290 1225425747 /nfs/dbraw/zinc/42/57/47/1225425747.db2.gz NRMQMTZITYCBCH-KZNAEPCWSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664290 1225425749 /nfs/dbraw/zinc/42/57/49/1225425749.db2.gz NRMQMTZITYCBCH-KZNAEPCWSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664290 1225425750 /nfs/dbraw/zinc/42/57/50/1225425750.db2.gz NRMQMTZITYCBCH-KZNAEPCWSA-N 2 2 362.518 0.942 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710687 1225452140 /nfs/dbraw/zinc/45/21/40/1225452140.db2.gz DVJHMBLKCGMSDA-ZHALLVOQSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710687 1225452147 /nfs/dbraw/zinc/45/21/47/1225452147.db2.gz DVJHMBLKCGMSDA-ZHALLVOQSA-N 2 2 358.486 0.143 20 30 FCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC000960522716 1213802625 /nfs/dbraw/zinc/80/26/25/1213802625.db2.gz CWTWWXICHFLVOU-QSWMPLQWSA-N 2 2 371.456 0.943 20 30 FCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC000960522716 1213802626 /nfs/dbraw/zinc/80/26/26/1213802626.db2.gz CWTWWXICHFLVOU-QSWMPLQWSA-N 2 2 371.456 0.943 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC000960522716 1213802629 /nfs/dbraw/zinc/80/26/29/1213802629.db2.gz CWTWWXICHFLVOU-QSWMPLQWSA-N 2 2 371.456 0.943 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC000960522716 1213802633 /nfs/dbraw/zinc/80/26/33/1213802633.db2.gz CWTWWXICHFLVOU-QSWMPLQWSA-N 2 2 371.456 0.943 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951770 1225550055 /nfs/dbraw/zinc/55/00/55/1225550055.db2.gz CTCQGNOELRNCNY-RHSMWYFYSA-N 2 2 355.442 0.043 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951770 1225550060 /nfs/dbraw/zinc/55/00/60/1225550060.db2.gz CTCQGNOELRNCNY-RHSMWYFYSA-N 2 2 355.442 0.043 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951729 1225550253 /nfs/dbraw/zinc/55/02/53/1225550253.db2.gz BBSWYPSTPJLJRL-HDMKZQKVSA-N 2 2 369.469 0.432 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951729 1225550257 /nfs/dbraw/zinc/55/02/57/1225550257.db2.gz BBSWYPSTPJLJRL-HDMKZQKVSA-N 2 2 369.469 0.432 20 30 FCEDLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001221968391 1225556526 /nfs/dbraw/zinc/55/65/26/1225556526.db2.gz MLGDDMSRZRQRRI-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001221968391 1225556529 /nfs/dbraw/zinc/55/65/29/1225556529.db2.gz MLGDDMSRZRQRRI-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001221968391 1225556531 /nfs/dbraw/zinc/55/65/31/1225556531.db2.gz MLGDDMSRZRQRRI-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001221968391 1225556533 /nfs/dbraw/zinc/55/65/33/1225556533.db2.gz MLGDDMSRZRQRRI-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050101919 1216285456 /nfs/dbraw/zinc/28/54/56/1216285456.db2.gz BFSYLJRXZKDIQO-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050101919 1216285463 /nfs/dbraw/zinc/28/54/63/1216285463.db2.gz BFSYLJRXZKDIQO-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945516 1216858480 /nfs/dbraw/zinc/85/84/80/1216858480.db2.gz OEKAYGJMABWIIC-KURKYZTESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945516 1216858481 /nfs/dbraw/zinc/85/84/81/1216858481.db2.gz OEKAYGJMABWIIC-KURKYZTESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945516 1216858484 /nfs/dbraw/zinc/85/84/84/1216858484.db2.gz OEKAYGJMABWIIC-KURKYZTESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945516 1216858487 /nfs/dbraw/zinc/85/84/87/1216858487.db2.gz OEKAYGJMABWIIC-KURKYZTESA-N 2 2 358.490 0.621 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001069949206 1216861737 /nfs/dbraw/zinc/86/17/37/1216861737.db2.gz JHYMKPWEGZQQMT-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001069949206 1216861738 /nfs/dbraw/zinc/86/17/38/1216861738.db2.gz JHYMKPWEGZQQMT-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001069949206 1216861740 /nfs/dbraw/zinc/86/17/40/1216861740.db2.gz JHYMKPWEGZQQMT-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001069949206 1216861741 /nfs/dbraw/zinc/86/17/41/1216861741.db2.gz JHYMKPWEGZQQMT-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025764 1216904364 /nfs/dbraw/zinc/90/43/64/1216904364.db2.gz IGRKKECABDNFMY-JQHSSLGASA-N 2 2 367.457 0.410 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025764 1216904368 /nfs/dbraw/zinc/90/43/68/1216904368.db2.gz IGRKKECABDNFMY-JQHSSLGASA-N 2 2 367.457 0.410 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224298477 1225771099 /nfs/dbraw/zinc/77/10/99/1225771099.db2.gz UIASPESXVUFLGL-SJORKVTESA-N 2 2 359.474 0.888 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224298477 1225771103 /nfs/dbraw/zinc/77/11/03/1225771103.db2.gz UIASPESXVUFLGL-SJORKVTESA-N 2 2 359.474 0.888 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306853 1225772140 /nfs/dbraw/zinc/77/21/40/1225772140.db2.gz PRKCGPVBNMXTGY-SJORKVTESA-N 2 2 357.458 0.336 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306853 1225772143 /nfs/dbraw/zinc/77/21/43/1225772143.db2.gz PRKCGPVBNMXTGY-SJORKVTESA-N 2 2 357.458 0.336 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@@H+]1C ZINC001096308034 1218233430 /nfs/dbraw/zinc/23/34/30/1218233430.db2.gz VJSXQHXTASNWNR-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC001096308034 1218233433 /nfs/dbraw/zinc/23/34/33/1218233433.db2.gz VJSXQHXTASNWNR-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096349907 1218258618 /nfs/dbraw/zinc/25/86/18/1218258618.db2.gz MEKGPERCRYBCNZ-BSWAZPDLSA-N 2 2 357.458 0.471 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096349907 1218258628 /nfs/dbraw/zinc/25/86/28/1218258628.db2.gz MEKGPERCRYBCNZ-BSWAZPDLSA-N 2 2 357.458 0.471 20 30 FCEDLP 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C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000891607773 1245458105 /nfs/dbraw/zinc/45/81/05/1245458105.db2.gz VNCRETGXAMULAF-CQSZACIVSA-N 2 2 352.398 0.420 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000891607773 1245458108 /nfs/dbraw/zinc/45/81/08/1245458108.db2.gz VNCRETGXAMULAF-CQSZACIVSA-N 2 2 352.398 0.420 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891607945 1245458671 /nfs/dbraw/zinc/45/86/71/1245458671.db2.gz RKYJBPYLISYPON-KRWDZBQOSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891607945 1245458676 /nfs/dbraw/zinc/45/86/76/1245458676.db2.gz RKYJBPYLISYPON-KRWDZBQOSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1C ZINC000997769276 1251696061 /nfs/dbraw/zinc/69/60/61/1251696061.db2.gz JFWGELIJJQTYSV-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1C ZINC000997769276 1251696074 /nfs/dbraw/zinc/69/60/74/1251696074.db2.gz JFWGELIJJQTYSV-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001004519688 1253350267 /nfs/dbraw/zinc/35/02/67/1253350267.db2.gz KOPPLYHPZMWSFT-ZACQAIPSSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001004519688 1253350271 /nfs/dbraw/zinc/35/02/71/1253350271.db2.gz KOPPLYHPZMWSFT-ZACQAIPSSA-N 2 2 369.469 0.196 20 30 FCEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077685512 1254877867 /nfs/dbraw/zinc/87/78/67/1254877867.db2.gz VWUUSNJZHJXKBP-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077685512 1254877879 /nfs/dbraw/zinc/87/78/79/1254877879.db2.gz VWUUSNJZHJXKBP-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077685512 1254877887 /nfs/dbraw/zinc/87/78/87/1254877887.db2.gz VWUUSNJZHJXKBP-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077685512 1254877897 /nfs/dbraw/zinc/87/78/97/1254877897.db2.gz VWUUSNJZHJXKBP-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077888337 1255074962 /nfs/dbraw/zinc/07/49/62/1255074962.db2.gz DLQIBIAGHXBXDR-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077888337 1255074969 /nfs/dbraw/zinc/07/49/69/1255074969.db2.gz DLQIBIAGHXBXDR-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001078175356 1255287640 /nfs/dbraw/zinc/28/76/40/1255287640.db2.gz YJJOGJMZGQTHME-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001078175356 1255287648 /nfs/dbraw/zinc/28/76/48/1255287648.db2.gz YJJOGJMZGQTHME-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001078175356 1255287652 /nfs/dbraw/zinc/28/76/52/1255287652.db2.gz YJJOGJMZGQTHME-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001078175356 1255287657 /nfs/dbraw/zinc/28/76/57/1255287657.db2.gz YJJOGJMZGQTHME-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C#N ZINC001078183342 1255298706 /nfs/dbraw/zinc/29/87/06/1255298706.db2.gz MPYTZGMHQFYXNI-IAGOWNOFSA-N 2 2 369.425 0.433 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C#N ZINC001078183342 1255298713 /nfs/dbraw/zinc/29/87/13/1255298713.db2.gz MPYTZGMHQFYXNI-IAGOWNOFSA-N 2 2 369.425 0.433 20 30 FCEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231344 1255480012 /nfs/dbraw/zinc/48/00/12/1255480012.db2.gz GIQGFBCAEDWIPH-KSZLIROESA-N 2 2 361.486 0.280 20 30 FCEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231344 1255480017 /nfs/dbraw/zinc/48/00/17/1255480017.db2.gz GIQGFBCAEDWIPH-KSZLIROESA-N 2 2 361.486 0.280 20 30 FCEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270494 1255496022 /nfs/dbraw/zinc/49/60/22/1255496022.db2.gz VBSLZHUZUAXBHC-ZWKOTPCHSA-N 2 2 356.470 0.925 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2OC)CC1 ZINC001082384167 1256735263 /nfs/dbraw/zinc/73/52/63/1256735263.db2.gz GYPJQSFQXUZIGT-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2OC)CC1 ZINC001082384167 1256735265 /nfs/dbraw/zinc/73/52/65/1256735265.db2.gz GYPJQSFQXUZIGT-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083887652 1257659457 /nfs/dbraw/zinc/65/94/57/1257659457.db2.gz DLQIBIAGHXBXDR-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083887652 1257659462 /nfs/dbraw/zinc/65/94/62/1257659462.db2.gz DLQIBIAGHXBXDR-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001084417848 1258098158 /nfs/dbraw/zinc/09/81/58/1258098158.db2.gz IMSRWKOZILOSAF-FGTMMUONSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001084417848 1258098164 /nfs/dbraw/zinc/09/81/64/1258098164.db2.gz IMSRWKOZILOSAF-FGTMMUONSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084417848 1258098172 /nfs/dbraw/zinc/09/81/72/1258098172.db2.gz IMSRWKOZILOSAF-FGTMMUONSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084417848 1258098176 /nfs/dbraw/zinc/09/81/76/1258098176.db2.gz IMSRWKOZILOSAF-FGTMMUONSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937895 1259000241 /nfs/dbraw/zinc/00/02/41/1259000241.db2.gz HYFKGNXXSGOZQU-BZUAXINKSA-N 2 2 359.474 0.175 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079347 1259029770 /nfs/dbraw/zinc/02/97/70/1259029770.db2.gz YTYWSZRDDAJLPY-IAGOWNOFSA-N 2 2 361.490 0.992 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384469 1259070593 /nfs/dbraw/zinc/07/05/93/1259070593.db2.gz GIHGNLQEKFTQPJ-DNVCBOLYSA-N 2 2 357.458 0.453 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384469 1259070601 /nfs/dbraw/zinc/07/06/01/1259070601.db2.gz GIHGNLQEKFTQPJ-DNVCBOLYSA-N 2 2 357.458 0.453 20 30 FCEDLP C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001128012225 1259190235 /nfs/dbraw/zinc/19/02/35/1259190235.db2.gz LXSYKBBHRHXRSY-RBSFLKMASA-N 2 2 362.478 0.094 20 30 FCEDLP C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001128012225 1259190240 /nfs/dbraw/zinc/19/02/40/1259190240.db2.gz LXSYKBBHRHXRSY-RBSFLKMASA-N 2 2 362.478 0.094 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128418 1259323085 /nfs/dbraw/zinc/32/30/85/1259323085.db2.gz WKPPIPQCHJRKLP-MSOLQXFVSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128418 1259323097 /nfs/dbraw/zinc/32/30/97/1259323097.db2.gz WKPPIPQCHJRKLP-MSOLQXFVSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128418 1259323101 /nfs/dbraw/zinc/32/31/01/1259323101.db2.gz WKPPIPQCHJRKLP-MSOLQXFVSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128418 1259323108 /nfs/dbraw/zinc/32/31/08/1259323108.db2.gz WKPPIPQCHJRKLP-MSOLQXFVSA-N 2 2 358.490 0.907 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130249292 1259376518 /nfs/dbraw/zinc/37/65/18/1259376518.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130249292 1259376522 /nfs/dbraw/zinc/37/65/22/1259376522.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550181 1261737172 /nfs/dbraw/zinc/73/71/72/1261737172.db2.gz ZBXBTTDWPKUPDQ-PXNSSMCTSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550181 1261737178 /nfs/dbraw/zinc/73/71/78/1261737178.db2.gz ZBXBTTDWPKUPDQ-PXNSSMCTSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550181 1261737184 /nfs/dbraw/zinc/73/71/84/1261737184.db2.gz ZBXBTTDWPKUPDQ-PXNSSMCTSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550181 1261737189 /nfs/dbraw/zinc/73/71/89/1261737189.db2.gz ZBXBTTDWPKUPDQ-PXNSSMCTSA-N 2 2 367.497 0.981 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001505407039 1264271668 /nfs/dbraw/zinc/27/16/68/1264271668.db2.gz MMGJEQHQJSPSND-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324883301 1264726957 /nfs/dbraw/zinc/72/69/57/1264726957.db2.gz VPSVHQXNLSOXHZ-YJBOKZPZSA-N 2 2 365.453 0.077 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324883301 1264726967 /nfs/dbraw/zinc/72/69/67/1264726967.db2.gz VPSVHQXNLSOXHZ-YJBOKZPZSA-N 2 2 365.453 0.077 20 30 FCEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC001326155627 1265071500 /nfs/dbraw/zinc/07/15/00/1265071500.db2.gz FSWHBZNIKNQCFF-LJQANCHMSA-N 2 2 371.485 0.883 20 30 FCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3cnccn3)CC1)C2 ZINC001333184407 1266550215 /nfs/dbraw/zinc/55/02/15/1266550215.db2.gz WVMRTTYNRDXWPI-WUJZJPHMSA-N 2 2 354.458 0.303 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001574707783 1271498755 /nfs/dbraw/zinc/49/87/55/1271498755.db2.gz ZRGFFVCRKAOKFH-ROUUACIJSA-N 2 2 372.517 0.927 20 30 FCEDLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001575160006 1271755566 /nfs/dbraw/zinc/75/55/66/1271755566.db2.gz BWTCBEZRLQGXLR-TZMCWYRMSA-N 2 2 351.451 0.203 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691922526 1289343037 /nfs/dbraw/zinc/34/30/37/1289343037.db2.gz YHEDNDLTOIQGMQ-GBJTYRQASA-N 2 2 358.446 0.038 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001689032314 1294579087 /nfs/dbraw/zinc/57/90/87/1294579087.db2.gz WDRDTRAHRZARAA-RYQLBKOJSA-N 2 2 366.469 0.787 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175395 839380856 /nfs/dbraw/zinc/38/08/56/839380856.db2.gz YOPSVFKVRABGMZ-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175395 839380872 /nfs/dbraw/zinc/38/08/72/839380872.db2.gz YOPSVFKVRABGMZ-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175395 839380884 /nfs/dbraw/zinc/38/08/84/839380884.db2.gz YOPSVFKVRABGMZ-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078175395 839380899 /nfs/dbraw/zinc/38/08/99/839380899.db2.gz YOPSVFKVRABGMZ-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](F)CC)C[C@@H]32)CC1 ZINC001083283723 840866406 /nfs/dbraw/zinc/86/64/06/840866406.db2.gz PRSZEKZPKZHFLH-FGTMMUONSA-N 2 2 351.466 0.991 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](F)CC)C[C@@H]32)CC1 ZINC001083283723 840866410 /nfs/dbraw/zinc/86/64/10/840866410.db2.gz PRSZEKZPKZHFLH-FGTMMUONSA-N 2 2 351.466 0.991 20 30 FCEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737415 842113310 /nfs/dbraw/zinc/11/33/10/842113310.db2.gz MUVMHDBLDQYUDW-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737415 842113323 /nfs/dbraw/zinc/11/33/23/842113323.db2.gz MUVMHDBLDQYUDW-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737416 842113417 /nfs/dbraw/zinc/11/34/17/842113417.db2.gz MUVMHDBLDQYUDW-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737416 842113420 /nfs/dbraw/zinc/11/34/20/842113420.db2.gz MUVMHDBLDQYUDW-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086156596 842123971 /nfs/dbraw/zinc/12/39/71/842123971.db2.gz IQXKIOGERSMMEZ-XDNAFOTISA-N 2 2 351.491 0.927 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090405 846369762 /nfs/dbraw/zinc/36/97/62/846369762.db2.gz HOECJXPVVGBNER-CHWSQXEVSA-N 2 2 358.364 0.971 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112206111 846462292 /nfs/dbraw/zinc/46/22/92/846462292.db2.gz HXNBXCWFEOLCCI-ZIAGYGMSSA-N 2 2 358.364 0.820 20 30 FCEDLP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCC#N)CC2 ZINC001276949593 861699658 /nfs/dbraw/zinc/69/96/58/861699658.db2.gz UQMKJJUVZUFTSW-HNNXBMFYSA-N 2 2 350.463 0.565 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318779 849097279 /nfs/dbraw/zinc/09/72/79/849097279.db2.gz PWJLOSSZOXALQD-OAGGEKHMSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318779 849097290 /nfs/dbraw/zinc/09/72/90/849097290.db2.gz PWJLOSSZOXALQD-OAGGEKHMSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318779 849097296 /nfs/dbraw/zinc/09/72/96/849097296.db2.gz PWJLOSSZOXALQD-OAGGEKHMSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318779 849097305 /nfs/dbraw/zinc/09/73/05/849097305.db2.gz PWJLOSSZOXALQD-OAGGEKHMSA-N 2 2 350.463 0.619 20 30 FCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001160335085 850167115 /nfs/dbraw/zinc/16/71/15/850167115.db2.gz JECITHHLBHNCED-KYJSFNMBSA-N 2 2 362.499 0.851 20 30 FCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001160335085 850167120 /nfs/dbraw/zinc/16/71/20/850167120.db2.gz JECITHHLBHNCED-KYJSFNMBSA-N 2 2 362.499 0.851 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923053 855879489 /nfs/dbraw/zinc/87/94/89/855879489.db2.gz UTPQOMQBGOWHEI-SJORKVTESA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923053 855879493 /nfs/dbraw/zinc/87/94/93/855879493.db2.gz UTPQOMQBGOWHEI-SJORKVTESA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923053 855879495 /nfs/dbraw/zinc/87/94/95/855879495.db2.gz UTPQOMQBGOWHEI-SJORKVTESA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923053 855879497 /nfs/dbraw/zinc/87/94/97/855879497.db2.gz UTPQOMQBGOWHEI-SJORKVTESA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072254 855946947 /nfs/dbraw/zinc/94/69/47/855946947.db2.gz MSSYDMTVISCYEY-SJORKVTESA-N 2 2 351.491 0.310 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072254 855946951 /nfs/dbraw/zinc/94/69/51/855946951.db2.gz MSSYDMTVISCYEY-SJORKVTESA-N 2 2 351.491 0.310 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835088 857755753 /nfs/dbraw/zinc/75/57/53/857755753.db2.gz FLBNFZZXFYGPOY-SJLPKXTDSA-N 2 2 352.475 0.737 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835088 857755755 /nfs/dbraw/zinc/75/57/55/857755755.db2.gz FLBNFZZXFYGPOY-SJLPKXTDSA-N 2 2 352.475 0.737 20 30 FCEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCS(=O)(=O)C3)cc2F)CC1 ZINC001317902029 867574478 /nfs/dbraw/zinc/57/44/78/867574478.db2.gz ZKTQNDGFNUSVJY-CQSZACIVSA-N 2 2 354.451 0.688 20 30 FCEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000424143975 247171894 /nfs/dbraw/zinc/17/18/94/247171894.db2.gz KLRLFUHBJDKYQW-QGZVFWFLSA-N 2 2 363.506 0.848 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104067654 208181339 /nfs/dbraw/zinc/18/13/39/208181339.db2.gz DZSPHKUNEXBGOY-PKOBYXMFSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104067654 208181344 /nfs/dbraw/zinc/18/13/44/208181344.db2.gz DZSPHKUNEXBGOY-PKOBYXMFSA-N 2 2 372.469 0.712 20 30 FCEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(c2ncccn2)CC1 ZINC000262020099 229296884 /nfs/dbraw/zinc/29/68/84/229296884.db2.gz XLKJTKLYQGENSX-UHFFFAOYSA-N 2 2 354.462 0.689 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[S@](=O)Cc1ccccc1 ZINC000267445359 229379681 /nfs/dbraw/zinc/37/96/81/229379681.db2.gz PYECIPZHFDWRSG-DEOSSOPVSA-N 2 2 352.504 0.562 20 30 FCEDLP CC(C)[NH+]1CCC(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000081157966 488439985 /nfs/dbraw/zinc/43/99/85/488439985.db2.gz GLQYLXBBORWGTQ-UHFFFAOYSA-N 2 2 365.522 0.523 20 30 FCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000272963098 488621003 /nfs/dbraw/zinc/62/10/03/488621003.db2.gz PJCFTWKGPZFDDN-UHFFFAOYSA-N 2 2 364.446 0.843 20 30 FCEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329225881 488982914 /nfs/dbraw/zinc/98/29/14/488982914.db2.gz GXDWOZQLYSLIEV-IXDOHACOSA-N 2 2 353.511 0.331 20 30 FCEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000330235702 489082557 /nfs/dbraw/zinc/08/25/57/489082557.db2.gz UCDMDIVBXVJCEK-BRWVUGGUSA-N 2 2 353.511 0.189 20 30 FCEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000330235702 489082559 /nfs/dbraw/zinc/08/25/59/489082559.db2.gz UCDMDIVBXVJCEK-BRWVUGGUSA-N 2 2 353.511 0.189 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291056205 489171807 /nfs/dbraw/zinc/17/18/07/489171807.db2.gz BEHSOWAPPOGGCY-UHFFFAOYSA-N 2 2 373.457 0.168 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291056205 489171811 /nfs/dbraw/zinc/17/18/11/489171811.db2.gz BEHSOWAPPOGGCY-UHFFFAOYSA-N 2 2 373.457 0.168 20 30 FCEDLP CCCNC(=O)NC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331282552 489193600 /nfs/dbraw/zinc/19/36/00/489193600.db2.gz GGGLTSYRDBKFGF-UHFFFAOYSA-N 2 2 353.511 0.917 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286335933 489380967 /nfs/dbraw/zinc/38/09/67/489380967.db2.gz ARVGVRAXHFDPEF-INIZCTEOSA-N 2 2 357.458 0.543 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555667277 491264033 /nfs/dbraw/zinc/26/40/33/491264033.db2.gz VDTHLHBAEOJNOK-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP C[C@@H]1OCC[C@]12C[NH+](CC#CC[N@@H+]1CCO[C@@]3(CCO[C@H]3C)C1)CCO2 ZINC000375359064 489714386 /nfs/dbraw/zinc/71/43/86/489714386.db2.gz ASXSTGUKEYMRCP-MUGJNUQGSA-N 2 2 364.486 0.749 20 30 FCEDLP C[C@@H]1OCC[C@]12C[NH+](CC#CC[N@H+]1CCO[C@@]3(CCO[C@H]3C)C1)CCO2 ZINC000375359064 489714390 /nfs/dbraw/zinc/71/43/90/489714390.db2.gz ASXSTGUKEYMRCP-MUGJNUQGSA-N 2 2 364.486 0.749 20 30 FCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000484900439 490476752 /nfs/dbraw/zinc/47/67/52/490476752.db2.gz VMNQKMZVKYKCOZ-KSZLIROESA-N 2 2 354.495 0.004 20 30 FCEDLP C[C@@H]1C[N@H+](C[C@@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000484900439 490476756 /nfs/dbraw/zinc/47/67/56/490476756.db2.gz VMNQKMZVKYKCOZ-KSZLIROESA-N 2 2 354.495 0.004 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423012738 490518891 /nfs/dbraw/zinc/51/88/91/490518891.db2.gz LFVQNXQDGCGNIB-KRWDZBQOSA-N 2 2 355.442 0.010 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000528424923 490797199 /nfs/dbraw/zinc/79/71/99/490797199.db2.gz ZBCGHUMOOYFMIL-QZTJIDSGSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000528424923 490797201 /nfs/dbraw/zinc/79/72/01/490797201.db2.gz ZBCGHUMOOYFMIL-QZTJIDSGSA-N 2 2 372.469 0.712 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000557766299 491396981 /nfs/dbraw/zinc/39/69/81/491396981.db2.gz DHLLKQKWTLZYRN-HNNXBMFYSA-N 2 2 359.474 0.893 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000580941866 491752511 /nfs/dbraw/zinc/75/25/11/491752511.db2.gz FLMRPZMBRQSVTO-SJORKVTESA-N 2 2 370.457 0.338 20 30 FCEDLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000580941866 491752512 /nfs/dbraw/zinc/75/25/12/491752512.db2.gz FLMRPZMBRQSVTO-SJORKVTESA-N 2 2 370.457 0.338 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3sccc3C#N)C2)CC1 ZINC000590247042 491771586 /nfs/dbraw/zinc/77/15/86/491771586.db2.gz YUAMWKYVQLYORO-CYBMUJFWSA-N 2 2 361.471 0.843 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3sccc3C#N)C2)CC1 ZINC000590247042 491771588 /nfs/dbraw/zinc/77/15/88/491771588.db2.gz YUAMWKYVQLYORO-CYBMUJFWSA-N 2 2 361.471 0.843 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591418457 491805374 /nfs/dbraw/zinc/80/53/74/491805374.db2.gz DCOSHTVXQQDANA-SFHVURJKSA-N 2 2 369.469 0.461 20 30 FCEDLP CN(c1ccc(C#N)nn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000611571918 492290489 /nfs/dbraw/zinc/29/04/89/492290489.db2.gz WUVCUKXAYMCYJT-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP C[NH+]=C(NCc1c(C)noc1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261977940 526379624 /nfs/dbraw/zinc/37/96/24/526379624.db2.gz OEJMTLASQYRJOE-UHFFFAOYSA-N 2 2 350.467 0.463 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262806249 526388424 /nfs/dbraw/zinc/38/84/24/526388424.db2.gz SIPYDGKAKFCLHS-CQSZACIVSA-N 2 2 371.493 0.610 20 30 FCEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCO[C@@H](COC)C1 ZINC000261936918 526414108 /nfs/dbraw/zinc/41/41/08/526414108.db2.gz MCRRONYPBYFJJC-MRXNPFEDSA-N 2 2 358.446 0.998 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301125 526585968 /nfs/dbraw/zinc/58/59/68/526585968.db2.gz CBVKKGUSSJAAJJ-LJQANCHMSA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301125 526585974 /nfs/dbraw/zinc/58/59/74/526585974.db2.gz CBVKKGUSSJAAJJ-LJQANCHMSA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301125 526585980 /nfs/dbraw/zinc/58/59/80/526585980.db2.gz CBVKKGUSSJAAJJ-LJQANCHMSA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301125 526585984 /nfs/dbraw/zinc/58/59/84/526585984.db2.gz CBVKKGUSSJAAJJ-LJQANCHMSA-N 2 2 360.458 0.567 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261626254 528810823 /nfs/dbraw/zinc/81/08/23/528810823.db2.gz BWGKDLIZNHXTPP-HOTGVXAUSA-N 2 2 372.535 0.041 20 30 FCEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114006422 528814865 /nfs/dbraw/zinc/81/48/65/528814865.db2.gz WIHSJOOAEAUZCD-HNNXBMFYSA-N 2 2 363.462 0.334 20 30 FCEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114006422 528814867 /nfs/dbraw/zinc/81/48/67/528814867.db2.gz WIHSJOOAEAUZCD-HNNXBMFYSA-N 2 2 363.462 0.334 20 30 FCEDLP CC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329566648 546557979 /nfs/dbraw/zinc/55/79/79/546557979.db2.gz OWGMJDHDGGAMBX-UHFFFAOYSA-N 2 2 350.467 1.026 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329974925 546576138 /nfs/dbraw/zinc/57/61/38/546576138.db2.gz XTWMVBGNOUUPIH-IKGGRYGDSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329974925 546576143 /nfs/dbraw/zinc/57/61/43/546576143.db2.gz XTWMVBGNOUUPIH-IKGGRYGDSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329974925 546576148 /nfs/dbraw/zinc/57/61/48/546576148.db2.gz XTWMVBGNOUUPIH-IKGGRYGDSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329974925 546576152 /nfs/dbraw/zinc/57/61/52/546576152.db2.gz XTWMVBGNOUUPIH-IKGGRYGDSA-N 2 2 354.495 0.315 20 30 FCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198287 663247305 /nfs/dbraw/zinc/24/73/05/663247305.db2.gz JESCBPDWQPYNNG-JQHSSLGASA-N 2 2 351.491 0.879 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879133 664289792 /nfs/dbraw/zinc/28/97/92/664289792.db2.gz NIJCJHSRAKJGIO-IXDOHACOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879133 664289794 /nfs/dbraw/zinc/28/97/94/664289794.db2.gz NIJCJHSRAKJGIO-IXDOHACOSA-N 2 2 351.491 0.879 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C)CC1 ZINC000988506727 1192237981 /nfs/dbraw/zinc/23/79/81/1192237981.db2.gz NVPUABAVWPLHJE-WBVHZDCISA-N 2 2 371.485 0.711 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)CC1 ZINC000988507518 1192238904 /nfs/dbraw/zinc/23/89/04/1192238904.db2.gz VGNQWVGUTLZKAT-PBHICJAKSA-N 2 2 357.458 0.403 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167270848 1168482559 /nfs/dbraw/zinc/48/25/59/1168482559.db2.gz BGEXAAGYSKWEAY-ARFHVFGLSA-N 2 2 371.485 0.538 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891607667 1170710836 /nfs/dbraw/zinc/71/08/36/1170710836.db2.gz PGAVHEBLOAKGKY-KRWDZBQOSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891607667 1170710841 /nfs/dbraw/zinc/71/08/41/1170710841.db2.gz PGAVHEBLOAKGKY-KRWDZBQOSA-N 2 2 372.469 0.779 20 30 FCEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)[NH+]1CCOCC1 ZINC000328847038 1170803254 /nfs/dbraw/zinc/80/32/54/1170803254.db2.gz VQQYXDVAGFWIKI-BBWFWOEESA-N 2 2 369.506 0.916 20 30 FCEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)[NH+]1CCOCC1 ZINC000328847038 1170803256 /nfs/dbraw/zinc/80/32/56/1170803256.db2.gz VQQYXDVAGFWIKI-BBWFWOEESA-N 2 2 369.506 0.916 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414243 1171841877 /nfs/dbraw/zinc/84/18/77/1171841877.db2.gz KYLGJLRUNYTPLR-HZPDHXFCSA-N 2 2 367.453 0.772 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)[C@@H]1C ZINC001088632079 1192728228 /nfs/dbraw/zinc/72/82/28/1192728228.db2.gz WFWQWKLVZNOUKR-SQNIBIBYSA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)[C@@H]1C ZINC001088632079 1192728231 /nfs/dbraw/zinc/72/82/31/1192728231.db2.gz WFWQWKLVZNOUKR-SQNIBIBYSA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCN2CCCC2=O)[C@@H]1C ZINC001088632079 1192728233 /nfs/dbraw/zinc/72/82/33/1192728233.db2.gz WFWQWKLVZNOUKR-SQNIBIBYSA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCN2CCCC2=O)[C@@H]1C ZINC001088632079 1192728237 /nfs/dbraw/zinc/72/82/37/1192728237.db2.gz WFWQWKLVZNOUKR-SQNIBIBYSA-N 2 2 360.502 0.676 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468570 1179071113 /nfs/dbraw/zinc/07/11/13/1179071113.db2.gz JDBLCWLWMSUDNR-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734324 1180237233 /nfs/dbraw/zinc/23/72/33/1180237233.db2.gz QDRJTZVQXGLGLD-ZWKOTPCHSA-N 2 2 365.437 0.217 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000972842898 1180887125 /nfs/dbraw/zinc/88/71/25/1180887125.db2.gz XEOFLBNHNBYQBE-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000972842898 1180887129 /nfs/dbraw/zinc/88/71/29/1180887129.db2.gz XEOFLBNHNBYQBE-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665377 1182346191 /nfs/dbraw/zinc/34/61/91/1182346191.db2.gz YXNZPFMQPRINMG-BZUAXINKSA-N 2 2 371.485 0.653 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)CC1 ZINC001083283729 1182496339 /nfs/dbraw/zinc/49/63/39/1182496339.db2.gz QFLMJPRDHWAEJY-VQTJNVASSA-N 2 2 368.481 0.838 20 30 FCEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908506 1186570047 /nfs/dbraw/zinc/57/00/47/1186570047.db2.gz HNFUHJPGSGOMKJ-MSOLQXFVSA-N 2 2 361.486 0.424 20 30 FCEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908506 1186570050 /nfs/dbraw/zinc/57/00/50/1186570050.db2.gz HNFUHJPGSGOMKJ-MSOLQXFVSA-N 2 2 361.486 0.424 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001691501899 1186687341 /nfs/dbraw/zinc/68/73/41/1186687341.db2.gz HAXNVVXCVQBICH-GVDBMIGSSA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001691501899 1186687344 /nfs/dbraw/zinc/68/73/44/1186687344.db2.gz HAXNVVXCVQBICH-GVDBMIGSSA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC(=O)NCC#N ZINC001691501899 1186687357 /nfs/dbraw/zinc/68/73/57/1186687357.db2.gz HAXNVVXCVQBICH-GVDBMIGSSA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC(=O)NCC#N ZINC001691501899 1186687361 /nfs/dbraw/zinc/68/73/61/1186687361.db2.gz HAXNVVXCVQBICH-GVDBMIGSSA-N 2 2 363.506 0.858 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC ZINC000985048765 1190482017 /nfs/dbraw/zinc/48/20/17/1190482017.db2.gz OUEZQRYBGRLGJK-MHORFTMASA-N 2 2 362.518 0.920 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC ZINC000985048765 1190482018 /nfs/dbraw/zinc/48/20/18/1190482018.db2.gz OUEZQRYBGRLGJK-MHORFTMASA-N 2 2 362.518 0.920 20 30 FCEDLP C[C@@H]1C[C@@H](Oc2ccc(C[C@H]([NH3+])C(=O)ON3C(=O)CCC3=O)cc2)C[NH2+]1 ZINC001218039575 1224136165 /nfs/dbraw/zinc/13/61/65/1224136165.db2.gz DOAWEUJBCPUEFL-DFBGVHRSSA-N 2 2 361.398 0.293 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218088142 1224139819 /nfs/dbraw/zinc/13/98/19/1224139819.db2.gz XBTAHADRMJBPQR-GBESFXJTSA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218088142 1224139820 /nfs/dbraw/zinc/13/98/20/1224139820.db2.gz XBTAHADRMJBPQR-GBESFXJTSA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218088142 1224139822 /nfs/dbraw/zinc/13/98/22/1224139822.db2.gz XBTAHADRMJBPQR-GBESFXJTSA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218088142 1224139824 /nfs/dbraw/zinc/13/98/24/1224139824.db2.gz XBTAHADRMJBPQR-GBESFXJTSA-N 2 2 363.502 0.526 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218149471 1224143130 /nfs/dbraw/zinc/14/31/30/1224143130.db2.gz MUSAGIVLKGRSBC-SCGCMHLBSA-N 2 2 373.409 0.150 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218450078 1224161407 /nfs/dbraw/zinc/16/14/07/1224161407.db2.gz VCMBXANOGIVSDY-PXMRGAAZSA-N 2 2 373.409 0.293 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1O ZINC001077158641 1195280126 /nfs/dbraw/zinc/28/01/26/1195280126.db2.gz PJBDFGFQXCTLOV-HSALFYBXSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1O ZINC001077158641 1195280133 /nfs/dbraw/zinc/28/01/33/1195280133.db2.gz PJBDFGFQXCTLOV-HSALFYBXSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1O ZINC001077158641 1195280139 /nfs/dbraw/zinc/28/01/39/1195280139.db2.gz PJBDFGFQXCTLOV-HSALFYBXSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1O ZINC001077158641 1195280143 /nfs/dbraw/zinc/28/01/43/1195280143.db2.gz PJBDFGFQXCTLOV-HSALFYBXSA-N 2 2 355.482 0.796 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)C1=O ZINC001085394420 1197863289 /nfs/dbraw/zinc/86/32/89/1197863289.db2.gz KEJUEPWRTJOLMM-ZACQAIPSSA-N 2 2 359.474 0.767 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333039 1197867896 /nfs/dbraw/zinc/86/78/96/1197867896.db2.gz BLZUTUPYZXDWQS-BZUAXINKSA-N 2 2 359.474 0.432 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)CC1 ZINC001085432854 1197899561 /nfs/dbraw/zinc/89/95/61/1197899561.db2.gz SYPLOXAVOMKMIR-HZPDHXFCSA-N 2 2 359.478 0.072 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489252 1200331587 /nfs/dbraw/zinc/33/15/87/1200331587.db2.gz NFCWDVDFPBBINZ-WCZJQEMASA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489252 1200331596 /nfs/dbraw/zinc/33/15/96/1200331596.db2.gz NFCWDVDFPBBINZ-WCZJQEMASA-N 2 2 365.437 0.807 20 30 FCEDLP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCCC1 ZINC001109565515 1200391864 /nfs/dbraw/zinc/39/18/64/1200391864.db2.gz RLVNIXNHJSZUKD-PMPSAXMXSA-N 2 2 361.490 0.612 20 30 FCEDLP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCCC1 ZINC001109565515 1200391869 /nfs/dbraw/zinc/39/18/69/1200391869.db2.gz RLVNIXNHJSZUKD-PMPSAXMXSA-N 2 2 361.490 0.612 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635760 1200433477 /nfs/dbraw/zinc/43/34/77/1200433477.db2.gz QCVHBAIOAGVDKT-MHORFTMASA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635760 1200433480 /nfs/dbraw/zinc/43/34/80/1200433480.db2.gz QCVHBAIOAGVDKT-MHORFTMASA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635760 1200433499 /nfs/dbraw/zinc/43/34/99/1200433499.db2.gz QCVHBAIOAGVDKT-MHORFTMASA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635760 1200433503 /nfs/dbraw/zinc/43/35/03/1200433503.db2.gz QCVHBAIOAGVDKT-MHORFTMASA-N 2 2 360.502 0.579 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840420 1200549570 /nfs/dbraw/zinc/54/95/70/1200549570.db2.gz PSCNBURYPATDRE-IKGGRYGDSA-N 2 2 359.474 0.995 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840420 1200549573 /nfs/dbraw/zinc/54/95/73/1200549573.db2.gz PSCNBURYPATDRE-IKGGRYGDSA-N 2 2 359.474 0.995 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878171 1200586473 /nfs/dbraw/zinc/58/64/73/1200586473.db2.gz JZODTWLSENQYPM-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878171 1200586483 /nfs/dbraw/zinc/58/64/83/1200586483.db2.gz JZODTWLSENQYPM-BDXSIMOUSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918327 1200604839 /nfs/dbraw/zinc/60/48/39/1200604839.db2.gz BEXIZIAUHFUZCP-SQNIBIBYSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918327 1200604847 /nfs/dbraw/zinc/60/48/47/1200604847.db2.gz BEXIZIAUHFUZCP-SQNIBIBYSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986536 1200680080 /nfs/dbraw/zinc/68/00/80/1200680080.db2.gz ZRAIGVSOWZNMLE-KPEUIFRASA-N 2 2 369.469 0.621 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986536 1200680083 /nfs/dbraw/zinc/68/00/83/1200680083.db2.gz ZRAIGVSOWZNMLE-KPEUIFRASA-N 2 2 369.469 0.621 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129916839 1201427131 /nfs/dbraw/zinc/42/71/31/1201427131.db2.gz FBNUHSXYCGVCBD-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130193467 1201531682 /nfs/dbraw/zinc/53/16/82/1201531682.db2.gz ZETIEBPHXVSYSH-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130193467 1201531686 /nfs/dbraw/zinc/53/16/86/1201531686.db2.gz ZETIEBPHXVSYSH-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130193467 1201531689 /nfs/dbraw/zinc/53/16/89/1201531689.db2.gz ZETIEBPHXVSYSH-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193467 1201531695 /nfs/dbraw/zinc/53/16/95/1201531695.db2.gz ZETIEBPHXVSYSH-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130248997 1201569350 /nfs/dbraw/zinc/56/93/50/1201569350.db2.gz DTQMPZZKBNCFER-GJZGRUSLSA-N 2 2 360.462 0.002 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130248997 1201569354 /nfs/dbraw/zinc/56/93/54/1201569354.db2.gz DTQMPZZKBNCFER-GJZGRUSLSA-N 2 2 360.462 0.002 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619416 1202737632 /nfs/dbraw/zinc/73/76/32/1202737632.db2.gz QIZABZMPDZDYIW-SOLBZPMBSA-N 2 2 366.469 0.787 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3c[nH+]cn3C)n2)O1 ZINC001130815803 1202806833 /nfs/dbraw/zinc/80/68/33/1202806833.db2.gz AMQSQDSXRLXAEJ-UONOGXRCSA-N 2 2 359.434 0.393 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)[C@@H](C)C1 ZINC000747515515 1202890689 /nfs/dbraw/zinc/89/06/89/1202890689.db2.gz CMENTLJSXMQCJO-FHWLQOOXSA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)[C@@H](C)C1 ZINC000747515515 1202890693 /nfs/dbraw/zinc/89/06/93/1202890693.db2.gz CMENTLJSXMQCJO-FHWLQOOXSA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@@H]1C ZINC000747515515 1202890698 /nfs/dbraw/zinc/89/06/98/1202890698.db2.gz CMENTLJSXMQCJO-FHWLQOOXSA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@@H]1C ZINC000747515515 1202890701 /nfs/dbraw/zinc/89/07/01/1202890701.db2.gz CMENTLJSXMQCJO-FHWLQOOXSA-N 2 2 370.497 0.241 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572406 1202916004 /nfs/dbraw/zinc/91/60/04/1202916004.db2.gz HPTPIDZTHXQXGN-MJGOQNOKSA-N 2 2 360.458 0.588 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000817824132 1203122183 /nfs/dbraw/zinc/12/21/83/1203122183.db2.gz ZEQVCYONZGCPTL-SFHVURJKSA-N 2 2 368.481 0.569 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000817824132 1203122186 /nfs/dbraw/zinc/12/21/86/1203122186.db2.gz ZEQVCYONZGCPTL-SFHVURJKSA-N 2 2 368.481 0.569 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297228 1224823385 /nfs/dbraw/zinc/82/33/85/1224823385.db2.gz QIRLIDGEUQNJII-SOLBZPMBSA-N 2 2 368.522 0.159 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297228 1224823389 /nfs/dbraw/zinc/82/33/89/1224823389.db2.gz QIRLIDGEUQNJII-SOLBZPMBSA-N 2 2 368.522 0.159 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985088 1204879350 /nfs/dbraw/zinc/87/93/50/1204879350.db2.gz TUPOXTPHMANONK-BHYGNILZSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985142 1204879842 /nfs/dbraw/zinc/87/98/42/1204879842.db2.gz VTAIVEJIIXJIGM-HYVNUMGLSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110146166 1206091016 /nfs/dbraw/zinc/09/10/16/1206091016.db2.gz OHNWUHGIJAOSFA-SQNIBIBYSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110146166 1206091018 /nfs/dbraw/zinc/09/10/18/1206091018.db2.gz OHNWUHGIJAOSFA-SQNIBIBYSA-N 2 2 374.529 0.968 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)C1=O ZINC001093742526 1206114399 /nfs/dbraw/zinc/11/43/99/1206114399.db2.gz AIFLPJZMMDZQJD-OAGGEKHMSA-N 2 2 359.474 0.813 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1 ZINC001093833039 1206126930 /nfs/dbraw/zinc/12/69/30/1206126930.db2.gz OMEYCUJQPNKDDE-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)o2)[C@H](C)C1 ZINC001093833039 1206126935 /nfs/dbraw/zinc/12/69/35/1206126935.db2.gz OMEYCUJQPNKDDE-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188968 1206307351 /nfs/dbraw/zinc/30/73/51/1206307351.db2.gz XVASCWNFKOXVEY-SQNIBIBYSA-N 2 2 360.502 0.723 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188968 1206307352 /nfs/dbraw/zinc/30/73/52/1206307352.db2.gz XVASCWNFKOXVEY-SQNIBIBYSA-N 2 2 360.502 0.723 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568069 1207464400 /nfs/dbraw/zinc/46/44/00/1207464400.db2.gz CCROFRJKLVTTNV-WMLDXEAASA-N 2 2 353.426 0.783 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568069 1207464402 /nfs/dbraw/zinc/46/44/02/1207464402.db2.gz CCROFRJKLVTTNV-WMLDXEAASA-N 2 2 353.426 0.783 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189045651 1207497586 /nfs/dbraw/zinc/49/75/86/1207497586.db2.gz HUVUNSYNBPSEKK-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189045651 1207497592 /nfs/dbraw/zinc/49/75/92/1207497592.db2.gz HUVUNSYNBPSEKK-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189045651 1207497597 /nfs/dbraw/zinc/49/75/97/1207497597.db2.gz HUVUNSYNBPSEKK-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189045651 1207497601 /nfs/dbraw/zinc/49/76/01/1207497601.db2.gz HUVUNSYNBPSEKK-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056578 1207858030 /nfs/dbraw/zinc/85/80/30/1207858030.db2.gz FJMRQVOUKNSLIF-BRSBDYLESA-N 2 2 374.485 0.518 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056578 1207858031 /nfs/dbraw/zinc/85/80/31/1207858031.db2.gz FJMRQVOUKNSLIF-BRSBDYLESA-N 2 2 374.485 0.518 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194264873 1207928560 /nfs/dbraw/zinc/92/85/60/1207928560.db2.gz IKGABYHHGABJLJ-HZPDHXFCSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194264873 1207928563 /nfs/dbraw/zinc/92/85/63/1207928563.db2.gz IKGABYHHGABJLJ-HZPDHXFCSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264873 1207928566 /nfs/dbraw/zinc/92/85/66/1207928566.db2.gz IKGABYHHGABJLJ-HZPDHXFCSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264873 1207928570 /nfs/dbraw/zinc/92/85/70/1207928570.db2.gz IKGABYHHGABJLJ-HZPDHXFCSA-N 2 2 366.506 0.079 20 30 FCEDLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747096 1225052249 /nfs/dbraw/zinc/05/22/49/1225052249.db2.gz YKYKLADYEWEXMS-CEXWTWQISA-N 2 2 359.470 0.491 20 30 FCEDLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747096 1225052258 /nfs/dbraw/zinc/05/22/58/1225052258.db2.gz YKYKLADYEWEXMS-CEXWTWQISA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747096 1225052268 /nfs/dbraw/zinc/05/22/68/1225052268.db2.gz YKYKLADYEWEXMS-CEXWTWQISA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747096 1225052276 /nfs/dbraw/zinc/05/22/76/1225052276.db2.gz YKYKLADYEWEXMS-CEXWTWQISA-N 2 2 359.470 0.491 20 30 FCEDLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220768911 1225062787 /nfs/dbraw/zinc/06/27/87/1225062787.db2.gz DTZPIWGBVRBRFE-JKSUJKDBSA-N 2 2 355.398 0.062 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220817378 1225086659 /nfs/dbraw/zinc/08/66/59/1225086659.db2.gz UIDFYEZMZMURSN-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220817378 1225086665 /nfs/dbraw/zinc/08/66/65/1225086665.db2.gz UIDFYEZMZMURSN-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220817378 1225086671 /nfs/dbraw/zinc/08/66/71/1225086671.db2.gz UIDFYEZMZMURSN-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220817378 1225086678 /nfs/dbraw/zinc/08/66/78/1225086678.db2.gz UIDFYEZMZMURSN-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660567 1209582849 /nfs/dbraw/zinc/58/28/49/1209582849.db2.gz FSSOCQOVYVGXBT-MLHJIOFPSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660567 1209582858 /nfs/dbraw/zinc/58/28/58/1209582858.db2.gz FSSOCQOVYVGXBT-MLHJIOFPSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660567 1209582866 /nfs/dbraw/zinc/58/28/66/1209582866.db2.gz FSSOCQOVYVGXBT-MLHJIOFPSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660567 1209582870 /nfs/dbraw/zinc/58/28/70/1209582870.db2.gz FSSOCQOVYVGXBT-MLHJIOFPSA-N 2 2 360.502 0.720 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091403 1225218449 /nfs/dbraw/zinc/21/84/49/1225218449.db2.gz NGJFAAFZPNFXSD-BBWFWOEESA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091403 1225218457 /nfs/dbraw/zinc/21/84/57/1225218457.db2.gz NGJFAAFZPNFXSD-BBWFWOEESA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091403 1225218461 /nfs/dbraw/zinc/21/84/61/1225218461.db2.gz NGJFAAFZPNFXSD-BBWFWOEESA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091403 1225218465 /nfs/dbraw/zinc/21/84/65/1225218465.db2.gz NGJFAAFZPNFXSD-BBWFWOEESA-N 2 2 368.522 0.301 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000884060028 1210712865 /nfs/dbraw/zinc/71/28/65/1210712865.db2.gz MAWKSTHHMJYNTQ-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000884060028 1210712870 /nfs/dbraw/zinc/71/28/70/1210712870.db2.gz MAWKSTHHMJYNTQ-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C ZINC001095556469 1211410576 /nfs/dbraw/zinc/41/05/76/1211410576.db2.gz SRAVUDOPWZUMBL-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccnn1C ZINC001095556469 1211410578 /nfs/dbraw/zinc/41/05/78/1211410578.db2.gz SRAVUDOPWZUMBL-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccnn1C ZINC001095556469 1211410580 /nfs/dbraw/zinc/41/05/80/1211410580.db2.gz SRAVUDOPWZUMBL-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccnn1C ZINC001095556469 1211410582 /nfs/dbraw/zinc/41/05/82/1211410582.db2.gz SRAVUDOPWZUMBL-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179512 1211913613 /nfs/dbraw/zinc/91/36/13/1211913613.db2.gz JZODTWLSENQYPM-MLHJIOFPSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179512 1211913615 /nfs/dbraw/zinc/91/36/15/1211913615.db2.gz JZODTWLSENQYPM-MLHJIOFPSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000778877535 1211932934 /nfs/dbraw/zinc/93/29/34/1211932934.db2.gz OVRGSZBUEOBIPX-OALUTQOASA-N 2 2 372.513 0.489 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000778877535 1211932938 /nfs/dbraw/zinc/93/29/38/1211932938.db2.gz OVRGSZBUEOBIPX-OALUTQOASA-N 2 2 372.513 0.489 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952057 1225549987 /nfs/dbraw/zinc/54/99/87/1225549987.db2.gz OCYNVXFELHZPLW-IIDMSEBBSA-N 2 2 371.485 0.985 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952057 1225549993 /nfs/dbraw/zinc/54/99/93/1225549993.db2.gz OCYNVXFELHZPLW-IIDMSEBBSA-N 2 2 371.485 0.985 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001222044233 1225588721 /nfs/dbraw/zinc/58/87/21/1225588721.db2.gz SZZVBTIYUBPEKS-QZTJIDSGSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001222044233 1225588726 /nfs/dbraw/zinc/58/87/26/1225588726.db2.gz SZZVBTIYUBPEKS-QZTJIDSGSA-N 2 2 360.502 0.391 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656377 1225642604 /nfs/dbraw/zinc/64/26/04/1225642604.db2.gz GGDQGZCBMAPIGU-IKGGRYGDSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656377 1225642606 /nfs/dbraw/zinc/64/26/06/1225642606.db2.gz GGDQGZCBMAPIGU-IKGGRYGDSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656377 1225642609 /nfs/dbraw/zinc/64/26/09/1225642609.db2.gz GGDQGZCBMAPIGU-IKGGRYGDSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656377 1225642611 /nfs/dbraw/zinc/64/26/11/1225642611.db2.gz GGDQGZCBMAPIGU-IKGGRYGDSA-N 2 2 361.490 0.422 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(C)C)[C@H]2C1 ZINC001222913720 1225666095 /nfs/dbraw/zinc/66/60/95/1225666095.db2.gz VPLFQUYFBHWKSU-SQNIBIBYSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(C)C)[C@H]2C1 ZINC001222913720 1225666097 /nfs/dbraw/zinc/66/60/97/1225666097.db2.gz VPLFQUYFBHWKSU-SQNIBIBYSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)C)[C@H]2C1 ZINC001222913720 1225666099 /nfs/dbraw/zinc/66/60/99/1225666099.db2.gz VPLFQUYFBHWKSU-SQNIBIBYSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)C)[C@H]2C1 ZINC001222913720 1225666102 /nfs/dbraw/zinc/66/61/02/1225666102.db2.gz VPLFQUYFBHWKSU-SQNIBIBYSA-N 2 2 360.502 0.531 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962145 1216868802 /nfs/dbraw/zinc/86/88/02/1216868802.db2.gz HICBQHZOZTWTAY-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962145 1216868803 /nfs/dbraw/zinc/86/88/03/1216868803.db2.gz HICBQHZOZTWTAY-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009352 1216896036 /nfs/dbraw/zinc/89/60/36/1216896036.db2.gz VYFSUKLPBQKOMU-OIISXLGYSA-N 2 2 355.446 0.573 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009352 1216896037 /nfs/dbraw/zinc/89/60/37/1216896037.db2.gz VYFSUKLPBQKOMU-OIISXLGYSA-N 2 2 355.446 0.573 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070054481 1216933138 /nfs/dbraw/zinc/93/31/38/1216933138.db2.gz ZQXALBQXOWZGLQ-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070054481 1216933141 /nfs/dbraw/zinc/93/31/41/1216933141.db2.gz ZQXALBQXOWZGLQ-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP Cc1ccc(C#N)c(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096307399 1218232361 /nfs/dbraw/zinc/23/23/61/1218232361.db2.gz ANQGGIKCTXCFFW-SJLPKXTDSA-N 2 2 370.501 0.840 20 30 FCEDLP Cc1ccc(C#N)c(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096307399 1218232369 /nfs/dbraw/zinc/23/23/69/1218232369.db2.gz ANQGGIKCTXCFFW-SJLPKXTDSA-N 2 2 370.501 0.840 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@@H+]1C ZINC001096308037 1218233267 /nfs/dbraw/zinc/23/32/67/1218233267.db2.gz VKYPOSKBUQJOKW-NVXWUHKLSA-N 2 2 356.474 0.532 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@H+]1C ZINC001096308037 1218233268 /nfs/dbraw/zinc/23/32/68/1218233268.db2.gz VKYPOSKBUQJOKW-NVXWUHKLSA-N 2 2 356.474 0.532 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[N@@H+]1C ZINC001096307967 1218233365 /nfs/dbraw/zinc/23/33/65/1218233365.db2.gz SIJXRBDZUFKWKA-RBUKOAKNSA-N 2 2 370.501 0.922 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC001096307967 1218233369 /nfs/dbraw/zinc/23/33/69/1218233369.db2.gz SIJXRBDZUFKWKA-RBUKOAKNSA-N 2 2 370.501 0.922 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001111454912 1218846519 /nfs/dbraw/zinc/84/65/19/1218846519.db2.gz DAQAXTSNAFOJPV-QRVBRYPASA-N 2 2 374.529 0.969 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001111454912 1218846520 /nfs/dbraw/zinc/84/65/20/1218846520.db2.gz DAQAXTSNAFOJPV-QRVBRYPASA-N 2 2 374.529 0.969 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128778 1225864088 /nfs/dbraw/zinc/86/40/88/1225864088.db2.gz ZBYWQPIWHFGLLE-FVQBIDKESA-N 2 2 358.446 0.102 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306457 1219364217 /nfs/dbraw/zinc/36/42/17/1219364217.db2.gz BQLGXWUQCAHUJH-SJORKVTESA-N 2 2 364.413 0.700 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070918287 1219573008 /nfs/dbraw/zinc/57/30/08/1219573008.db2.gz ZFIUWPRJYPHVCQ-ZACQAIPSSA-N 2 2 362.474 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070918287 1219573011 /nfs/dbraw/zinc/57/30/11/1219573011.db2.gz ZFIUWPRJYPHVCQ-ZACQAIPSSA-N 2 2 362.474 0.620 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467479 1219933155 /nfs/dbraw/zinc/93/31/55/1219933155.db2.gz KMTFCIYVEMHDNI-VXIBKDFQSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467479 1219933158 /nfs/dbraw/zinc/93/31/58/1219933158.db2.gz KMTFCIYVEMHDNI-VXIBKDFQSA-N 2 2 360.502 0.578 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228670010 1225941176 /nfs/dbraw/zinc/94/11/76/1225941176.db2.gz ZUNAKAWVPTZMCU-KBUPBQIOSA-N 2 2 358.446 0.180 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214233 1220230995 /nfs/dbraw/zinc/23/09/95/1220230995.db2.gz UGNOSDBJGWUNCS-CLCXKQKWSA-N 2 2 357.458 0.261 20 30 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C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526304 1223809213 /nfs/dbraw/zinc/80/92/13/1223809213.db2.gz HEVQRVUVBYFMDJ-USXIJHARSA-N 2 2 366.506 0.224 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972453 1223879458 /nfs/dbraw/zinc/87/94/58/1223879458.db2.gz YHCFAEKRYOGSCK-IAGOWNOFSA-N 2 2 366.506 0.370 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972453 1223879459 /nfs/dbraw/zinc/87/94/59/1223879459.db2.gz YHCFAEKRYOGSCK-IAGOWNOFSA-N 2 2 366.506 0.370 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269263 1223986757 /nfs/dbraw/zinc/98/67/57/1223986757.db2.gz SWMRKEBTDXWBJR-HZPDHXFCSA-N 2 2 360.462 0.472 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185098 1224038291 /nfs/dbraw/zinc/03/82/91/1224038291.db2.gz MNPLMFCIPWKGOV-CRAIPNDOSA-N 2 2 353.426 0.967 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993600711 1249775194 /nfs/dbraw/zinc/77/51/94/1249775194.db2.gz DAXMCDNMNHXLEA-ZACQAIPSSA-N 2 2 369.469 0.338 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993600711 1249775199 /nfs/dbraw/zinc/77/51/99/1249775199.db2.gz DAXMCDNMNHXLEA-ZACQAIPSSA-N 2 2 369.469 0.338 20 30 FCEDLP C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000993631865 1249876281 /nfs/dbraw/zinc/87/62/81/1249876281.db2.gz ODHGYVPCHWDGHD-RRFJBIMHSA-N 2 2 358.446 0.086 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1c[nH+]cn1C ZINC000993634532 1249885410 /nfs/dbraw/zinc/88/54/10/1249885410.db2.gz YSHUDNXPRAJVKM-NWANDNLSSA-N 2 2 369.429 0.196 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2)CC1 ZINC001327835080 1265439283 /nfs/dbraw/zinc/43/92/83/1265439283.db2.gz RMVGVAWBFRZIRE-AWEZNQCLSA-N 2 2 356.430 0.176 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2)CC1 ZINC001327835080 1265439289 /nfs/dbraw/zinc/43/92/89/1265439289.db2.gz RMVGVAWBFRZIRE-AWEZNQCLSA-N 2 2 356.430 0.176 20 30 FCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079129695 1255444497 /nfs/dbraw/zinc/44/44/97/1255444497.db2.gz BBHJYXLGYIUWOW-VAMGGRTRSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079129695 1255444502 /nfs/dbraw/zinc/44/45/02/1255444502.db2.gz BBHJYXLGYIUWOW-VAMGGRTRSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129695 1255444505 /nfs/dbraw/zinc/44/45/05/1255444505.db2.gz BBHJYXLGYIUWOW-VAMGGRTRSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129695 1255444511 /nfs/dbraw/zinc/44/45/11/1255444511.db2.gz BBHJYXLGYIUWOW-VAMGGRTRSA-N 2 2 371.481 0.414 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977749 1256480111 /nfs/dbraw/zinc/48/01/11/1256480111.db2.gz RXNGKVDYCOCSEQ-ZJPYXAASSA-N 2 2 367.490 0.258 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977749 1256480112 /nfs/dbraw/zinc/48/01/12/1256480112.db2.gz RXNGKVDYCOCSEQ-ZJPYXAASSA-N 2 2 367.490 0.258 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369037 1256717306 /nfs/dbraw/zinc/71/73/06/1256717306.db2.gz WIJUNFKWDOIYLV-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369037 1256717312 /nfs/dbraw/zinc/71/73/12/1256717312.db2.gz WIJUNFKWDOIYLV-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369037 1256717318 /nfs/dbraw/zinc/71/73/18/1256717318.db2.gz WIJUNFKWDOIYLV-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369037 1256717321 /nfs/dbraw/zinc/71/73/21/1256717321.db2.gz WIJUNFKWDOIYLV-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368690 1256717352 /nfs/dbraw/zinc/71/73/52/1256717352.db2.gz KUTAVWFISVFMSG-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368690 1256717355 /nfs/dbraw/zinc/71/73/55/1256717355.db2.gz KUTAVWFISVFMSG-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368690 1256717357 /nfs/dbraw/zinc/71/73/57/1256717357.db2.gz KUTAVWFISVFMSG-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368690 1256717359 /nfs/dbraw/zinc/71/73/59/1256717359.db2.gz KUTAVWFISVFMSG-KBAYOESNSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2OC)CC1 ZINC001082384200 1256734507 /nfs/dbraw/zinc/73/45/07/1256734507.db2.gz IORUSHCFSRSLCY-KFKAGJAMSA-N 2 2 371.485 0.698 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2OC)CC1 ZINC001082384200 1256734512 /nfs/dbraw/zinc/73/45/12/1256734512.db2.gz IORUSHCFSRSLCY-KFKAGJAMSA-N 2 2 371.485 0.698 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001082567812 1256873302 /nfs/dbraw/zinc/87/33/02/1256873302.db2.gz CRFXXAXJBDIQNF-OAGGEKHMSA-N 2 2 362.453 0.282 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001082567812 1256873313 /nfs/dbraw/zinc/87/33/13/1256873313.db2.gz CRFXXAXJBDIQNF-OAGGEKHMSA-N 2 2 362.453 0.282 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001082892592 1257129035 /nfs/dbraw/zinc/12/90/35/1257129035.db2.gz IYMCWKLSUJPMCL-HYVNUMGLSA-N 2 2 359.474 0.576 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1C#N ZINC001083645759 1257464538 /nfs/dbraw/zinc/46/45/38/1257464538.db2.gz RPAONTWEXQHOAA-SJORKVTESA-N 2 2 369.425 0.433 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1C#N ZINC001083645759 1257464540 /nfs/dbraw/zinc/46/45/40/1257464540.db2.gz RPAONTWEXQHOAA-SJORKVTESA-N 2 2 369.425 0.433 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084058191 1257870315 /nfs/dbraw/zinc/87/03/15/1257870315.db2.gz ONBVNGQBOGUXKT-MSOLQXFVSA-N 2 2 358.442 0.346 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084058191 1257870327 /nfs/dbraw/zinc/87/03/27/1257870327.db2.gz ONBVNGQBOGUXKT-MSOLQXFVSA-N 2 2 358.442 0.346 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001084090319 1257915248 /nfs/dbraw/zinc/91/52/48/1257915248.db2.gz URZUFAVRWNMPTL-OLMNPRSZSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001084090319 1257915252 /nfs/dbraw/zinc/91/52/52/1257915252.db2.gz URZUFAVRWNMPTL-OLMNPRSZSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001084418069 1258099635 /nfs/dbraw/zinc/09/96/35/1258099635.db2.gz SXQUONYJSUCBBA-NZSAHSFTSA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001084418069 1258099639 /nfs/dbraw/zinc/09/96/39/1258099639.db2.gz SXQUONYJSUCBBA-NZSAHSFTSA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccnn3C)C[C@H]21 ZINC001084418069 1258099647 /nfs/dbraw/zinc/09/96/47/1258099647.db2.gz SXQUONYJSUCBBA-NZSAHSFTSA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccnn3C)C[C@H]21 ZINC001084418069 1258099651 /nfs/dbraw/zinc/09/96/51/1258099651.db2.gz SXQUONYJSUCBBA-NZSAHSFTSA-N 2 2 355.486 0.593 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001084522365 1258149116 /nfs/dbraw/zinc/14/91/16/1258149116.db2.gz XWZFMLFWROZHJC-BRWVUGGUSA-N 2 2 357.458 0.511 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001084522365 1258149121 /nfs/dbraw/zinc/14/91/21/1258149121.db2.gz XWZFMLFWROZHJC-BRWVUGGUSA-N 2 2 357.458 0.511 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nn4)[C@H]3C2)CC1 ZINC001085100561 1258593347 /nfs/dbraw/zinc/59/33/47/1258593347.db2.gz MVPLINXEULWHPU-APWZRJJASA-N 2 2 370.501 0.583 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C)nn4)[C@H]3C2)CC1 ZINC001085100561 1258593354 /nfs/dbraw/zinc/59/33/54/1258593354.db2.gz MVPLINXEULWHPU-APWZRJJASA-N 2 2 370.501 0.583 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799974 1258965638 /nfs/dbraw/zinc/96/56/38/1258965638.db2.gz ZWJZQUMLDBOESI-HUUCEWRRSA-N 2 2 360.462 0.398 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106877146 1258986722 /nfs/dbraw/zinc/98/67/22/1258986722.db2.gz OSZSXRPGTPNULQ-RBSFLKMASA-N 2 2 359.474 0.509 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076489 1259028566 /nfs/dbraw/zinc/02/85/66/1259028566.db2.gz XSBLWGPCJUWDKQ-IXDOHACOSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491584 1259101700 /nfs/dbraw/zinc/10/17/00/1259101700.db2.gz HMZFXZQSBOJNKO-VQIMIIECSA-N 2 2 357.458 0.383 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491584 1259101703 /nfs/dbraw/zinc/10/17/03/1259101703.db2.gz HMZFXZQSBOJNKO-VQIMIIECSA-N 2 2 357.458 0.383 20 30 FCEDLP C=CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001128012224 1259190513 /nfs/dbraw/zinc/19/05/13/1259190513.db2.gz LXSYKBBHRHXRSY-QLFBSQMISA-N 2 2 362.478 0.094 20 30 FCEDLP C=CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001128012224 1259190514 /nfs/dbraw/zinc/19/05/14/1259190514.db2.gz LXSYKBBHRHXRSY-QLFBSQMISA-N 2 2 362.478 0.094 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301510 1259457691 /nfs/dbraw/zinc/45/76/91/1259457691.db2.gz XLNLWZKEMCXTRO-IAGOWNOFSA-N 2 2 362.474 0.780 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301510 1259457695 /nfs/dbraw/zinc/45/76/95/1259457695.db2.gz XLNLWZKEMCXTRO-IAGOWNOFSA-N 2 2 362.474 0.780 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403730 1259492194 /nfs/dbraw/zinc/49/21/94/1259492194.db2.gz SVCUFLZROIATIU-BRWVUGGUSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403730 1259492199 /nfs/dbraw/zinc/49/21/99/1259492199.db2.gz SVCUFLZROIATIU-BRWVUGGUSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403730 1259492200 /nfs/dbraw/zinc/49/22/00/1259492200.db2.gz SVCUFLZROIATIU-BRWVUGGUSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403730 1259492205 /nfs/dbraw/zinc/49/22/05/1259492205.db2.gz SVCUFLZROIATIU-BRWVUGGUSA-N 2 2 366.506 0.367 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C(C)=C\C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976712 1266270712 /nfs/dbraw/zinc/27/07/12/1266270712.db2.gz RNNCBGZYHUZWGW-FRZLUIPESA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C(C)=C\C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976712 1266270722 /nfs/dbraw/zinc/27/07/22/1266270722.db2.gz RNNCBGZYHUZWGW-FRZLUIPESA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(/C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976712 1266270727 /nfs/dbraw/zinc/27/07/27/1266270727.db2.gz RNNCBGZYHUZWGW-FRZLUIPESA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(/C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976712 1266270732 /nfs/dbraw/zinc/27/07/32/1266270732.db2.gz RNNCBGZYHUZWGW-FRZLUIPESA-N 2 2 370.497 0.360 20 30 FCEDLP N#CC1(C(=O)N2CCC3(C[NH+](Cc4c[nH+]ccc4N)C3)C2)CCOCC1 ZINC001279616373 1260899926 /nfs/dbraw/zinc/89/99/26/1260899926.db2.gz GPTUCWQGYNVEEW-UHFFFAOYSA-N 2 2 355.442 0.849 20 30 FCEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280181838 1261023664 /nfs/dbraw/zinc/02/36/64/1261023664.db2.gz XQMCJLLFGAHGQO-HZPDHXFCSA-N 2 2 355.442 0.713 20 30 FCEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280181838 1261023667 /nfs/dbraw/zinc/02/36/67/1261023667.db2.gz XQMCJLLFGAHGQO-HZPDHXFCSA-N 2 2 355.442 0.713 20 30 FCEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280181837 1261023823 /nfs/dbraw/zinc/02/38/23/1261023823.db2.gz XQMCJLLFGAHGQO-HOTGVXAUSA-N 2 2 355.442 0.713 20 30 FCEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280181837 1261023826 /nfs/dbraw/zinc/02/38/26/1261023826.db2.gz XQMCJLLFGAHGQO-HOTGVXAUSA-N 2 2 355.442 0.713 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC2(O)CCCC2)CC1 ZINC001574706616 1271496661 /nfs/dbraw/zinc/49/66/61/1271496661.db2.gz GTKAUBFGLQQZJI-INIZCTEOSA-N 2 2 358.490 0.763 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH2+]C2CC2)CC1 ZINC001574707605 1271498168 /nfs/dbraw/zinc/49/81/68/1271498168.db2.gz XGESBCRHMMXWPB-UHFFFAOYSA-N 2 2 354.462 0.186 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351162 1282445783 /nfs/dbraw/zinc/44/57/83/1282445783.db2.gz HDUVITYEQHRSHW-BBRMVZONSA-N 2 2 368.445 0.088 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351162 1282445788 /nfs/dbraw/zinc/44/57/88/1282445788.db2.gz HDUVITYEQHRSHW-BBRMVZONSA-N 2 2 368.445 0.088 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1C#N ZINC001699065926 1289544159 /nfs/dbraw/zinc/54/41/59/1289544159.db2.gz JABNKAYONTZXIH-GVDBMIGSSA-N 2 2 371.416 0.801 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070319747 837646306 /nfs/dbraw/zinc/64/63/06/837646306.db2.gz DRGBZTABOZULKV-CABCVRRESA-N 2 2 363.853 0.738 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478406 837654543 /nfs/dbraw/zinc/65/45/43/837654543.db2.gz ZCNSLGXSUUHABY-IMJJTQAJSA-N 2 2 367.881 0.387 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478406 837654546 /nfs/dbraw/zinc/65/45/46/837654546.db2.gz ZCNSLGXSUUHABY-IMJJTQAJSA-N 2 2 367.881 0.387 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054155 841668830 /nfs/dbraw/zinc/66/88/30/841668830.db2.gz YOPSVFKVRABGMZ-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054155 841668837 /nfs/dbraw/zinc/66/88/37/841668837.db2.gz YOPSVFKVRABGMZ-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054155 841668840 /nfs/dbraw/zinc/66/88/40/841668840.db2.gz YOPSVFKVRABGMZ-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054155 841668848 /nfs/dbraw/zinc/66/88/48/841668848.db2.gz YOPSVFKVRABGMZ-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnns3)CC[C@@H]2C1 ZINC001087997964 842496649 /nfs/dbraw/zinc/49/66/49/842496649.db2.gz JRAOFYOIFDILJJ-VYDXJSESSA-N 2 2 359.499 0.916 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnns3)CC[C@@H]2C1 ZINC001087997964 842496655 /nfs/dbraw/zinc/49/66/55/842496655.db2.gz JRAOFYOIFDILJJ-VYDXJSESSA-N 2 2 359.499 0.916 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnns3)CC[C@@H]2C1 ZINC001087997964 842496660 /nfs/dbraw/zinc/49/66/60/842496660.db2.gz JRAOFYOIFDILJJ-VYDXJSESSA-N 2 2 359.499 0.916 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnns3)CC[C@@H]2C1 ZINC001087997964 842496664 /nfs/dbraw/zinc/49/66/64/842496664.db2.gz JRAOFYOIFDILJJ-VYDXJSESSA-N 2 2 359.499 0.916 20 30 FCEDLP C=CCCC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276340083 861421141 /nfs/dbraw/zinc/42/11/41/861421141.db2.gz YANTVDZIXREXNT-UHFFFAOYSA-N 2 2 350.507 0.503 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099262276 843995991 /nfs/dbraw/zinc/99/59/91/843995991.db2.gz GSWNTKHDFDXNHF-MGPQQGTHSA-N 2 2 357.380 0.425 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276794426 861611976 /nfs/dbraw/zinc/61/19/76/861611976.db2.gz JLIXJAIIFXINPV-QAPCUYQASA-N 2 2 352.479 0.342 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276794426 861611985 /nfs/dbraw/zinc/61/19/85/861611985.db2.gz JLIXJAIIFXINPV-QAPCUYQASA-N 2 2 352.479 0.342 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176721 852905908 /nfs/dbraw/zinc/90/59/08/852905908.db2.gz OYJFBHBOJWBXRV-IIDMSEBBSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176721 852905912 /nfs/dbraw/zinc/90/59/12/852905912.db2.gz OYJFBHBOJWBXRV-IIDMSEBBSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176721 852905916 /nfs/dbraw/zinc/90/59/16/852905916.db2.gz OYJFBHBOJWBXRV-IIDMSEBBSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176721 852905922 /nfs/dbraw/zinc/90/59/22/852905922.db2.gz OYJFBHBOJWBXRV-IIDMSEBBSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073467 855947062 /nfs/dbraw/zinc/94/70/62/855947062.db2.gz BJDKBNWSRNLOPT-MSOLQXFVSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073467 855947063 /nfs/dbraw/zinc/94/70/63/855947063.db2.gz BJDKBNWSRNLOPT-MSOLQXFVSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073467 855947065 /nfs/dbraw/zinc/94/70/65/855947065.db2.gz BJDKBNWSRNLOPT-MSOLQXFVSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073467 855947067 /nfs/dbraw/zinc/94/70/67/855947067.db2.gz BJDKBNWSRNLOPT-MSOLQXFVSA-N 2 2 351.491 0.452 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419860322 246330126 /nfs/dbraw/zinc/33/01/26/246330126.db2.gz ALFAZKWICUBJNX-QZTJIDSGSA-N 2 2 369.469 0.589 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419914146 246364906 /nfs/dbraw/zinc/36/49/06/246364906.db2.gz NOWUNMICSDFMLB-KRWDZBQOSA-N 2 2 369.469 0.318 20 30 FCEDLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423592585 247067303 /nfs/dbraw/zinc/06/73/03/247067303.db2.gz DPTRERHQKDWWIB-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000264127229 229322594 /nfs/dbraw/zinc/32/25/94/229322594.db2.gz WWKJNVCEZGTGSJ-UHFFFAOYSA-N 3 2 351.520 0.733 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@H+]1CCc2sccc2C1 ZINC000264127229 229322597 /nfs/dbraw/zinc/32/25/97/229322597.db2.gz WWKJNVCEZGTGSJ-UHFFFAOYSA-N 3 2 351.520 0.733 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000303891826 488892507 /nfs/dbraw/zinc/89/25/07/488892507.db2.gz QXFKULJEECLFAE-UHFFFAOYSA-N 3 2 369.579 0.975 20 30 FCEDLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000328897628 488948663 /nfs/dbraw/zinc/94/86/63/488948663.db2.gz CSWXSYYQWLAOJR-HUUCEWRRSA-N 2 2 370.519 0.313 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993870 488958483 /nfs/dbraw/zinc/95/84/83/488958483.db2.gz DWIPWNAOTNYZII-XHSDSOJGSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993870 488958486 /nfs/dbraw/zinc/95/84/86/488958486.db2.gz DWIPWNAOTNYZII-XHSDSOJGSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993870 488958489 /nfs/dbraw/zinc/95/84/89/488958489.db2.gz DWIPWNAOTNYZII-XHSDSOJGSA-N 2 2 367.494 0.602 20 30 FCEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993870 488958491 /nfs/dbraw/zinc/95/84/91/488958491.db2.gz DWIPWNAOTNYZII-XHSDSOJGSA-N 2 2 367.494 0.602 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000103150812 488499973 /nfs/dbraw/zinc/49/99/73/488499973.db2.gz JUIYHSDETLCRKL-GOSISDBHSA-N 2 2 372.469 0.538 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153942876 488736858 /nfs/dbraw/zinc/73/68/58/488736858.db2.gz YCTGJOWHSJAVBW-ULQDDVLXSA-N 2 2 365.522 0.877 20 30 FCEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329261475 488986742 /nfs/dbraw/zinc/98/67/42/488986742.db2.gz DBXYCVYZKKVFSE-BRWVUGGUSA-N 2 2 354.495 0.589 20 30 FCEDLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329261475 488986745 /nfs/dbraw/zinc/98/67/45/488986745.db2.gz DBXYCVYZKKVFSE-BRWVUGGUSA-N 2 2 354.495 0.589 20 30 FCEDLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+](C2CC2)CC1 ZINC000329305014 488991848 /nfs/dbraw/zinc/99/18/48/488991848.db2.gz ANYAZGFSCCPVNF-UHFFFAOYSA-N 2 2 362.478 1.168 20 30 FCEDLP C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000329530277 489013230 /nfs/dbraw/zinc/01/32/30/489013230.db2.gz VPYMXNNHXYFTJE-MRXNPFEDSA-N 2 2 373.505 0.753 20 30 FCEDLP C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000329530277 489013234 /nfs/dbraw/zinc/01/32/34/489013234.db2.gz VPYMXNNHXYFTJE-MRXNPFEDSA-N 2 2 373.505 0.753 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]21 ZINC000329893135 489046493 /nfs/dbraw/zinc/04/64/93/489046493.db2.gz ALFVZODCMHXOAB-USXIJHARSA-N 2 2 352.479 0.416 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]21 ZINC000329893135 489046495 /nfs/dbraw/zinc/04/64/95/489046495.db2.gz ALFVZODCMHXOAB-USXIJHARSA-N 2 2 352.479 0.416 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056694 /nfs/dbraw/zinc/05/66/94/489056694.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056698 /nfs/dbraw/zinc/05/66/98/489056698.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056700 /nfs/dbraw/zinc/05/67/00/489056700.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 2 354.495 0.315 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056703 /nfs/dbraw/zinc/05/67/03/489056703.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 2 354.495 0.315 20 30 FCEDLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330260376 489085306 /nfs/dbraw/zinc/08/53/06/489085306.db2.gz OGNYFENENFVEKO-OAHLLOKOSA-N 2 2 358.508 0.583 20 30 FCEDLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330260376 489085309 /nfs/dbraw/zinc/08/53/09/489085309.db2.gz OGNYFENENFVEKO-OAHLLOKOSA-N 2 2 358.508 0.583 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330536978 489113904 /nfs/dbraw/zinc/11/39/04/489113904.db2.gz SPSLDWXLMFPIQU-JYJNAYRXSA-N 2 2 351.495 0.549 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330536978 489113907 /nfs/dbraw/zinc/11/39/07/489113907.db2.gz SPSLDWXLMFPIQU-JYJNAYRXSA-N 2 2 351.495 0.549 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000293241061 489182369 /nfs/dbraw/zinc/18/23/69/489182369.db2.gz CUWYVQNKAGZZIL-UHFFFAOYSA-N 2 2 372.469 0.529 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000283921031 489299573 /nfs/dbraw/zinc/29/95/73/489299573.db2.gz GOSFNKGLXHFCBJ-SJORKVTESA-N 2 2 366.506 0.248 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000283921031 489299575 /nfs/dbraw/zinc/29/95/75/489299575.db2.gz GOSFNKGLXHFCBJ-SJORKVTESA-N 2 2 366.506 0.248 20 30 FCEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000286385859 489386610 /nfs/dbraw/zinc/38/66/10/489386610.db2.gz ZIUXTEAFNCWAGB-UHFFFAOYSA-N 2 2 355.446 0.356 20 30 FCEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000286385859 489386612 /nfs/dbraw/zinc/38/66/12/489386612.db2.gz ZIUXTEAFNCWAGB-UHFFFAOYSA-N 2 2 355.446 0.356 20 30 FCEDLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017546 490521333 /nfs/dbraw/zinc/52/13/33/490521333.db2.gz WNHQAVGBCBUJQZ-KRWDZBQOSA-N 2 2 355.442 0.023 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851889 490538289 /nfs/dbraw/zinc/53/82/89/490538289.db2.gz VIFBYSJKOXHOCY-DLBZAZTESA-N 2 2 373.505 0.945 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851889 490538294 /nfs/dbraw/zinc/53/82/94/490538294.db2.gz VIFBYSJKOXHOCY-DLBZAZTESA-N 2 2 373.505 0.945 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCNC(=O)C3)CC2)cc1 ZINC000573506326 491437650 /nfs/dbraw/zinc/43/76/50/491437650.db2.gz QXGUNZBDGMYZMH-UHFFFAOYSA-N 2 2 355.486 0.934 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000574385419 491492442 /nfs/dbraw/zinc/49/24/42/491492442.db2.gz BFAUSAYJGNGESP-GOSISDBHSA-N 2 2 357.458 0.764 20 30 FCEDLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000577515442 491628272 /nfs/dbraw/zinc/62/82/72/491628272.db2.gz OHRHWWBEQJLNCG-UHFFFAOYSA-N 2 2 371.485 0.660 20 30 FCEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602591678 491993658 /nfs/dbraw/zinc/99/36/58/491993658.db2.gz BREOUFNDTVZPMA-IAGOWNOFSA-N 2 2 364.490 0.608 20 30 FCEDLP C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597263846 492025627 /nfs/dbraw/zinc/02/56/27/492025627.db2.gz CNFCVEQPGAYVNF-OAHLLOKOSA-N 2 2 368.547 0.697 20 30 FCEDLP C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597263846 492025629 /nfs/dbraw/zinc/02/56/29/492025629.db2.gz CNFCVEQPGAYVNF-OAHLLOKOSA-N 2 2 368.547 0.697 20 30 FCEDLP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262005835 526356301 /nfs/dbraw/zinc/35/63/01/526356301.db2.gz VOCHDEYDHYJTMC-HUUCEWRRSA-N 2 2 368.507 0.377 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261665732 526388439 /nfs/dbraw/zinc/38/84/39/526388439.db2.gz BKWZDISMBUNZNM-OAHLLOKOSA-N 2 2 360.466 0.369 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262819211 526389037 /nfs/dbraw/zinc/38/90/37/526389037.db2.gz WNILZLMNCMJTJA-UONOGXRCSA-N 2 2 363.510 0.798 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188322694 526607842 /nfs/dbraw/zinc/60/78/42/526607842.db2.gz IZPUNGDNPNROFN-OXJNMPFZSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188322694 526607846 /nfs/dbraw/zinc/60/78/46/526607846.db2.gz IZPUNGDNPNROFN-OXJNMPFZSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188322694 526607851 /nfs/dbraw/zinc/60/78/51/526607851.db2.gz IZPUNGDNPNROFN-OXJNMPFZSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188322694 526607855 /nfs/dbraw/zinc/60/78/55/526607855.db2.gz IZPUNGDNPNROFN-OXJNMPFZSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262447051 526956760 /nfs/dbraw/zinc/95/67/60/526956760.db2.gz VJWKJPUKOMCPMU-JKSUJKDBSA-N 2 2 352.504 0.499 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262395389 527385376 /nfs/dbraw/zinc/38/53/76/527385376.db2.gz MXQXZJMCXVIRBV-HOTGVXAUSA-N 2 2 354.520 0.721 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963362 528810965 /nfs/dbraw/zinc/81/09/65/528810965.db2.gz KUHMEBIJKRFRCB-KSZLIROESA-N 3 2 359.522 0.731 20 30 FCEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709285 664944362 /nfs/dbraw/zinc/94/43/62/664944362.db2.gz ILLSWUZHFAIQQM-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709285 664944363 /nfs/dbraw/zinc/94/43/63/664944363.db2.gz ILLSWUZHFAIQQM-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC000733365057 666860574 /nfs/dbraw/zinc/86/05/74/666860574.db2.gz WZPLQSKGHIYEMM-UHFFFAOYSA-N 2 2 350.507 0.782 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC000733365057 666860578 /nfs/dbraw/zinc/86/05/78/666860578.db2.gz WZPLQSKGHIYEMM-UHFFFAOYSA-N 2 2 350.507 0.782 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC000733365057 666860582 /nfs/dbraw/zinc/86/05/82/666860582.db2.gz WZPLQSKGHIYEMM-UHFFFAOYSA-N 2 2 350.507 0.782 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC000733365057 666860586 /nfs/dbraw/zinc/86/05/86/666860586.db2.gz WZPLQSKGHIYEMM-UHFFFAOYSA-N 2 2 350.507 0.782 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000751444620 667466474 /nfs/dbraw/zinc/46/64/74/667466474.db2.gz HBQOEBMQZWMYOO-KRWDZBQOSA-N 2 2 369.531 0.299 20 30 FCEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001674442 667498501 /nfs/dbraw/zinc/49/85/01/667498501.db2.gz PZGMOZIISLJKJY-MSOLQXFVSA-N 2 2 351.491 0.880 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089546 673425334 /nfs/dbraw/zinc/42/53/34/673425334.db2.gz SFJTUSXWZOLTRZ-FUHWJXTLSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089546 673425337 /nfs/dbraw/zinc/42/53/37/673425337.db2.gz SFJTUSXWZOLTRZ-FUHWJXTLSA-N 2 2 366.531 0.591 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001020603655 1168148432 /nfs/dbraw/zinc/14/84/32/1168148432.db2.gz KWHCMKUMPSMSGA-OXGONZEZSA-N 2 2 357.458 0.547 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691235545 1170876258 /nfs/dbraw/zinc/87/62/58/1170876258.db2.gz CBGBVSJWYUEWJG-ARFHVFGLSA-N 2 2 357.458 0.069 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001691287272 1171041899 /nfs/dbraw/zinc/04/18/99/1171041899.db2.gz QYCUAQLWUAECLK-ZHALLVOQSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001691287272 1171041910 /nfs/dbraw/zinc/04/19/10/1171041910.db2.gz QYCUAQLWUAECLK-ZHALLVOQSA-N 2 2 356.470 0.936 20 30 FCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001112522350 1181276603 /nfs/dbraw/zinc/27/66/03/1181276603.db2.gz SNGJABJGGLFPNL-IEZWGBDMSA-N 2 2 357.458 0.308 20 30 FCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001112522350 1181276607 /nfs/dbraw/zinc/27/66/07/1181276607.db2.gz SNGJABJGGLFPNL-IEZWGBDMSA-N 2 2 357.458 0.308 20 30 FCEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104776080 1182914772 /nfs/dbraw/zinc/91/47/72/1182914772.db2.gz WZVMTDWPGUWUAR-RRFJBIMHSA-N 2 2 360.462 0.302 20 30 FCEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104776080 1182914781 /nfs/dbraw/zinc/91/47/81/1182914781.db2.gz WZVMTDWPGUWUAR-RRFJBIMHSA-N 2 2 360.462 0.302 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368853 1187690063 /nfs/dbraw/zinc/69/00/63/1187690063.db2.gz YSPHSWKCRBWCHT-KURKYZTESA-N 2 2 358.442 0.344 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368853 1187690066 /nfs/dbraw/zinc/69/00/66/1187690066.db2.gz YSPHSWKCRBWCHT-KURKYZTESA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368853 1187690069 /nfs/dbraw/zinc/69/00/69/1187690069.db2.gz YSPHSWKCRBWCHT-KURKYZTESA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368853 1187690073 /nfs/dbraw/zinc/69/00/73/1187690073.db2.gz YSPHSWKCRBWCHT-KURKYZTESA-N 2 2 358.442 0.344 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1CC ZINC001087607323 1189656905 /nfs/dbraw/zinc/65/69/05/1189656905.db2.gz XYXZHOGZPFNIFI-OTWHNJEPSA-N 2 2 370.497 0.952 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)[C@@H]1CC ZINC001087607323 1189656910 /nfs/dbraw/zinc/65/69/10/1189656910.db2.gz XYXZHOGZPFNIFI-OTWHNJEPSA-N 2 2 370.497 0.952 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)[C@@H]1CC ZINC001087607323 1189656915 /nfs/dbraw/zinc/65/69/15/1189656915.db2.gz XYXZHOGZPFNIFI-OTWHNJEPSA-N 2 2 370.497 0.952 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)[C@@H]1CC ZINC001087607323 1189656919 /nfs/dbraw/zinc/65/69/19/1189656919.db2.gz XYXZHOGZPFNIFI-OTWHNJEPSA-N 2 2 370.497 0.952 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2CC)CC1 ZINC000984993353 1190412822 /nfs/dbraw/zinc/41/28/22/1190412822.db2.gz YDBKPNBGNXUCHU-ZWKOTPCHSA-N 2 2 371.485 0.724 20 30 FCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001276762687 1224128866 /nfs/dbraw/zinc/12/88/66/1224128866.db2.gz LUKHWXVWOQJRRU-MRXNPFEDSA-N 2 2 361.490 0.282 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691587055 1193744665 /nfs/dbraw/zinc/74/46/65/1193744665.db2.gz YHYHLDGMPHXIDD-MSOLQXFVSA-N 2 2 371.485 0.864 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691587055 1193744666 /nfs/dbraw/zinc/74/46/66/1193744666.db2.gz YHYHLDGMPHXIDD-MSOLQXFVSA-N 2 2 371.485 0.864 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@@H]1O ZINC001083535844 1194225949 /nfs/dbraw/zinc/22/59/49/1194225949.db2.gz PJBDFGFQXCTLOV-AABGKKOBSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@@H]1O ZINC001083535844 1194225953 /nfs/dbraw/zinc/22/59/53/1194225953.db2.gz PJBDFGFQXCTLOV-AABGKKOBSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@@H]1O ZINC001083535844 1194225957 /nfs/dbraw/zinc/22/59/57/1194225957.db2.gz PJBDFGFQXCTLOV-AABGKKOBSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@@H]1O ZINC001083535844 1194225961 /nfs/dbraw/zinc/22/59/61/1194225961.db2.gz PJBDFGFQXCTLOV-AABGKKOBSA-N 2 2 355.482 0.796 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227181 /nfs/dbraw/zinc/22/71/81/1194227181.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227183 /nfs/dbraw/zinc/22/71/83/1194227183.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227189 /nfs/dbraw/zinc/22/71/89/1194227189.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227194 /nfs/dbraw/zinc/22/71/94/1194227194.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 2 367.493 0.934 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129322851 1198026492 /nfs/dbraw/zinc/02/64/92/1198026492.db2.gz ZGGQUOQLFJBKRH-SJORKVTESA-N 2 2 355.446 0.628 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129322851 1198026504 /nfs/dbraw/zinc/02/65/04/1198026504.db2.gz ZGGQUOQLFJBKRH-SJORKVTESA-N 2 2 355.446 0.628 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219732363 1224583207 /nfs/dbraw/zinc/58/32/07/1224583207.db2.gz SRLXCDJSLDVZAX-KSZLIROESA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219732363 1224583210 /nfs/dbraw/zinc/58/32/10/1224583210.db2.gz SRLXCDJSLDVZAX-KSZLIROESA-N 2 2 362.449 0.899 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864687 1200573991 /nfs/dbraw/zinc/57/39/91/1200573991.db2.gz OXAPNHKHEKOOIS-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864687 1200573999 /nfs/dbraw/zinc/57/39/99/1200573999.db2.gz OXAPNHKHEKOOIS-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878172 1200586163 /nfs/dbraw/zinc/58/61/63/1200586163.db2.gz JZODTWLSENQYPM-MHORFTMASA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878172 1200586166 /nfs/dbraw/zinc/58/61/66/1200586166.db2.gz JZODTWLSENQYPM-MHORFTMASA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984604 1200677864 /nfs/dbraw/zinc/67/78/64/1200677864.db2.gz JEIFJSILUVYWOU-KMFMINBZSA-N 2 2 355.442 0.232 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984604 1200677879 /nfs/dbraw/zinc/67/78/79/1200677879.db2.gz JEIFJSILUVYWOU-KMFMINBZSA-N 2 2 355.442 0.232 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433715 1201314998 /nfs/dbraw/zinc/31/49/98/1201314998.db2.gz OBGCJUNXXOOWLE-ZACQAIPSSA-N 2 2 362.478 0.164 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433715 1201315001 /nfs/dbraw/zinc/31/50/01/1201315001.db2.gz OBGCJUNXXOOWLE-ZACQAIPSSA-N 2 2 362.478 0.164 20 30 FCEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484809 1201331288 /nfs/dbraw/zinc/33/12/88/1201331288.db2.gz JKUJBPYDDZLIGZ-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484809 1201331291 /nfs/dbraw/zinc/33/12/91/1201331291.db2.gz JKUJBPYDDZLIGZ-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484809 1201331295 /nfs/dbraw/zinc/33/12/95/1201331295.db2.gz JKUJBPYDDZLIGZ-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484809 1201331298 /nfs/dbraw/zinc/33/12/98/1201331298.db2.gz JKUJBPYDDZLIGZ-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902656 1201434851 /nfs/dbraw/zinc/43/48/51/1201434851.db2.gz XAWZGWSMDFVEIU-IKGGRYGDSA-N 2 2 355.446 0.737 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918898 1201440604 /nfs/dbraw/zinc/44/06/04/1201440604.db2.gz LJGSZQPFSYKZEB-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129919374 1201441660 /nfs/dbraw/zinc/44/16/60/1201441660.db2.gz VQODHPQBVJYPLE-XHSDSOJGSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130106891 1201501933 /nfs/dbraw/zinc/50/19/33/1201501933.db2.gz ABRGTTHSWKKLIV-CVEARBPZSA-N 2 2 359.434 0.096 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251511 1201569777 /nfs/dbraw/zinc/56/97/77/1201569777.db2.gz YNGMSMLFQFIZAH-GJZGRUSLSA-N 2 2 362.478 0.247 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251511 1201569779 /nfs/dbraw/zinc/56/97/79/1201569779.db2.gz YNGMSMLFQFIZAH-GJZGRUSLSA-N 2 2 362.478 0.247 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001130290594 1201578148 /nfs/dbraw/zinc/57/81/48/1201578148.db2.gz GQOUODHFFVKOJK-XLIONFOSSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001130290594 1201578152 /nfs/dbraw/zinc/57/81/52/1201578152.db2.gz GQOUODHFFVKOJK-XLIONFOSSA-N 2 2 371.485 0.841 20 30 FCEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001130292840 1201578770 /nfs/dbraw/zinc/57/87/70/1201578770.db2.gz DQGSJEZXWDABMU-APWZRJJASA-N 2 2 359.474 0.935 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001130307047 1201581980 /nfs/dbraw/zinc/58/19/80/1201581980.db2.gz GOJOAUPSIAEJDB-XLIONFOSSA-N 2 2 371.485 0.461 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130617178 1202737072 /nfs/dbraw/zinc/73/70/72/1202737072.db2.gz RILHIRYBKHFEBY-HHXXYDBFSA-N 2 2 366.469 0.787 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@H]3C)n2)O1 ZINC001130809408 1202802208 /nfs/dbraw/zinc/80/22/08/1202802208.db2.gz WWGSCJHIZKJWHF-QLFBSQMISA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@H]3C)n2)O1 ZINC001130809408 1202802209 /nfs/dbraw/zinc/80/22/09/1202802209.db2.gz WWGSCJHIZKJWHF-QLFBSQMISA-N 2 2 362.478 0.901 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130812058 1202804939 /nfs/dbraw/zinc/80/49/39/1202804939.db2.gz ZANUSHKOJYXBEN-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078683 1224748547 /nfs/dbraw/zinc/74/85/47/1224748547.db2.gz YLFIDOYJHWEVPP-XHSDSOJGSA-N 2 2 366.506 0.103 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078683 1224748554 /nfs/dbraw/zinc/74/85/54/1224748554.db2.gz YLFIDOYJHWEVPP-XHSDSOJGSA-N 2 2 366.506 0.103 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131020281 1202846562 /nfs/dbraw/zinc/84/65/62/1202846562.db2.gz PWZSKUUIBPLENZ-CGTJXYLNSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000808051961 1202872620 /nfs/dbraw/zinc/87/26/20/1202872620.db2.gz JPBKOQIORVAOEM-UHFFFAOYSA-N 2 2 354.458 0.991 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131320591 1202886797 /nfs/dbraw/zinc/88/67/97/1202886797.db2.gz ASPAPBZDTLQMGC-ZACQAIPSSA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131320591 1202886799 /nfs/dbraw/zinc/88/67/99/1202886799.db2.gz ASPAPBZDTLQMGC-ZACQAIPSSA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131320591 1202886800 /nfs/dbraw/zinc/88/68/00/1202886800.db2.gz ASPAPBZDTLQMGC-ZACQAIPSSA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131320591 1202886804 /nfs/dbraw/zinc/88/68/04/1202886804.db2.gz ASPAPBZDTLQMGC-ZACQAIPSSA-N 2 2 362.474 0.456 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000817843744 1203120016 /nfs/dbraw/zinc/12/00/16/1203120016.db2.gz HHFOUPLSYIPLFW-UHFFFAOYSA-N 2 2 370.497 0.769 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000817843744 1203120017 /nfs/dbraw/zinc/12/00/17/1203120017.db2.gz HHFOUPLSYIPLFW-UHFFFAOYSA-N 2 2 370.497 0.769 20 30 FCEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048793 1203148158 /nfs/dbraw/zinc/14/81/58/1203148158.db2.gz BSKUWRJCHBUNDD-OZNQOIHVSA-N 2 2 358.442 0.595 20 30 FCEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048793 1203148160 /nfs/dbraw/zinc/14/81/60/1203148160.db2.gz BSKUWRJCHBUNDD-OZNQOIHVSA-N 2 2 358.442 0.595 20 30 FCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000819061096 1203150101 /nfs/dbraw/zinc/15/01/01/1203150101.db2.gz SXORONRLWPLTSX-MRXNPFEDSA-N 2 2 372.473 0.011 20 30 FCEDLP C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220128387 1224781438 /nfs/dbraw/zinc/78/14/38/1224781438.db2.gz CBJMUALCWVJPIB-IRXDYDNUSA-N 2 2 356.426 0.747 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298511 1204826239 /nfs/dbraw/zinc/82/62/39/1204826239.db2.gz QCRYNVQZPXNDCK-HUUCEWRRSA-N 2 2 357.458 0.360 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298511 1204826240 /nfs/dbraw/zinc/82/62/40/1204826240.db2.gz QCRYNVQZPXNDCK-HUUCEWRRSA-N 2 2 357.458 0.360 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304590 1204826546 /nfs/dbraw/zinc/82/65/46/1204826546.db2.gz JEQYVXCYTGNCBI-BZUAXINKSA-N 2 2 371.485 0.749 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304590 1204826548 /nfs/dbraw/zinc/82/65/48/1204826548.db2.gz JEQYVXCYTGNCBI-BZUAXINKSA-N 2 2 371.485 0.749 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985003 1204879555 /nfs/dbraw/zinc/87/95/55/1204879555.db2.gz OYOKUKQZRYOWDA-FHLIZLRMSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011210 1204898047 /nfs/dbraw/zinc/89/80/47/1204898047.db2.gz KHWUVXSCRWEMTM-IPMKNSEASA-N 2 2 366.469 0.635 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1cncc(C#N)n1 ZINC001092314463 1205243851 /nfs/dbraw/zinc/24/38/51/1205243851.db2.gz JINRQWVLPMAATQ-HUUCEWRRSA-N 2 2 368.445 0.440 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccncc1C#N ZINC001092314937 1205245629 /nfs/dbraw/zinc/24/56/29/1205245629.db2.gz YTJZNBCLBCGTJE-NVXWUHKLSA-N 2 2 367.457 0.467 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC001093224470 1206063629 /nfs/dbraw/zinc/06/36/29/1206063629.db2.gz YAYMMYOSQNSMKK-NVXWUHKLSA-N 2 2 358.490 0.344 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC001093224470 1206063632 /nfs/dbraw/zinc/06/36/32/1206063632.db2.gz YAYMMYOSQNSMKK-NVXWUHKLSA-N 2 2 358.490 0.344 20 30 FCEDLP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749284 1206245702 /nfs/dbraw/zinc/24/57/02/1206245702.db2.gz OIAUHJKDEYHYDL-BFYDXBDKSA-N 2 2 364.490 0.073 20 30 FCEDLP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749284 1206245707 /nfs/dbraw/zinc/24/57/07/1206245707.db2.gz OIAUHJKDEYHYDL-BFYDXBDKSA-N 2 2 364.490 0.073 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971248 1207405007 /nfs/dbraw/zinc/40/50/07/1207405007.db2.gz GWSSXXMNJPXEGI-IXDOHACOSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971248 1207405010 /nfs/dbraw/zinc/40/50/10/1207405010.db2.gz GWSSXXMNJPXEGI-IXDOHACOSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456432 1207457465 /nfs/dbraw/zinc/45/74/65/1207457465.db2.gz NMKDAFPQCONDJN-UWWQBHOKSA-N 2 2 365.437 0.619 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456432 1207457466 /nfs/dbraw/zinc/45/74/66/1207457466.db2.gz NMKDAFPQCONDJN-UWWQBHOKSA-N 2 2 365.437 0.619 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456431 1207457680 /nfs/dbraw/zinc/45/76/80/1207457680.db2.gz NMKDAFPQCONDJN-QILLFSRXSA-N 2 2 365.437 0.619 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456431 1207457683 /nfs/dbraw/zinc/45/76/83/1207457683.db2.gz NMKDAFPQCONDJN-QILLFSRXSA-N 2 2 365.437 0.619 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188978980 1207496376 /nfs/dbraw/zinc/49/63/76/1207496376.db2.gz IMDJHENDXAVZTH-XYJFISCASA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188978980 1207496379 /nfs/dbraw/zinc/49/63/79/1207496379.db2.gz IMDJHENDXAVZTH-XYJFISCASA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999427 1207635128 /nfs/dbraw/zinc/63/51/28/1207635128.db2.gz SRBSHXKFJSYXDP-HLLBOEOZSA-N 2 2 359.474 0.576 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999427 1207635135 /nfs/dbraw/zinc/63/51/35/1207635135.db2.gz SRBSHXKFJSYXDP-HLLBOEOZSA-N 2 2 359.474 0.576 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192633138 1207841060 /nfs/dbraw/zinc/84/10/60/1207841060.db2.gz REWWYYZTMCFIGQ-IAGOWNOFSA-N 2 2 369.425 0.606 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192633138 1207841062 /nfs/dbraw/zinc/84/10/62/1207841062.db2.gz REWWYYZTMCFIGQ-IAGOWNOFSA-N 2 2 369.425 0.606 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185526 1208059942 /nfs/dbraw/zinc/05/99/42/1208059942.db2.gz XMOIXBSEEVUEAR-IAGOWNOFSA-N 2 2 364.446 0.248 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185526 1208059946 /nfs/dbraw/zinc/05/99/46/1208059946.db2.gz XMOIXBSEEVUEAR-IAGOWNOFSA-N 2 2 364.446 0.248 20 30 FCEDLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724921 1208191322 /nfs/dbraw/zinc/19/13/22/1208191322.db2.gz YKYKLADYEWEXMS-GUDVDZBRSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724921 1208191329 /nfs/dbraw/zinc/19/13/29/1208191329.db2.gz YKYKLADYEWEXMS-GUDVDZBRSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724921 1208191333 /nfs/dbraw/zinc/19/13/33/1208191333.db2.gz YKYKLADYEWEXMS-GUDVDZBRSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724921 1208191334 /nfs/dbraw/zinc/19/13/34/1208191334.db2.gz YKYKLADYEWEXMS-GUDVDZBRSA-N 2 2 359.470 0.491 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370559 1208344455 /nfs/dbraw/zinc/34/44/55/1208344455.db2.gz YEIQRQZYOISSDF-GVDBMIGSSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370559 1208344458 /nfs/dbraw/zinc/34/44/58/1208344458.db2.gz YEIQRQZYOISSDF-GVDBMIGSSA-N 2 2 366.506 0.105 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110658392 1209576240 /nfs/dbraw/zinc/57/62/40/1209576240.db2.gz URGWQDBBGRUHJA-VQHPVUNQSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110658392 1209576249 /nfs/dbraw/zinc/57/62/49/1209576249.db2.gz URGWQDBBGRUHJA-VQHPVUNQSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001110658392 1209576255 /nfs/dbraw/zinc/57/62/55/1209576255.db2.gz URGWQDBBGRUHJA-VQHPVUNQSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001110658392 1209576260 /nfs/dbraw/zinc/57/62/60/1209576260.db2.gz URGWQDBBGRUHJA-VQHPVUNQSA-N 2 2 361.490 0.326 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771460 1209815795 /nfs/dbraw/zinc/81/57/95/1209815795.db2.gz TYKREOHVKVMBJH-OIISXLGYSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771460 1209815798 /nfs/dbraw/zinc/81/57/98/1209815798.db2.gz TYKREOHVKVMBJH-OIISXLGYSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000886361689 1210828391 /nfs/dbraw/zinc/82/83/91/1210828391.db2.gz RLSVQGJXVIUHRT-OAHLLOKOSA-N 2 2 367.457 0.357 20 30 FCEDLP C#CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000886361689 1210828392 /nfs/dbraw/zinc/82/83/92/1210828392.db2.gz RLSVQGJXVIUHRT-OAHLLOKOSA-N 2 2 367.457 0.357 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1 ZINC001095556399 1211410893 /nfs/dbraw/zinc/41/08/93/1211410893.db2.gz PQOKODQLBSCMIB-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cnn(C)c1 ZINC001095556399 1211410896 /nfs/dbraw/zinc/41/08/96/1211410896.db2.gz PQOKODQLBSCMIB-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(C)c1 ZINC001095556399 1211410899 /nfs/dbraw/zinc/41/08/99/1211410899.db2.gz PQOKODQLBSCMIB-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(C)c1 ZINC001095556399 1211410902 /nfs/dbraw/zinc/41/09/02/1211410902.db2.gz PQOKODQLBSCMIB-XWSJACJDSA-N 2 2 355.486 0.782 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001111341407 1212734263 /nfs/dbraw/zinc/73/42/63/1212734263.db2.gz WKZKDJDGBCQPLB-BGTYHANMSA-N 2 2 371.485 0.861 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001111341407 1212734267 /nfs/dbraw/zinc/73/42/67/1212734267.db2.gz WKZKDJDGBCQPLB-BGTYHANMSA-N 2 2 371.485 0.861 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817040 1225490131 /nfs/dbraw/zinc/49/01/31/1225490131.db2.gz JKZMJAWCPVEWPO-BRWVUGGUSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817040 1225490135 /nfs/dbraw/zinc/49/01/35/1225490135.db2.gz JKZMJAWCPVEWPO-BRWVUGGUSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817040 1225490137 /nfs/dbraw/zinc/49/01/37/1225490137.db2.gz JKZMJAWCPVEWPO-BRWVUGGUSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817040 1225490139 /nfs/dbraw/zinc/49/01/39/1225490139.db2.gz JKZMJAWCPVEWPO-BRWVUGGUSA-N 2 2 362.518 0.942 20 30 FCEDLP CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000020558 1215996037 /nfs/dbraw/zinc/99/60/37/1215996037.db2.gz NNSHZDHGAHWXNT-BRWVUGGUSA-N 2 2 367.457 0.702 20 30 FCEDLP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000020558 1215996041 /nfs/dbraw/zinc/99/60/41/1215996041.db2.gz NNSHZDHGAHWXNT-BRWVUGGUSA-N 2 2 367.457 0.702 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222994034 1225671937 /nfs/dbraw/zinc/67/19/37/1225671937.db2.gz YFKRKUQVIWTVFJ-RYRKJORJSA-N 2 2 371.485 0.671 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222994034 1225671942 /nfs/dbraw/zinc/67/19/42/1225671942.db2.gz YFKRKUQVIWTVFJ-RYRKJORJSA-N 2 2 371.485 0.671 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992495 1225672213 /nfs/dbraw/zinc/67/22/13/1225672213.db2.gz GQTRZWIDYFZHCG-RYRKJORJSA-N 2 2 369.469 0.118 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992495 1225672215 /nfs/dbraw/zinc/67/22/15/1225672215.db2.gz GQTRZWIDYFZHCG-RYRKJORJSA-N 2 2 369.469 0.118 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927226 1216847841 /nfs/dbraw/zinc/84/78/41/1216847841.db2.gz PTTMQSPHEFAORP-UHOSZYNNSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927226 1216847844 /nfs/dbraw/zinc/84/78/44/1216847844.db2.gz PTTMQSPHEFAORP-UHOSZYNNSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927226 1216847845 /nfs/dbraw/zinc/84/78/45/1216847845.db2.gz PTTMQSPHEFAORP-UHOSZYNNSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927226 1216847848 /nfs/dbraw/zinc/84/78/48/1216847848.db2.gz PTTMQSPHEFAORP-UHOSZYNNSA-N 2 2 370.501 0.907 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](n2ccnn2)C1 ZINC001069965942 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1225706283 /nfs/dbraw/zinc/70/62/83/1225706283.db2.gz LZDCRSIUIQNIGB-NJAFHUGGSA-N 2 2 357.458 0.403 20 30 FCEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@@H]21 ZINC001223425099 1225706284 /nfs/dbraw/zinc/70/62/84/1225706284.db2.gz LZDCRSIUIQNIGB-NJAFHUGGSA-N 2 2 357.458 0.403 20 30 FCEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@@H]21 ZINC001223425099 1225706288 /nfs/dbraw/zinc/70/62/88/1225706288.db2.gz LZDCRSIUIQNIGB-NJAFHUGGSA-N 2 2 357.458 0.403 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386511 1218138820 /nfs/dbraw/zinc/13/88/20/1218138820.db2.gz XZAGYHVSWMQVCP-LMCOJAPRSA-N 2 2 355.482 0.882 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001047386511 1218138824 /nfs/dbraw/zinc/13/88/24/1218138824.db2.gz XZAGYHVSWMQVCP-LMCOJAPRSA-N 2 2 355.482 0.882 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C 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QYOYTUIDZMWGTH-VQIMIIECSA-N 2 2 372.469 0.875 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@@H]2C1 ZINC001232677879 1226162903 /nfs/dbraw/zinc/16/29/03/1226162903.db2.gz QYOYTUIDZMWGTH-VQIMIIECSA-N 2 2 372.469 0.875 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@@H]2C1 ZINC001232677879 1226162905 /nfs/dbraw/zinc/16/29/05/1226162905.db2.gz QYOYTUIDZMWGTH-VQIMIIECSA-N 2 2 372.469 0.875 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158256337 1223091509 /nfs/dbraw/zinc/09/15/09/1223091509.db2.gz GHRPTBDLYVAQPS-IXDOHACOSA-N 2 2 371.485 0.388 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487824 1223327622 /nfs/dbraw/zinc/32/76/22/1223327622.db2.gz OIJYSIMYPXJHFW-NUEKZKHPSA-N 2 2 357.458 0.479 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487824 1223327625 /nfs/dbraw/zinc/32/76/25/1223327625.db2.gz OIJYSIMYPXJHFW-NUEKZKHPSA-N 2 2 357.458 0.479 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207541107 1223453506 /nfs/dbraw/zinc/45/35/06/1223453506.db2.gz TUNIUJLLXRJZKQ-OIISXLGYSA-N 2 2 361.490 0.470 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207541107 1223453509 /nfs/dbraw/zinc/45/35/09/1223453509.db2.gz TUNIUJLLXRJZKQ-OIISXLGYSA-N 2 2 361.490 0.470 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001207541107 1223453510 /nfs/dbraw/zinc/45/35/10/1223453510.db2.gz TUNIUJLLXRJZKQ-OIISXLGYSA-N 2 2 361.490 0.470 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001207541107 1223453511 /nfs/dbraw/zinc/45/35/11/1223453511.db2.gz TUNIUJLLXRJZKQ-OIISXLGYSA-N 2 2 361.490 0.470 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422589 1223543043 /nfs/dbraw/zinc/54/30/43/1223543043.db2.gz RLIYHUSHLJRXRU-IIAWOOMASA-N 2 2 360.458 0.529 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422589 1223543051 /nfs/dbraw/zinc/54/30/51/1223543051.db2.gz RLIYHUSHLJRXRU-IIAWOOMASA-N 2 2 360.458 0.529 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768671 1223648910 /nfs/dbraw/zinc/64/89/10/1223648910.db2.gz CDSZBDSRRJXYKP-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768671 1223648911 /nfs/dbraw/zinc/64/89/11/1223648911.db2.gz CDSZBDSRRJXYKP-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244987 1223677284 /nfs/dbraw/zinc/67/72/84/1223677284.db2.gz WUTPZCZMWKYGKU-SZVBFZGTSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244987 1223677286 /nfs/dbraw/zinc/67/72/86/1223677286.db2.gz WUTPZCZMWKYGKU-SZVBFZGTSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244987 1223677290 /nfs/dbraw/zinc/67/72/90/1223677290.db2.gz WUTPZCZMWKYGKU-SZVBFZGTSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244987 1223677292 /nfs/dbraw/zinc/67/72/92/1223677292.db2.gz WUTPZCZMWKYGKU-SZVBFZGTSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244975 1223677547 /nfs/dbraw/zinc/67/75/47/1223677547.db2.gz WUTPZCZMWKYGKU-SUMDDJOVSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244975 1223677550 /nfs/dbraw/zinc/67/75/50/1223677550.db2.gz WUTPZCZMWKYGKU-SUMDDJOVSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244975 1223677551 /nfs/dbraw/zinc/67/75/51/1223677551.db2.gz WUTPZCZMWKYGKU-SUMDDJOVSA-N 2 2 371.485 0.756 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)c1ccccc1 ZINC001210244975 1223677554 /nfs/dbraw/zinc/67/75/54/1223677554.db2.gz WUTPZCZMWKYGKU-SUMDDJOVSA-N 2 2 371.485 0.756 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348567 1223789434 /nfs/dbraw/zinc/78/94/34/1223789434.db2.gz PDVXGQUKIMAZMA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348567 1223789438 /nfs/dbraw/zinc/78/94/38/1223789438.db2.gz PDVXGQUKIMAZMA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588323 1223818598 /nfs/dbraw/zinc/81/85/98/1223818598.db2.gz APXDQUNAXAFDNQ-IAGOWNOFSA-N 2 2 368.522 0.616 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588323 1223818600 /nfs/dbraw/zinc/81/86/00/1223818600.db2.gz APXDQUNAXAFDNQ-IAGOWNOFSA-N 2 2 368.522 0.616 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588323 1223818602 /nfs/dbraw/zinc/81/86/02/1223818602.db2.gz APXDQUNAXAFDNQ-IAGOWNOFSA-N 2 2 368.522 0.616 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588323 1223818603 /nfs/dbraw/zinc/81/86/03/1223818603.db2.gz APXDQUNAXAFDNQ-IAGOWNOFSA-N 2 2 368.522 0.616 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531347 1223919453 /nfs/dbraw/zinc/91/94/53/1223919453.db2.gz ZGFHSIDUQLNXGK-HUUCEWRRSA-N 2 2 360.462 0.541 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632680 1223928014 /nfs/dbraw/zinc/92/80/14/1223928014.db2.gz QSARADCXASEZSJ-CZUORRHYSA-N 2 2 353.426 0.442 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005694 1223963033 /nfs/dbraw/zinc/96/30/33/1223963033.db2.gz DXHBJNVTSQFOTQ-HACGYAERSA-N 2 2 357.458 0.009 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005694 1223963035 /nfs/dbraw/zinc/96/30/35/1223963035.db2.gz DXHBJNVTSQFOTQ-HACGYAERSA-N 2 2 357.458 0.009 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277713910 1226170109 /nfs/dbraw/zinc/17/01/09/1226170109.db2.gz YAYLVBKJJALNHV-KRWDZBQOSA-N 2 2 360.458 0.208 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993608428 1249799255 /nfs/dbraw/zinc/79/92/55/1249799255.db2.gz SOBSVMWDSUMFIU-GVDBMIGSSA-N 2 2 369.469 0.196 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993608428 1249799274 /nfs/dbraw/zinc/79/92/74/1249799274.db2.gz SOBSVMWDSUMFIU-GVDBMIGSSA-N 2 2 369.469 0.196 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1c[nH+]cn1C ZINC000993633195 1249884447 /nfs/dbraw/zinc/88/44/47/1249884447.db2.gz UASDNUGNAJOQDG-BPLDGKMQSA-N 2 2 369.429 0.196 20 30 FCEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000997234812 1251512786 /nfs/dbraw/zinc/51/27/86/1251512786.db2.gz HBNKCVCDVCNSIV-QRQLOZEOSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000997691135 1251670263 /nfs/dbraw/zinc/67/02/63/1251670263.db2.gz HBNKCVCDVCNSIV-UHOSZYNNSA-N 2 2 363.502 0.716 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001078013236 1255168457 /nfs/dbraw/zinc/16/84/57/1255168457.db2.gz XXAQYORMEKFXRG-IAGOWNOFSA-N 2 2 358.417 0.454 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001078013236 1255168461 /nfs/dbraw/zinc/16/84/61/1255168461.db2.gz XXAQYORMEKFXRG-IAGOWNOFSA-N 2 2 358.417 0.454 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183534 1258704011 /nfs/dbraw/zinc/70/40/11/1258704011.db2.gz KSSBBMWRXPDEEN-RYRKJORJSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183534 1258704015 /nfs/dbraw/zinc/70/40/15/1258704015.db2.gz KSSBBMWRXPDEEN-RYRKJORJSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655923 1258933878 /nfs/dbraw/zinc/93/38/78/1258933878.db2.gz ISJQZZFKRSIASO-RBSFLKMASA-N 2 2 359.474 0.816 20 30 FCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011698 1259017142 /nfs/dbraw/zinc/01/71/42/1259017142.db2.gz OBHKUGSIWRVVQL-BHIYHBOVSA-N 2 2 363.502 0.431 20 30 FCEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001128004709 1259190021 /nfs/dbraw/zinc/19/00/21/1259190021.db2.gz DENFGGBQMMEPTE-HRCADAONSA-N 2 2 358.490 0.552 20 30 FCEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001128004709 1259190028 /nfs/dbraw/zinc/19/00/28/1259190028.db2.gz DENFGGBQMMEPTE-HRCADAONSA-N 2 2 358.490 0.552 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234393432 1259559412 /nfs/dbraw/zinc/55/94/12/1259559412.db2.gz ZXVACRJSXCNSLS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234393432 1259559417 /nfs/dbraw/zinc/55/94/17/1259559417.db2.gz ZXVACRJSXCNSLS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234393432 1259559422 /nfs/dbraw/zinc/55/94/22/1259559422.db2.gz ZXVACRJSXCNSLS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234393432 1259559429 /nfs/dbraw/zinc/55/94/29/1259559429.db2.gz ZXVACRJSXCNSLS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccnc(C#N)c3)CC2)C1=O ZINC001237463875 1259599225 /nfs/dbraw/zinc/59/92/25/1259599225.db2.gz NJKZENGDHJDMEJ-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccnc(C#N)c3)CC2)C1=O ZINC001237463875 1259599231 /nfs/dbraw/zinc/59/92/31/1259599231.db2.gz NJKZENGDHJDMEJ-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001320271511 1263779322 /nfs/dbraw/zinc/77/93/22/1263779322.db2.gz CZOQZFWYKNSUBX-BRWVUGGUSA-N 2 2 353.426 0.662 20 30 FCEDLP C#CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326531363 1265127205 /nfs/dbraw/zinc/12/72/05/1265127205.db2.gz LAGOCQJIRPSMMX-SFHVURJKSA-N 2 2 360.502 0.485 20 30 FCEDLP C#CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326531363 1265127209 /nfs/dbraw/zinc/12/72/09/1265127209.db2.gz LAGOCQJIRPSMMX-SFHVURJKSA-N 2 2 360.502 0.485 20 30 FCEDLP C=CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001343410038 1269901315 /nfs/dbraw/zinc/90/13/15/1269901315.db2.gz UDFCWNBWBAOQBF-INIZCTEOSA-N 2 2 359.474 0.920 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CCC(C)(C)O)CC1 ZINC001574706862 1271496753 /nfs/dbraw/zinc/49/67/53/1271496753.db2.gz IUBOUNLJPMRZOQ-MRXNPFEDSA-N 2 2 360.506 0.661 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001574706607 1271497344 /nfs/dbraw/zinc/49/73/44/1271497344.db2.gz GMBAGJRPRSTLKM-UHFFFAOYSA-N 3 2 373.549 0.841 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001574706607 1271497352 /nfs/dbraw/zinc/49/73/52/1271497352.db2.gz GMBAGJRPRSTLKM-UHFFFAOYSA-N 3 2 373.549 0.841 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC001574707758 1271498382 /nfs/dbraw/zinc/49/83/82/1271498382.db2.gz YWBBOKDCWRONHK-SFHVURJKSA-N 2 2 356.470 0.750 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC001574707758 1271498387 /nfs/dbraw/zinc/49/83/87/1271498387.db2.gz YWBBOKDCWRONHK-SFHVURJKSA-N 2 2 356.470 0.750 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001574967145 1271686622 /nfs/dbraw/zinc/68/66/22/1271686622.db2.gz MYSCCWSWTSBFHU-DOTOQJQBSA-N 2 2 358.490 0.724 20 30 FCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001690078374 1294856257 /nfs/dbraw/zinc/85/62/57/1294856257.db2.gz REPXGIYEJPZDQJ-UXHICEINSA-N 2 2 354.498 0.699 20 30 FCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001690078374 1294856263 /nfs/dbraw/zinc/85/62/63/1294856263.db2.gz REPXGIYEJPZDQJ-UXHICEINSA-N 2 2 354.498 0.699 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690899855 1294890451 /nfs/dbraw/zinc/89/04/51/1294890451.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690899855 1294890464 /nfs/dbraw/zinc/89/04/64/1294890464.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 2 2 357.458 0.623 20 30 FCEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086764798 842169198 /nfs/dbraw/zinc/16/91/98/842169198.db2.gz IFFQWCQYIDQKKI-MLHJIOFPSA-N 2 2 351.491 0.927 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616294 845930319 /nfs/dbraw/zinc/93/03/19/845930319.db2.gz BHXBCVQSVCNSAF-QXSJWSMHSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616294 845930322 /nfs/dbraw/zinc/93/03/22/845930322.db2.gz BHXBCVQSVCNSAF-QXSJWSMHSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028031 846018530 /nfs/dbraw/zinc/01/85/30/846018530.db2.gz DZAUUJHVXAIIPF-OAGGEKHMSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028031 846018537 /nfs/dbraw/zinc/01/85/37/846018537.db2.gz DZAUUJHVXAIIPF-OAGGEKHMSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028031 846018542 /nfs/dbraw/zinc/01/85/42/846018542.db2.gz DZAUUJHVXAIIPF-OAGGEKHMSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028031 846018551 /nfs/dbraw/zinc/01/85/51/846018551.db2.gz DZAUUJHVXAIIPF-OAGGEKHMSA-N 2 2 350.507 0.988 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131003668 849069667 /nfs/dbraw/zinc/06/96/67/849069667.db2.gz NUALDWRQRIRMSK-RBSFLKMASA-N 2 2 350.442 0.508 20 30 FCEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836727 862124460 /nfs/dbraw/zinc/12/44/60/862124460.db2.gz QHDGHYKHADBQMY-FUHWJXTLSA-N 2 2 352.479 0.296 20 30 FCEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836727 862124462 /nfs/dbraw/zinc/12/44/62/862124462.db2.gz QHDGHYKHADBQMY-FUHWJXTLSA-N 2 2 352.479 0.296 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232101 853792829 /nfs/dbraw/zinc/79/28/29/853792829.db2.gz QAPQBYCKSMOUDS-UKRRQHHQSA-N 2 2 362.499 0.609 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232101 853792832 /nfs/dbraw/zinc/79/28/32/853792832.db2.gz QAPQBYCKSMOUDS-UKRRQHHQSA-N 2 2 362.499 0.609 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142202 854000476 /nfs/dbraw/zinc/00/04/76/854000476.db2.gz IUQZYIBYTWYJTK-BRWVUGGUSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142202 854000484 /nfs/dbraw/zinc/00/04/84/854000484.db2.gz IUQZYIBYTWYJTK-BRWVUGGUSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142202 854000490 /nfs/dbraw/zinc/00/04/90/854000490.db2.gz IUQZYIBYTWYJTK-BRWVUGGUSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142202 854000496 /nfs/dbraw/zinc/00/04/96/854000496.db2.gz IUQZYIBYTWYJTK-BRWVUGGUSA-N 2 2 350.507 0.988 20 30 FCEDLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001209562642 854038775 /nfs/dbraw/zinc/03/87/75/854038775.db2.gz TYFQGQGSNUZPBR-HZPDHXFCSA-N 2 2 351.495 0.575 20 30 FCEDLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001209562642 854038783 /nfs/dbraw/zinc/03/87/83/854038783.db2.gz TYFQGQGSNUZPBR-HZPDHXFCSA-N 2 2 351.495 0.575 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209562642 854038787 /nfs/dbraw/zinc/03/87/87/854038787.db2.gz TYFQGQGSNUZPBR-HZPDHXFCSA-N 2 2 351.495 0.575 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209562642 854038793 /nfs/dbraw/zinc/03/87/93/854038793.db2.gz TYFQGQGSNUZPBR-HZPDHXFCSA-N 2 2 351.495 0.575 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209706182 854048118 /nfs/dbraw/zinc/04/81/18/854048118.db2.gz WCRLRDQLLRSMCX-IXDOHACOSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209706182 854048125 /nfs/dbraw/zinc/04/81/25/854048125.db2.gz WCRLRDQLLRSMCX-IXDOHACOSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483792 854497202 /nfs/dbraw/zinc/49/72/02/854497202.db2.gz SYTDHOJUBLHLHH-RBSFLKMASA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483792 854497203 /nfs/dbraw/zinc/49/72/03/854497203.db2.gz SYTDHOJUBLHLHH-RBSFLKMASA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483792 854497204 /nfs/dbraw/zinc/49/72/04/854497204.db2.gz SYTDHOJUBLHLHH-RBSFLKMASA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483792 854497205 /nfs/dbraw/zinc/49/72/05/854497205.db2.gz SYTDHOJUBLHLHH-RBSFLKMASA-N 2 2 354.495 0.223 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835086 857755772 /nfs/dbraw/zinc/75/57/72/857755772.db2.gz FLBNFZZXFYGPOY-AEFFLSMTSA-N 2 2 352.475 0.737 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835086 857755777 /nfs/dbraw/zinc/75/57/77/857755777.db2.gz FLBNFZZXFYGPOY-AEFFLSMTSA-N 2 2 352.475 0.737 20 30 FCEDLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419952320 246385344 /nfs/dbraw/zinc/38/53/44/246385344.db2.gz KEWXUWDCJUZJJM-GOSISDBHSA-N 2 2 371.485 0.692 20 30 FCEDLP C=CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435692900 248009491 /nfs/dbraw/zinc/00/94/91/248009491.db2.gz RMEVXAHKBVFOLP-HNNXBMFYSA-N 2 2 374.489 0.859 20 30 FCEDLP CN(C(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000262234998 229299149 /nfs/dbraw/zinc/29/91/49/229299149.db2.gz MWWLAFIUDUQBIZ-UHFFFAOYSA-N 2 2 365.503 0.532 20 30 FCEDLP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000262208350 229299329 /nfs/dbraw/zinc/29/93/29/229299329.db2.gz JIGSDUFRKZGACJ-UHFFFAOYSA-N 2 2 368.485 0.872 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000303068324 488892978 /nfs/dbraw/zinc/89/29/78/488892978.db2.gz ZJJKFFVGNGRNRH-UHFFFAOYSA-N 2 2 360.502 0.488 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000328969835 488957016 /nfs/dbraw/zinc/95/70/16/488957016.db2.gz AYEOFVKSNLYSNV-HUUCEWRRSA-N 2 2 352.479 0.606 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000057171129 488267414 /nfs/dbraw/zinc/26/74/14/488267414.db2.gz XQFHGBQSBWSXAE-SFHVURJKSA-N 2 2 351.516 0.656 20 30 FCEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000264348221 488666271 /nfs/dbraw/zinc/66/62/71/488666271.db2.gz BTOPZABBRGACOZ-LJQANCHMSA-N 2 2 355.486 0.886 20 30 FCEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000264348221 488666275 /nfs/dbraw/zinc/66/62/75/488666275.db2.gz BTOPZABBRGACOZ-LJQANCHMSA-N 2 2 355.486 0.886 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)CC2)o1 ZINC000152370016 488717229 /nfs/dbraw/zinc/71/72/29/488717229.db2.gz DQDHMHSDYZJNLJ-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)CC2)o1 ZINC000152370016 488717231 /nfs/dbraw/zinc/71/72/31/488717231.db2.gz DQDHMHSDYZJNLJ-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000152370016 488717233 /nfs/dbraw/zinc/71/72/33/488717233.db2.gz DQDHMHSDYZJNLJ-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000152370016 488717235 /nfs/dbraw/zinc/71/72/35/488717235.db2.gz DQDHMHSDYZJNLJ-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329293211 488990535 /nfs/dbraw/zinc/99/05/35/488990535.db2.gz NVRYUOYLUKOSJA-GVDBMIGSSA-N 2 2 364.490 0.750 20 30 FCEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329293211 488990537 /nfs/dbraw/zinc/99/05/37/488990537.db2.gz NVRYUOYLUKOSJA-GVDBMIGSSA-N 2 2 364.490 0.750 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000364752781 488997166 /nfs/dbraw/zinc/99/71/66/488997166.db2.gz CNDZWMZCVJNIFJ-INIZCTEOSA-N 2 2 355.442 0.781 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000364752781 488997169 /nfs/dbraw/zinc/99/71/69/488997169.db2.gz CNDZWMZCVJNIFJ-INIZCTEOSA-N 2 2 355.442 0.781 20 30 FCEDLP CN1CC[C@@H]([NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)C1=O ZINC000329418827 489002792 /nfs/dbraw/zinc/00/27/92/489002792.db2.gz GUYJDDRUHILPOY-OAHLLOKOSA-N 2 2 352.479 0.749 20 30 FCEDLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000329796314 489036457 /nfs/dbraw/zinc/03/64/57/489036457.db2.gz DRJTWHFIXYDUOC-KGLIPLIRSA-N 2 2 372.477 0.882 20 30 FCEDLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000329796314 489036458 /nfs/dbraw/zinc/03/64/58/489036458.db2.gz DRJTWHFIXYDUOC-KGLIPLIRSA-N 2 2 372.477 0.882 20 30 FCEDLP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000329832580 489040679 /nfs/dbraw/zinc/04/06/79/489040679.db2.gz KKSCFSWJMZFEIZ-KRWDZBQOSA-N 2 2 367.538 0.581 20 30 FCEDLP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000329832580 489040683 /nfs/dbraw/zinc/04/06/83/489040683.db2.gz KKSCFSWJMZFEIZ-KRWDZBQOSA-N 2 2 367.538 0.581 20 30 FCEDLP CCN1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329961600 489055379 /nfs/dbraw/zinc/05/53/79/489055379.db2.gz OSDMPLNMKFACIK-HOTGVXAUSA-N 2 2 364.494 0.971 20 30 FCEDLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329979958 489057064 /nfs/dbraw/zinc/05/70/64/489057064.db2.gz KKHIKTDNQMNNDF-CVEARBPZSA-N 2 2 367.494 0.746 20 30 FCEDLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329979958 489057066 /nfs/dbraw/zinc/05/70/66/489057066.db2.gz KKHIKTDNQMNNDF-CVEARBPZSA-N 2 2 367.494 0.746 20 30 FCEDLP C=CCN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281245862 489062277 /nfs/dbraw/zinc/06/22/77/489062277.db2.gz GMQQZMOZGJOBKW-KRWDZBQOSA-N 2 2 371.485 0.839 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281245862 489062279 /nfs/dbraw/zinc/06/22/79/489062279.db2.gz GMQQZMOZGJOBKW-KRWDZBQOSA-N 2 2 371.485 0.839 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330035097 489062945 /nfs/dbraw/zinc/06/29/45/489062945.db2.gz XAVIZFVEKCOOCP-SJORKVTESA-N 2 2 362.478 0.977 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330035097 489062947 /nfs/dbraw/zinc/06/29/47/489062947.db2.gz XAVIZFVEKCOOCP-SJORKVTESA-N 2 2 362.478 0.977 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330246046 489084297 /nfs/dbraw/zinc/08/42/97/489084297.db2.gz DZRBOXSHIVEIRX-LSDHHAIUSA-N 2 2 360.462 0.350 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330246046 489084301 /nfs/dbraw/zinc/08/43/01/489084301.db2.gz DZRBOXSHIVEIRX-LSDHHAIUSA-N 2 2 360.462 0.350 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC000330494217 489108970 /nfs/dbraw/zinc/10/89/70/489108970.db2.gz UQTNLORILYOMGB-CQSZACIVSA-N 2 2 354.499 0.721 20 30 FCEDLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000331231492 489188275 /nfs/dbraw/zinc/18/82/75/489188275.db2.gz IFINUIGWGWJRDN-VNHYZAJKSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000331231492 489188278 /nfs/dbraw/zinc/18/82/78/489188278.db2.gz IFINUIGWGWJRDN-VNHYZAJKSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000331231492 489188281 /nfs/dbraw/zinc/18/82/81/489188281.db2.gz IFINUIGWGWJRDN-VNHYZAJKSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000331231492 489188283 /nfs/dbraw/zinc/18/82/83/489188283.db2.gz IFINUIGWGWJRDN-VNHYZAJKSA-N 2 2 350.467 0.783 20 30 FCEDLP C#CCNc1nc(NC2CC[NH+](C)CC2)nc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000286128981 489359433 /nfs/dbraw/zinc/35/94/33/489359433.db2.gz MUXVXOFOFVDYEQ-UHFFFAOYSA-N 3 2 358.494 0.929 20 30 FCEDLP C#CCNc1nc(NC2CC[NH+](C)CC2)[nH+]c(NC2CC[NH+](C)CC2)n1 ZINC000286128981 489359437 /nfs/dbraw/zinc/35/94/37/489359437.db2.gz MUXVXOFOFVDYEQ-UHFFFAOYSA-N 3 2 358.494 0.929 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000299011752 489394598 /nfs/dbraw/zinc/39/45/98/489394598.db2.gz CZGAFAHXMFDMBX-MRXNPFEDSA-N 2 2 356.474 0.628 20 30 FCEDLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286589119 489407263 /nfs/dbraw/zinc/40/72/63/489407263.db2.gz VVHDFNLWDWOBPO-MRXNPFEDSA-N 2 2 371.485 0.659 20 30 FCEDLP N#CCC(=O)N1CC[NH+](CCCCC[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000570643072 491255118 /nfs/dbraw/zinc/25/51/18/491255118.db2.gz LHUDPPIWJMFFEU-UHFFFAOYSA-N 2 2 374.489 0.272 20 30 FCEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374999602 489709976 /nfs/dbraw/zinc/70/99/76/489709976.db2.gz RJGUSZIFRBFSEL-KRWDZBQOSA-N 2 2 352.479 0.200 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423033009 490524869 /nfs/dbraw/zinc/52/48/69/490524869.db2.gz GAXKMIXBIPGEKH-MRXNPFEDSA-N 2 2 369.469 0.413 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423033009 490524874 /nfs/dbraw/zinc/52/48/74/490524874.db2.gz GAXKMIXBIPGEKH-MRXNPFEDSA-N 2 2 369.469 0.413 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528409083 490795440 /nfs/dbraw/zinc/79/54/40/490795440.db2.gz WSFSSVHGWGRLCS-MSOLQXFVSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528409083 490795442 /nfs/dbraw/zinc/79/54/42/490795442.db2.gz WSFSSVHGWGRLCS-MSOLQXFVSA-N 2 2 372.469 0.536 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494616 491448385 /nfs/dbraw/zinc/44/83/85/491448385.db2.gz BBFRTJUGTUAXRG-LZWOXQAQSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494616 491448387 /nfs/dbraw/zinc/44/83/87/491448387.db2.gz BBFRTJUGTUAXRG-LZWOXQAQSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000561414828 491605532 /nfs/dbraw/zinc/60/55/32/491605532.db2.gz OTLRBXSCVUYTCU-UHFFFAOYSA-N 2 2 359.474 0.944 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000591420992 491805452 /nfs/dbraw/zinc/80/54/52/491805452.db2.gz KYEQNRXOEUKMKY-UHFFFAOYSA-N 2 2 355.442 0.071 20 30 FCEDLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601580733 491936306 /nfs/dbraw/zinc/93/63/06/491936306.db2.gz AJVHKWRTUFRIBC-WMLDXEAASA-N 2 2 355.442 0.151 20 30 FCEDLP CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861988 492002130 /nfs/dbraw/zinc/00/21/30/492002130.db2.gz XCPWHVINDVFLFM-GOSISDBHSA-N 2 2 362.522 0.784 20 30 FCEDLP CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861988 492002133 /nfs/dbraw/zinc/00/21/33/492002133.db2.gz XCPWHVINDVFLFM-GOSISDBHSA-N 2 2 362.522 0.784 20 30 FCEDLP C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597263841 492025592 /nfs/dbraw/zinc/02/55/92/492025592.db2.gz CNFCVEQPGAYVNF-HNNXBMFYSA-N 2 2 368.547 0.697 20 30 FCEDLP C=CCCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597263841 492025595 /nfs/dbraw/zinc/02/55/95/492025595.db2.gz CNFCVEQPGAYVNF-HNNXBMFYSA-N 2 2 368.547 0.697 20 30 FCEDLP C[C@H](CC(=O)NCC#CCNC(=O)C[C@@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000651698954 492808742 /nfs/dbraw/zinc/80/87/42/492808742.db2.gz BROKHJNMZGHMDR-HZPDHXFCSA-N 2 2 356.430 0.918 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000632254009 492957251 /nfs/dbraw/zinc/95/72/51/492957251.db2.gz HOQICOZHRUGLLL-IRXDYDNUSA-N 2 2 359.536 0.935 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000632254009 492957254 /nfs/dbraw/zinc/95/72/54/492957254.db2.gz HOQICOZHRUGLLL-IRXDYDNUSA-N 2 2 359.536 0.935 20 30 FCEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCO[C@H](COC)C1 ZINC000261952980 526348963 /nfs/dbraw/zinc/34/89/63/526348963.db2.gz OENWNKFUYAQVPE-XHSDSOJGSA-N 2 2 356.511 0.797 20 30 FCEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCO[C@H](COC)C1 ZINC000261952980 526348968 /nfs/dbraw/zinc/34/89/68/526348968.db2.gz OENWNKFUYAQVPE-XHSDSOJGSA-N 2 2 356.511 0.797 20 30 FCEDLP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262443527 528979244 /nfs/dbraw/zinc/97/92/44/528979244.db2.gz UYOAQZJVCKBIJS-HOTGVXAUSA-N 2 2 354.520 0.723 20 30 FCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000329479410 546555982 /nfs/dbraw/zinc/55/59/82/546555982.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000329479410 546555988 /nfs/dbraw/zinc/55/59/88/546555988.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000329479410 546555992 /nfs/dbraw/zinc/55/59/92/546555992.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000329479410 546555997 /nfs/dbraw/zinc/55/59/97/546555997.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C[C@H](C)O1 ZINC000329479410 546556004 /nfs/dbraw/zinc/55/60/04/546556004.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C[C@H](C)O1 ZINC000329479410 546556009 /nfs/dbraw/zinc/55/60/09/546556009.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C[C@H](C)O1 ZINC000329479410 546556013 /nfs/dbraw/zinc/55/60/13/546556013.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C[C@H](C)O1 ZINC000329479410 546556019 /nfs/dbraw/zinc/55/60/19/546556019.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 2 2 355.527 0.624 20 30 FCEDLP C[NH+]1CCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000591739232 546939229 /nfs/dbraw/zinc/93/92/29/546939229.db2.gz BVWHVDKGILUOSX-UHFFFAOYSA-N 2 2 364.515 0.948 20 30 FCEDLP CCNC(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)=[NH+]CC ZINC000303261603 674566777 /nfs/dbraw/zinc/56/67/77/674566777.db2.gz ONXAXOBHCKYSPF-UHFFFAOYSA-N 2 2 368.507 0.108 20 30 FCEDLP CCCCNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303889748 674573020 /nfs/dbraw/zinc/57/30/20/674573020.db2.gz MBVFAAFLOMRJNO-UHFFFAOYSA-N 2 2 368.507 0.238 20 30 FCEDLP C=C(C)CNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303910045 674573047 /nfs/dbraw/zinc/57/30/47/674573047.db2.gz YOIDRUDGBSWXIO-UHFFFAOYSA-N 2 2 366.491 0.014 20 30 FCEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985547543 665174471 /nfs/dbraw/zinc/17/44/71/665174471.db2.gz GMOOAODPXDMVTC-MSOLQXFVSA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985547543 665174472 /nfs/dbraw/zinc/17/44/72/665174472.db2.gz GMOOAODPXDMVTC-MSOLQXFVSA-N 2 2 351.491 0.975 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000913519544 666532301 /nfs/dbraw/zinc/53/23/01/666532301.db2.gz DYPIUYFBRWGBHY-UHFFFAOYSA-N 2 2 352.479 0.657 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996078050 666900362 /nfs/dbraw/zinc/90/03/62/666900362.db2.gz IQRJIXCHNZSFEG-IXDOHACOSA-N 2 2 351.491 0.879 20 30 FCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489084 673832299 /nfs/dbraw/zinc/83/22/99/673832299.db2.gz DBXMXDVCBJRLHA-CQSZACIVSA-N 2 2 351.472 0.551 20 30 FCEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489084 673832302 /nfs/dbraw/zinc/83/23/02/673832302.db2.gz DBXMXDVCBJRLHA-CQSZACIVSA-N 2 2 351.472 0.551 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001691240208 1170879736 /nfs/dbraw/zinc/87/97/36/1170879736.db2.gz VXERBDBEULYHTA-HRCADAONSA-N 2 2 359.474 0.365 20 30 FCEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001112522209 1181268666 /nfs/dbraw/zinc/26/86/66/1181268666.db2.gz KVWJQDRDJGFTJS-IEZWGBDMSA-N 2 2 359.474 0.861 20 30 FCEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001112522209 1181268669 /nfs/dbraw/zinc/26/86/69/1181268669.db2.gz KVWJQDRDJGFTJS-IEZWGBDMSA-N 2 2 359.474 0.861 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001691485169 1181530646 /nfs/dbraw/zinc/53/06/46/1181530646.db2.gz AXTRQWSKWKXNIJ-HYVNUMGLSA-N 2 2 357.458 0.164 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001691485169 1181530654 /nfs/dbraw/zinc/53/06/54/1181530654.db2.gz AXTRQWSKWKXNIJ-HYVNUMGLSA-N 2 2 357.458 0.164 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054948 1182876204 /nfs/dbraw/zinc/87/62/04/1182876204.db2.gz OFOUZJSDPYCBAC-UDOHHAEJSA-N 2 2 369.469 0.357 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054948 1182876205 /nfs/dbraw/zinc/87/62/05/1182876205.db2.gz OFOUZJSDPYCBAC-UDOHHAEJSA-N 2 2 369.469 0.357 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054947 1182876403 /nfs/dbraw/zinc/87/64/03/1182876403.db2.gz OFOUZJSDPYCBAC-DBDULZNHSA-N 2 2 369.469 0.357 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054947 1182876404 /nfs/dbraw/zinc/87/64/04/1182876404.db2.gz OFOUZJSDPYCBAC-DBDULZNHSA-N 2 2 369.469 0.357 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955314 1183018469 /nfs/dbraw/zinc/01/84/69/1183018469.db2.gz SKIHRFIJNHGCKL-VNQPRFMTSA-N 2 2 359.474 0.473 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494341 1183158491 /nfs/dbraw/zinc/15/84/91/1183158491.db2.gz KPKPNJKHNAGOIJ-ZACQAIPSSA-N 2 2 361.490 0.614 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494341 1183158496 /nfs/dbraw/zinc/15/84/96/1183158496.db2.gz KPKPNJKHNAGOIJ-ZACQAIPSSA-N 2 2 361.490 0.614 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000981544726 1186432675 /nfs/dbraw/zinc/43/26/75/1186432675.db2.gz QFMNZWVYXGRRGX-DOTOQJQBSA-N 2 2 371.485 0.699 20 30 FCEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049591 1190308402 /nfs/dbraw/zinc/30/84/02/1190308402.db2.gz OTHWBWJGFPKEFW-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049591 1190308410 /nfs/dbraw/zinc/30/84/10/1190308410.db2.gz OTHWBWJGFPKEFW-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2CC)CC1 ZINC000984987955 1190396838 /nfs/dbraw/zinc/39/68/38/1190396838.db2.gz ARAHYICPOCPCOD-DLBZAZTESA-N 2 2 371.485 0.793 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218088136 1224139980 /nfs/dbraw/zinc/13/99/80/1224139980.db2.gz XBTAHADRMJBPQR-CEXWTWQISA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218088136 1224139985 /nfs/dbraw/zinc/13/99/85/1224139985.db2.gz XBTAHADRMJBPQR-CEXWTWQISA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218088136 1224139987 /nfs/dbraw/zinc/13/99/87/1224139987.db2.gz XBTAHADRMJBPQR-CEXWTWQISA-N 2 2 363.502 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218088136 1224139989 /nfs/dbraw/zinc/13/99/89/1224139989.db2.gz XBTAHADRMJBPQR-CEXWTWQISA-N 2 2 363.502 0.526 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)CC1 ZINC000990432193 1193851878 /nfs/dbraw/zinc/85/18/78/1193851878.db2.gz AKQRGADWQWFIDG-PBHICJAKSA-N 2 2 357.458 0.403 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000553327316 1193988960 /nfs/dbraw/zinc/98/89/60/1193988960.db2.gz UJWSKMCTMDRISI-UHFFFAOYSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000553327316 1193988965 /nfs/dbraw/zinc/98/89/65/1193988965.db2.gz UJWSKMCTMDRISI-UHFFFAOYSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077780 1194291167 /nfs/dbraw/zinc/29/11/67/1194291167.db2.gz AHDGDDHCJXVLBB-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077780 1194291171 /nfs/dbraw/zinc/29/11/71/1194291171.db2.gz AHDGDDHCJXVLBB-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1O ZINC001077158828 1195281167 /nfs/dbraw/zinc/28/11/67/1195281167.db2.gz AIVBDLGWVJYVTA-HSALFYBXSA-N 2 2 355.482 0.878 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1O ZINC001077158828 1195281172 /nfs/dbraw/zinc/28/11/72/1195281172.db2.gz AIVBDLGWVJYVTA-HSALFYBXSA-N 2 2 355.482 0.878 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1O ZINC001077158828 1195281178 /nfs/dbraw/zinc/28/11/78/1195281178.db2.gz AIVBDLGWVJYVTA-HSALFYBXSA-N 2 2 355.482 0.878 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1O ZINC001077158828 1195281183 /nfs/dbraw/zinc/28/11/83/1195281183.db2.gz AIVBDLGWVJYVTA-HSALFYBXSA-N 2 2 355.482 0.878 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000594300855 1196884789 /nfs/dbraw/zinc/88/47/89/1196884789.db2.gz KCPZRCHQTZFSRJ-OAHLLOKOSA-N 2 2 370.457 0.485 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000594300855 1196884791 /nfs/dbraw/zinc/88/47/91/1196884791.db2.gz KCPZRCHQTZFSRJ-OAHLLOKOSA-N 2 2 370.457 0.485 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)CC1 ZINC000734271727 1197743241 /nfs/dbraw/zinc/74/32/41/1197743241.db2.gz LUEAYTBDSRVPOS-MRXNPFEDSA-N 2 2 371.489 0.833 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)CC1 ZINC000734271727 1197743248 /nfs/dbraw/zinc/74/32/48/1197743248.db2.gz LUEAYTBDSRVPOS-MRXNPFEDSA-N 2 2 371.489 0.833 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)C1=O ZINC001085394419 1197863087 /nfs/dbraw/zinc/86/30/87/1197863087.db2.gz KEJUEPWRTJOLMM-BRWVUGGUSA-N 2 2 359.474 0.767 20 30 FCEDLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106419236 1197911945 /nfs/dbraw/zinc/91/19/45/1197911945.db2.gz ALRONCQORKSKOU-ZIAGYGMSSA-N 2 2 354.414 0.272 20 30 FCEDLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c(C)[nH+]1 ZINC001106455315 1197935763 /nfs/dbraw/zinc/93/57/63/1197935763.db2.gz MPANTJREWZTSSD-CZUORRHYSA-N 2 2 357.458 0.944 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086482373 1198956224 /nfs/dbraw/zinc/95/62/24/1198956224.db2.gz BVTFVDHWKSNXKS-HHARLNAUSA-N 2 2 371.485 0.795 20 30 FCEDLP C#CCC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000767978494 1200047099 /nfs/dbraw/zinc/04/70/99/1200047099.db2.gz FTHXCFXEEZFHEA-UHFFFAOYSA-N 2 2 362.518 0.733 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589936 1200410253 /nfs/dbraw/zinc/41/02/53/1200410253.db2.gz KWOKVVQLXOHEAA-NCOADZHNSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589936 1200410260 /nfs/dbraw/zinc/41/02/60/1200410260.db2.gz KWOKVVQLXOHEAA-NCOADZHNSA-N 2 2 360.502 0.720 20 30 FCEDLP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109858102 1200569224 /nfs/dbraw/zinc/56/92/24/1200569224.db2.gz UCWWJQDPWQMSIC-IKGGRYGDSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109858102 1200569230 /nfs/dbraw/zinc/56/92/30/1200569230.db2.gz UCWWJQDPWQMSIC-IKGGRYGDSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109858102 1200569237 /nfs/dbraw/zinc/56/92/37/1200569237.db2.gz UCWWJQDPWQMSIC-IKGGRYGDSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109858102 1200569243 /nfs/dbraw/zinc/56/92/43/1200569243.db2.gz UCWWJQDPWQMSIC-IKGGRYGDSA-N 2 2 363.506 0.860 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001109917036 1200605002 /nfs/dbraw/zinc/60/50/02/1200605002.db2.gz KWTAZKKQDDZLCY-IKGGRYGDSA-N 2 2 361.490 0.468 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001109917036 1200605006 /nfs/dbraw/zinc/60/50/06/1200605006.db2.gz KWTAZKKQDDZLCY-IKGGRYGDSA-N 2 2 361.490 0.468 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CC1 ZINC001219804226 1224624460 /nfs/dbraw/zinc/62/44/60/1224624460.db2.gz PZJIDWAWNWBGLR-SQNIBIBYSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CC1 ZINC001219804226 1224624464 /nfs/dbraw/zinc/62/44/64/1224624464.db2.gz PZJIDWAWNWBGLR-SQNIBIBYSA-N 2 2 360.433 0.699 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219821618 1224636633 /nfs/dbraw/zinc/63/66/33/1224636633.db2.gz UCVLURQHUVKWEX-AABGKKOBSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219821618 1224636637 /nfs/dbraw/zinc/63/66/37/1224636637.db2.gz UCVLURQHUVKWEX-AABGKKOBSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219821618 1224636641 /nfs/dbraw/zinc/63/66/41/1224636641.db2.gz UCVLURQHUVKWEX-AABGKKOBSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219821618 1224636647 /nfs/dbraw/zinc/63/66/47/1224636647.db2.gz UCVLURQHUVKWEX-AABGKKOBSA-N 2 2 371.481 0.462 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101631 1201266086 /nfs/dbraw/zinc/26/60/86/1201266086.db2.gz XPLZXQFNPFNXFX-NCOADZHNSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101631 1201266091 /nfs/dbraw/zinc/26/60/91/1201266091.db2.gz XPLZXQFNPFNXFX-NCOADZHNSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101631 1201266096 /nfs/dbraw/zinc/26/60/96/1201266096.db2.gz XPLZXQFNPFNXFX-NCOADZHNSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101631 1201266104 /nfs/dbraw/zinc/26/61/04/1201266104.db2.gz XPLZXQFNPFNXFX-NCOADZHNSA-N 2 2 361.490 0.422 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484685 1201331331 /nfs/dbraw/zinc/33/13/31/1201331331.db2.gz ARGQDXHHMJOCQM-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484685 1201331333 /nfs/dbraw/zinc/33/13/33/1201331333.db2.gz ARGQDXHHMJOCQM-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484685 1201331338 /nfs/dbraw/zinc/33/13/38/1201331338.db2.gz ARGQDXHHMJOCQM-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484685 1201331341 /nfs/dbraw/zinc/33/13/41/1201331341.db2.gz ARGQDXHHMJOCQM-MOPGFXCFSA-N 2 2 366.469 0.775 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484815 1201332035 /nfs/dbraw/zinc/33/20/35/1201332035.db2.gz JOYJFTVHRDDOQT-MSOLQXFVSA-N 2 2 358.490 0.909 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484815 1201332041 /nfs/dbraw/zinc/33/20/41/1201332041.db2.gz JOYJFTVHRDDOQT-MSOLQXFVSA-N 2 2 358.490 0.909 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219874882 1224666909 /nfs/dbraw/zinc/66/69/09/1224666909.db2.gz GXPYWVQBBXXUJS-ZACQAIPSSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219874882 1224666913 /nfs/dbraw/zinc/66/69/13/1224666913.db2.gz GXPYWVQBBXXUJS-ZACQAIPSSA-N 2 2 360.458 0.568 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001129864173 1201407778 /nfs/dbraw/zinc/40/77/78/1201407778.db2.gz RYFULWZMOMQDNH-SJORKVTESA-N 2 2 367.457 0.418 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918833 1201440619 /nfs/dbraw/zinc/44/06/19/1201440619.db2.gz KVEGMENWJYKZME-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130220776 1201550710 /nfs/dbraw/zinc/55/07/10/1201550710.db2.gz LRNNVRNEQAMGJR-ZNMIVQPWSA-N 2 2 364.494 0.799 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130617179 1202737232 /nfs/dbraw/zinc/73/72/32/1202737232.db2.gz RILHIRYBKHFEBY-VDZJLULYSA-N 2 2 366.469 0.787 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632568 1202739743 /nfs/dbraw/zinc/73/97/43/1202739743.db2.gz GMYJRYMECZIBTR-DOTOQJQBSA-N 2 2 354.458 0.694 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719331 1202765791 /nfs/dbraw/zinc/76/57/91/1202765791.db2.gz JYHSQSYVVFQYSJ-MAUKXSAKSA-N 2 2 370.457 0.228 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772673 1202787853 /nfs/dbraw/zinc/78/78/53/1202787853.db2.gz XGYFTLWFMZFFPJ-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772673 1202787855 /nfs/dbraw/zinc/78/78/55/1202787855.db2.gz XGYFTLWFMZFFPJ-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001171067517 1203303494 /nfs/dbraw/zinc/30/34/94/1203303494.db2.gz IMNIEWVCGPPJIZ-HNNXBMFYSA-N 2 2 362.478 0.867 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C)C[C@@]2(C)C1 ZINC001091748419 1204841429 /nfs/dbraw/zinc/84/14/29/1204841429.db2.gz KPWUGIYTWAQZDI-UWVAXJGDSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nccn3C)C[C@@]2(C)C1 ZINC001091748419 1204841432 /nfs/dbraw/zinc/84/14/32/1204841432.db2.gz KPWUGIYTWAQZDI-UWVAXJGDSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccn3C)C[C@@]2(C)C1 ZINC001091748419 1204841433 /nfs/dbraw/zinc/84/14/33/1204841433.db2.gz KPWUGIYTWAQZDI-UWVAXJGDSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccn3C)C[C@@]2(C)C1 ZINC001091748419 1204841435 /nfs/dbraw/zinc/84/14/35/1204841435.db2.gz KPWUGIYTWAQZDI-UWVAXJGDSA-N 2 2 355.486 0.798 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319913 1205247848 /nfs/dbraw/zinc/24/78/48/1205247848.db2.gz WWZNCMZDOVAJIU-MDZRGWNJSA-N 2 2 357.458 0.450 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319913 1205247852 /nfs/dbraw/zinc/24/78/52/1205247852.db2.gz WWZNCMZDOVAJIU-MDZRGWNJSA-N 2 2 357.458 0.450 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161584 1206243831 /nfs/dbraw/zinc/24/38/31/1206243831.db2.gz KMTFCIYVEMHDNI-DFEOGRTESA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161584 1206243835 /nfs/dbraw/zinc/24/38/35/1206243835.db2.gz KMTFCIYVEMHDNI-DFEOGRTESA-N 2 2 360.502 0.578 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001194085640 1207914519 /nfs/dbraw/zinc/91/45/19/1207914519.db2.gz GXPYWVQBBXXUJS-BRWVUGGUSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001194085640 1207914520 /nfs/dbraw/zinc/91/45/20/1207914520.db2.gz GXPYWVQBBXXUJS-BRWVUGGUSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C#N ZINC001195691549 1208034805 /nfs/dbraw/zinc/03/48/05/1208034805.db2.gz NEMHELNAJDATHX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C#N ZINC001195691549 1208034807 /nfs/dbraw/zinc/03/48/07/1208034807.db2.gz NEMHELNAJDATHX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738316 1225046080 /nfs/dbraw/zinc/04/60/80/1225046080.db2.gz WZEQVOCVIBDMPK-WSTZPKSXSA-N 2 2 361.486 0.827 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738316 1225046085 /nfs/dbraw/zinc/04/60/85/1225046085.db2.gz WZEQVOCVIBDMPK-WSTZPKSXSA-N 2 2 361.486 0.827 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198048380 1208213732 /nfs/dbraw/zinc/21/37/32/1208213732.db2.gz SLVPXFRWXVKPND-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198048380 1208213733 /nfs/dbraw/zinc/21/37/33/1208213733.db2.gz SLVPXFRWXVKPND-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048380 1208213736 /nfs/dbraw/zinc/21/37/36/1208213736.db2.gz SLVPXFRWXVKPND-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048380 1208213738 /nfs/dbraw/zinc/21/37/38/1208213738.db2.gz SLVPXFRWXVKPND-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198038507 1208216471 /nfs/dbraw/zinc/21/64/71/1208216471.db2.gz UIDFYEZMZMURSN-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198038507 1208216474 /nfs/dbraw/zinc/21/64/74/1208216474.db2.gz UIDFYEZMZMURSN-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038507 1208216476 /nfs/dbraw/zinc/21/64/76/1208216476.db2.gz UIDFYEZMZMURSN-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038507 1208216479 /nfs/dbraw/zinc/21/64/79/1208216479.db2.gz UIDFYEZMZMURSN-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754728 1209800969 /nfs/dbraw/zinc/80/09/69/1209800969.db2.gz ZWBQHVAGHYKRJO-ZJPYXAASSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754728 1209800973 /nfs/dbraw/zinc/80/09/73/1209800973.db2.gz ZWBQHVAGHYKRJO-ZJPYXAASSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754728 1209800975 /nfs/dbraw/zinc/80/09/75/1209800975.db2.gz ZWBQHVAGHYKRJO-ZJPYXAASSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754728 1209800977 /nfs/dbraw/zinc/80/09/77/1209800977.db2.gz ZWBQHVAGHYKRJO-ZJPYXAASSA-N 2 2 360.502 0.578 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110770338 1209814414 /nfs/dbraw/zinc/81/44/14/1209814414.db2.gz JELQZEHDNMJKPV-OIISXLGYSA-N 2 2 353.426 0.972 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110770338 1209814416 /nfs/dbraw/zinc/81/44/16/1209814416.db2.gz JELQZEHDNMJKPV-OIISXLGYSA-N 2 2 353.426 0.972 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994413 1225179897 /nfs/dbraw/zinc/17/98/97/1225179897.db2.gz PXINJOSURQJQFS-BBWFWOEESA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994413 1225179901 /nfs/dbraw/zinc/17/99/01/1225179901.db2.gz PXINJOSURQJQFS-BBWFWOEESA-N 2 2 366.506 0.105 20 30 FCEDLP C[NH+]1CCN(CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782300 1210429665 /nfs/dbraw/zinc/42/96/65/1210429665.db2.gz VOWMJXFPACWQRT-LJQANCHMSA-N 2 2 355.486 0.889 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158816 1225244826 /nfs/dbraw/zinc/24/48/26/1225244826.db2.gz YEIQRQZYOISSDF-BBWFWOEESA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158816 1225244831 /nfs/dbraw/zinc/24/48/31/1225244831.db2.gz YEIQRQZYOISSDF-BBWFWOEESA-N 2 2 366.506 0.105 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274433792 1211054676 /nfs/dbraw/zinc/05/46/76/1211054676.db2.gz YQBKVHOERFILSM-ROUUACIJSA-N 2 2 359.474 0.447 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934889 1211591646 /nfs/dbraw/zinc/59/16/46/1211591646.db2.gz QCVHBAIOAGVDKT-MLHJIOFPSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934889 1211591649 /nfs/dbraw/zinc/59/16/49/1211591649.db2.gz QCVHBAIOAGVDKT-MLHJIOFPSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934889 1211591653 /nfs/dbraw/zinc/59/16/53/1211591653.db2.gz QCVHBAIOAGVDKT-MLHJIOFPSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934889 1211591657 /nfs/dbraw/zinc/59/16/57/1211591657.db2.gz QCVHBAIOAGVDKT-MLHJIOFPSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948909 1211610425 /nfs/dbraw/zinc/61/04/25/1211610425.db2.gz PWOJXKGABNZGMG-SVGFKBNWSA-N 2 2 372.469 0.814 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948909 1211610426 /nfs/dbraw/zinc/61/04/26/1211610426.db2.gz PWOJXKGABNZGMG-SVGFKBNWSA-N 2 2 372.469 0.814 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959717 1211615261 /nfs/dbraw/zinc/61/52/61/1211615261.db2.gz YRHNWSQYZRFCTC-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959717 1211615267 /nfs/dbraw/zinc/61/52/67/1211615267.db2.gz YRHNWSQYZRFCTC-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000929500243 1211642379 /nfs/dbraw/zinc/64/23/79/1211642379.db2.gz RZZJQNHQCOBUAO-UHFFFAOYSA-N 2 2 357.458 0.761 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111161488 1211906466 /nfs/dbraw/zinc/90/64/66/1211906466.db2.gz MHTAQNADEQHZSU-KURKYZTESA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161488 1211906470 /nfs/dbraw/zinc/90/64/70/1211906470.db2.gz MHTAQNADEQHZSU-KURKYZTESA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161488 1211906474 /nfs/dbraw/zinc/90/64/74/1211906474.db2.gz MHTAQNADEQHZSU-KURKYZTESA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161488 1211906476 /nfs/dbraw/zinc/90/64/76/1211906476.db2.gz MHTAQNADEQHZSU-KURKYZTESA-N 2 2 362.518 0.969 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C(C)C ZINC001111162793 1211906717 /nfs/dbraw/zinc/90/67/17/1211906717.db2.gz KFESVPCKEWFNNG-XLMAVXFVSA-N 2 2 363.506 0.714 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C(C)C ZINC001111162793 1211906718 /nfs/dbraw/zinc/90/67/18/1211906718.db2.gz KFESVPCKEWFNNG-XLMAVXFVSA-N 2 2 363.506 0.714 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000949216004 1212328757 /nfs/dbraw/zinc/32/87/57/1212328757.db2.gz HOFSMNBGCSNGFG-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000949216004 1212328765 /nfs/dbraw/zinc/32/87/65/1212328765.db2.gz HOFSMNBGCSNGFG-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001114601796 1213139524 /nfs/dbraw/zinc/13/95/24/1213139524.db2.gz FTEZGKYIDRKBFS-GFEQUFNTSA-N 2 2 363.502 0.879 20 30 FCEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001114601796 1213139528 /nfs/dbraw/zinc/13/95/28/1213139528.db2.gz FTEZGKYIDRKBFS-GFEQUFNTSA-N 2 2 363.502 0.879 20 30 FCEDLP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022339 1215996766 /nfs/dbraw/zinc/99/67/66/1215996766.db2.gz VGGPQPCOEWZEDY-BRWVUGGUSA-N 2 2 367.457 0.702 20 30 FCEDLP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022339 1215996771 /nfs/dbraw/zinc/99/67/71/1215996771.db2.gz VGGPQPCOEWZEDY-BRWVUGGUSA-N 2 2 367.457 0.702 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222892017 1225663167 /nfs/dbraw/zinc/66/31/67/1225663167.db2.gz KSPGDHHRSKXYQU-OAGGEKHMSA-N 2 2 370.457 0.323 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222892017 1225663171 /nfs/dbraw/zinc/66/31/71/1225663171.db2.gz KSPGDHHRSKXYQU-OAGGEKHMSA-N 2 2 370.457 0.323 20 30 FCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583631 1216574567 /nfs/dbraw/zinc/57/45/67/1216574567.db2.gz ITIGXRHDLTVYAR-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583631 1216574573 /nfs/dbraw/zinc/57/45/73/1216574573.db2.gz ITIGXRHDLTVYAR-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070024173 1216902916 /nfs/dbraw/zinc/90/29/16/1216902916.db2.gz DFIOSMZOUJYLGT-MOPGFXCFSA-N 2 2 366.469 0.671 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070024173 1216902920 /nfs/dbraw/zinc/90/29/20/1216902920.db2.gz DFIOSMZOUJYLGT-MOPGFXCFSA-N 2 2 366.469 0.671 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000803201958 1218364148 /nfs/dbraw/zinc/36/41/48/1218364148.db2.gz IDXJONCVAQCYCP-SQNIBIBYSA-N 2 2 358.486 0.145 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000803201958 1218364155 /nfs/dbraw/zinc/36/41/55/1218364155.db2.gz IDXJONCVAQCYCP-SQNIBIBYSA-N 2 2 358.486 0.145 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000803201958 1218364160 /nfs/dbraw/zinc/36/41/60/1218364160.db2.gz IDXJONCVAQCYCP-SQNIBIBYSA-N 2 2 358.486 0.145 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000803201958 1218364166 /nfs/dbraw/zinc/36/41/66/1218364166.db2.gz IDXJONCVAQCYCP-SQNIBIBYSA-N 2 2 358.486 0.145 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001097248567 1218748134 /nfs/dbraw/zinc/74/81/34/1218748134.db2.gz AONYOIVRIGAAOW-YRXWBPOGSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001097248567 1218748147 /nfs/dbraw/zinc/74/81/47/1218748147.db2.gz AONYOIVRIGAAOW-YRXWBPOGSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1CCCC1=O ZINC001097248567 1218748155 /nfs/dbraw/zinc/74/81/55/1218748155.db2.gz AONYOIVRIGAAOW-YRXWBPOGSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1CCCC1=O ZINC001097248567 1218748167 /nfs/dbraw/zinc/74/81/67/1218748167.db2.gz AONYOIVRIGAAOW-YRXWBPOGSA-N 2 2 372.513 0.818 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227165750 1225865250 /nfs/dbraw/zinc/86/52/50/1225865250.db2.gz QFVLZLVSIRSWNU-USXIJHARSA-N 2 2 357.458 0.212 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001070220486 1219302597 /nfs/dbraw/zinc/30/25/97/1219302597.db2.gz HWDWHMAEBITKTM-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001070224327 1219304695 /nfs/dbraw/zinc/30/46/95/1219304695.db2.gz ZQTHJTPYGHRHFS-CVEARBPZSA-N 2 2 359.434 0.559 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001070533551 1219457103 /nfs/dbraw/zinc/45/71/03/1219457103.db2.gz DIHQPMHEDLFNFU-JKIFEVAISA-N 2 2 352.442 0.781 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915353 1219569993 /nfs/dbraw/zinc/56/99/93/1219569993.db2.gz WEDKXTPJGXCQOQ-ZACQAIPSSA-N 2 2 371.441 0.321 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915353 1219569998 /nfs/dbraw/zinc/56/99/98/1219569998.db2.gz WEDKXTPJGXCQOQ-ZACQAIPSSA-N 2 2 371.441 0.321 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924261 1219581473 /nfs/dbraw/zinc/58/14/73/1219581473.db2.gz JUWRPVOFBLDWJX-OAGGEKHMSA-N 2 2 359.430 0.483 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924261 1219581476 /nfs/dbraw/zinc/58/14/76/1219581476.db2.gz JUWRPVOFBLDWJX-OAGGEKHMSA-N 2 2 359.430 0.483 20 30 FCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073708454 1219677642 /nfs/dbraw/zinc/67/76/42/1219677642.db2.gz JZNRQUKAUIFCOC-SQNIBIBYSA-N 2 2 367.490 0.259 20 30 FCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073708454 1219677645 /nfs/dbraw/zinc/67/76/45/1219677645.db2.gz JZNRQUKAUIFCOC-SQNIBIBYSA-N 2 2 367.490 0.259 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CC1 ZINC001098462669 1219787111 /nfs/dbraw/zinc/78/71/11/1219787111.db2.gz HBLLXUKLCAKQRN-QRQLOZEOSA-N 2 2 355.486 0.987 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CC1 ZINC001098462669 1219787117 /nfs/dbraw/zinc/78/71/17/1219787117.db2.gz HBLLXUKLCAKQRN-QRQLOZEOSA-N 2 2 355.486 0.987 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001102047774 1220477386 /nfs/dbraw/zinc/47/73/86/1220477386.db2.gz SDAYAEVJCSYFFC-RBSFLKMASA-N 2 2 358.446 0.084 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001102047774 1220477388 /nfs/dbraw/zinc/47/73/88/1220477388.db2.gz SDAYAEVJCSYFFC-RBSFLKMASA-N 2 2 358.446 0.084 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644684 1220927125 /nfs/dbraw/zinc/92/71/25/1220927125.db2.gz LMRSZTQSJHXUGM-BZUAXINKSA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644684 1220927130 /nfs/dbraw/zinc/92/71/30/1220927130.db2.gz LMRSZTQSJHXUGM-BZUAXINKSA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984889 1221193335 /nfs/dbraw/zinc/19/33/35/1221193335.db2.gz SUHIQEFGSBVYJC-ALKREAHSSA-N 2 2 357.458 0.300 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984889 1221193341 /nfs/dbraw/zinc/19/33/41/1221193341.db2.gz SUHIQEFGSBVYJC-ALKREAHSSA-N 2 2 357.458 0.300 20 30 FCEDLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001210186232 1223673491 /nfs/dbraw/zinc/67/34/91/1223673491.db2.gz QPWPQDCSFIGTMY-BRWVUGGUSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001210186232 1223673496 /nfs/dbraw/zinc/67/34/96/1223673496.db2.gz QPWPQDCSFIGTMY-BRWVUGGUSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210186232 1223673499 /nfs/dbraw/zinc/67/34/99/1223673499.db2.gz QPWPQDCSFIGTMY-BRWVUGGUSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210186232 1223673502 /nfs/dbraw/zinc/67/35/02/1223673502.db2.gz QPWPQDCSFIGTMY-BRWVUGGUSA-N 2 2 363.506 0.717 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447808 1223742869 /nfs/dbraw/zinc/74/28/69/1223742869.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 2 357.458 0.195 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447808 1223742870 /nfs/dbraw/zinc/74/28/70/1223742870.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 2 357.458 0.195 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447808 1223742871 /nfs/dbraw/zinc/74/28/71/1223742871.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 2 357.458 0.195 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447808 1223742872 /nfs/dbraw/zinc/74/28/72/1223742872.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 2 357.458 0.195 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213458491 1223801704 /nfs/dbraw/zinc/80/17/04/1223801704.db2.gz YMIAYYVXNCHTNM-IXDOHACOSA-N 2 2 368.522 0.567 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213458491 1223801705 /nfs/dbraw/zinc/80/17/05/1223801705.db2.gz YMIAYYVXNCHTNM-IXDOHACOSA-N 2 2 368.522 0.567 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594697 1223819743 /nfs/dbraw/zinc/81/97/43/1223819743.db2.gz NPFYTBNSMAPYLV-JFIYKMOQSA-N 2 2 368.522 0.470 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594697 1223819747 /nfs/dbraw/zinc/81/97/47/1223819747.db2.gz NPFYTBNSMAPYLV-JFIYKMOQSA-N 2 2 368.522 0.470 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655515 1223828941 /nfs/dbraw/zinc/82/89/41/1223828941.db2.gz QZTYGMHTPFEWPO-IAGOWNOFSA-N 2 2 366.506 0.224 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655515 1223828944 /nfs/dbraw/zinc/82/89/44/1223828944.db2.gz QZTYGMHTPFEWPO-IAGOWNOFSA-N 2 2 366.506 0.224 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006683 1223963683 /nfs/dbraw/zinc/96/36/83/1223963683.db2.gz ZJGIJNXYQKCZFX-SUYBPPKGSA-N 2 2 359.474 0.562 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006683 1223963684 /nfs/dbraw/zinc/96/36/84/1223963684.db2.gz ZJGIJNXYQKCZFX-SUYBPPKGSA-N 2 2 359.474 0.562 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000976697999 1248344245 /nfs/dbraw/zinc/34/42/45/1248344245.db2.gz FDKOAKSASQKLEO-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000976697999 1248344254 /nfs/dbraw/zinc/34/42/54/1248344254.db2.gz FDKOAKSASQKLEO-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000996683690 1251413001 /nfs/dbraw/zinc/41/30/01/1251413001.db2.gz GSORMTXMFTXHDO-OAGGEKHMSA-N 2 2 357.458 0.881 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000996683690 1251413012 /nfs/dbraw/zinc/41/30/12/1251413012.db2.gz GSORMTXMFTXHDO-OAGGEKHMSA-N 2 2 357.458 0.881 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997358333 1251560502 /nfs/dbraw/zinc/56/05/02/1251560502.db2.gz YWFSAUHTGFWLAF-IKGGRYGDSA-N 2 2 369.469 0.546 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001003677749 1253056579 /nfs/dbraw/zinc/05/65/79/1253056579.db2.gz ZZBPIZLBIYMZEJ-GFEQUFNTSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001003677749 1253056585 /nfs/dbraw/zinc/05/65/85/1253056585.db2.gz ZZBPIZLBIYMZEJ-GFEQUFNTSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001003677749 1253056589 /nfs/dbraw/zinc/05/65/89/1253056589.db2.gz ZZBPIZLBIYMZEJ-GFEQUFNTSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001003677749 1253056602 /nfs/dbraw/zinc/05/66/02/1253056602.db2.gz ZZBPIZLBIYMZEJ-GFEQUFNTSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003752899 1253091999 /nfs/dbraw/zinc/09/19/99/1253091999.db2.gz LBAMUBPXRSFGAW-NCOADZHNSA-N 2 2 355.442 0.229 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003752899 1253092003 /nfs/dbraw/zinc/09/20/03/1253092003.db2.gz LBAMUBPXRSFGAW-NCOADZHNSA-N 2 2 355.442 0.229 20 30 FCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001031770186 1253895034 /nfs/dbraw/zinc/89/50/34/1253895034.db2.gz WCBBATSYIAAGFP-FZKQIMNGSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001031770186 1253895043 /nfs/dbraw/zinc/89/50/43/1253895043.db2.gz WCBBATSYIAAGFP-FZKQIMNGSA-N 2 2 360.433 0.964 20 30 FCEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231362 1255479928 /nfs/dbraw/zinc/47/99/28/1255479928.db2.gz HDLWSGOXYFNXDX-KSZLIROESA-N 2 2 363.502 0.833 20 30 FCEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231362 1255479934 /nfs/dbraw/zinc/47/99/34/1255479934.db2.gz HDLWSGOXYFNXDX-KSZLIROESA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001079878126 1255649142 /nfs/dbraw/zinc/64/91/42/1255649142.db2.gz HPZBLWDRHDKUQR-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001079878126 1255649148 /nfs/dbraw/zinc/64/91/48/1255649148.db2.gz HPZBLWDRHDKUQR-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001079878126 1255649154 /nfs/dbraw/zinc/64/91/54/1255649154.db2.gz HPZBLWDRHDKUQR-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001079878126 1255649163 /nfs/dbraw/zinc/64/91/63/1255649163.db2.gz HPZBLWDRHDKUQR-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001080935292 1256103427 /nfs/dbraw/zinc/10/34/27/1256103427.db2.gz PFUHNKXNCTUKJQ-SZVBFZGTSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001080935292 1256103430 /nfs/dbraw/zinc/10/34/30/1256103430.db2.gz PFUHNKXNCTUKJQ-SZVBFZGTSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001080935292 1256103436 /nfs/dbraw/zinc/10/34/36/1256103436.db2.gz PFUHNKXNCTUKJQ-SZVBFZGTSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001080935292 1256103442 /nfs/dbraw/zinc/10/34/42/1256103442.db2.gz PFUHNKXNCTUKJQ-SZVBFZGTSA-N 2 2 368.481 0.995 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977717 1256480461 /nfs/dbraw/zinc/48/04/61/1256480461.db2.gz QOJWGYREWRISBK-ZJPYXAASSA-N 2 2 367.490 0.258 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977717 1256480462 /nfs/dbraw/zinc/48/04/62/1256480462.db2.gz QOJWGYREWRISBK-ZJPYXAASSA-N 2 2 367.490 0.258 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2OC)CC1 ZINC001082384218 1256734924 /nfs/dbraw/zinc/73/49/24/1256734924.db2.gz JLXKPCVNKVSEID-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2OC)CC1 ZINC001082384218 1256734930 /nfs/dbraw/zinc/73/49/30/1256734930.db2.gz JLXKPCVNKVSEID-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2OC)CC1 ZINC001082384323 1256735210 /nfs/dbraw/zinc/73/52/10/1256735210.db2.gz PSEMLSQCTPSQKH-QZTJIDSGSA-N 2 2 359.474 0.081 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2OC)CC1 ZINC001082384323 1256735212 /nfs/dbraw/zinc/73/52/12/1256735212.db2.gz PSEMLSQCTPSQKH-QZTJIDSGSA-N 2 2 359.474 0.081 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082458218 1256769858 /nfs/dbraw/zinc/76/98/58/1256769858.db2.gz CLZAMMARECKHLY-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082458218 1256769863 /nfs/dbraw/zinc/76/98/63/1256769863.db2.gz CLZAMMARECKHLY-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082457816 1256770288 /nfs/dbraw/zinc/77/02/88/1256770288.db2.gz HAKNFRMAMPGCGY-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082457816 1256770291 /nfs/dbraw/zinc/77/02/91/1256770291.db2.gz HAKNFRMAMPGCGY-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082458279 1256771203 /nfs/dbraw/zinc/77/12/03/1256771203.db2.gz FRZWKXKLSYRNHT-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082458279 1256771207 /nfs/dbraw/zinc/77/12/07/1256771207.db2.gz FRZWKXKLSYRNHT-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001082567993 1256872114 /nfs/dbraw/zinc/87/21/14/1256872114.db2.gz QMNUFYJIRZJXAH-ZACQAIPSSA-N 2 2 370.501 0.649 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001082567993 1256872125 /nfs/dbraw/zinc/87/21/25/1256872125.db2.gz QMNUFYJIRZJXAH-ZACQAIPSSA-N 2 2 370.501 0.649 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001082567795 1256873717 /nfs/dbraw/zinc/87/37/17/1256873717.db2.gz BRJKEVMRWGSCOX-LZQZEXGQSA-N 2 2 370.501 0.722 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001082567795 1256873726 /nfs/dbraw/zinc/87/37/26/1256873726.db2.gz BRJKEVMRWGSCOX-LZQZEXGQSA-N 2 2 370.501 0.722 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001082659146 1256962779 /nfs/dbraw/zinc/96/27/79/1256962779.db2.gz WHMJVPIURSPYIH-OWCLPIDISA-N 2 2 359.474 0.576 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC1 ZINC001083749416 1257488178 /nfs/dbraw/zinc/48/81/78/1257488178.db2.gz XUVOMEYSRZQBHM-MSOLQXFVSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC1 ZINC001083749416 1257488182 /nfs/dbraw/zinc/48/81/82/1257488182.db2.gz XUVOMEYSRZQBHM-MSOLQXFVSA-N 2 2 360.433 0.700 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001084090209 1257915424 /nfs/dbraw/zinc/91/54/24/1257915424.db2.gz OYFCOGAYFWAGKV-MOPGFXCFSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001084090209 1257915426 /nfs/dbraw/zinc/91/54/26/1257915426.db2.gz OYFCOGAYFWAGKV-MOPGFXCFSA-N 2 2 359.445 0.832 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084561143 1258170982 /nfs/dbraw/zinc/17/09/82/1258170982.db2.gz UPULDIGUCXWNIF-IXDOHACOSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084561143 1258170986 /nfs/dbraw/zinc/17/09/86/1258170986.db2.gz UPULDIGUCXWNIF-IXDOHACOSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085105796 1258599643 /nfs/dbraw/zinc/59/96/43/1258599643.db2.gz GPWARUCCLHEOBG-ULQDDVLXSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085105796 1258599646 /nfs/dbraw/zinc/59/96/46/1258599646.db2.gz GPWARUCCLHEOBG-ULQDDVLXSA-N 2 2 357.458 0.593 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100156208 1258906293 /nfs/dbraw/zinc/90/62/93/1258906293.db2.gz UUVZEZRJVNKQIG-ZCNNSNEGSA-N 2 2 371.481 0.933 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100156208 1258906301 /nfs/dbraw/zinc/90/63/01/1258906301.db2.gz UUVZEZRJVNKQIG-ZCNNSNEGSA-N 2 2 371.481 0.933 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621134 1259135933 /nfs/dbraw/zinc/13/59/33/1259135933.db2.gz JUVXGIGNZKSURX-VQIMIIECSA-N 2 2 357.458 0.371 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621134 1259135938 /nfs/dbraw/zinc/13/59/38/1259135938.db2.gz JUVXGIGNZKSURX-VQIMIIECSA-N 2 2 357.458 0.371 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@@H]1n1ccnn1 ZINC001129052338 1259298718 /nfs/dbraw/zinc/29/87/18/1259298718.db2.gz CEUUUXXGBKYDKL-SQNIBIBYSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@@H]1n1ccnn1 ZINC001129052338 1259298722 /nfs/dbraw/zinc/29/87/22/1259298722.db2.gz CEUUUXXGBKYDKL-SQNIBIBYSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@@H]1n1ccnn1 ZINC001129052338 1259298729 /nfs/dbraw/zinc/29/87/29/1259298729.db2.gz CEUUUXXGBKYDKL-SQNIBIBYSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@@H]1n1ccnn1 ZINC001129052338 1259298736 /nfs/dbraw/zinc/29/87/36/1259298736.db2.gz CEUUUXXGBKYDKL-SQNIBIBYSA-N 2 2 358.490 0.907 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129122148 1259320606 /nfs/dbraw/zinc/32/06/06/1259320606.db2.gz DVVLHACKJGUXIP-SJORKVTESA-N 2 2 358.490 0.765 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129122148 1259320616 /nfs/dbraw/zinc/32/06/16/1259320616.db2.gz DVVLHACKJGUXIP-SJORKVTESA-N 2 2 358.490 0.765 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139742 1259327152 /nfs/dbraw/zinc/32/71/52/1259327152.db2.gz UMGXTQTYZXBGAC-CVEARBPZSA-N 2 2 359.434 0.109 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139742 1259327160 /nfs/dbraw/zinc/32/71/60/1259327160.db2.gz UMGXTQTYZXBGAC-CVEARBPZSA-N 2 2 359.434 0.109 20 30 FCEDLP CN(CCC#N)c1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310867 1259588692 /nfs/dbraw/zinc/58/86/92/1259588692.db2.gz APBJZTDRXZHWQX-UHFFFAOYSA-N 3 2 360.506 0.652 20 30 FCEDLP CN(CCC#N)c1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310867 1259588696 /nfs/dbraw/zinc/58/86/96/1259588696.db2.gz APBJZTDRXZHWQX-UHFFFAOYSA-N 3 2 360.506 0.652 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC001251035934 1259734164 /nfs/dbraw/zinc/73/41/64/1259734164.db2.gz STLMJFDSLWCIDN-FQEVSTJZSA-N 2 2 358.486 0.805 20 30 FCEDLP C=C[C@@](C)(O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252552849 1259796002 /nfs/dbraw/zinc/79/60/02/1259796002.db2.gz NAFIJJLZLLPYKU-VQIMIIECSA-N 2 2 364.490 0.605 20 30 FCEDLP C=C[C@@](C)(O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252552849 1259796009 /nfs/dbraw/zinc/79/60/09/1259796009.db2.gz NAFIJJLZLLPYKU-VQIMIIECSA-N 2 2 364.490 0.605 20 30 FCEDLP C[N@@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258969 1261043577 /nfs/dbraw/zinc/04/35/77/1261043577.db2.gz USQZAKANISIMQJ-NLNMYJFZSA-N 2 2 360.502 0.914 20 30 FCEDLP C[N@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258969 1261043580 /nfs/dbraw/zinc/04/35/80/1261043580.db2.gz USQZAKANISIMQJ-NLNMYJFZSA-N 2 2 360.502 0.914 20 30 FCEDLP C[NH+]1CCC[C@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258969 1261043583 /nfs/dbraw/zinc/04/35/83/1261043583.db2.gz USQZAKANISIMQJ-NLNMYJFZSA-N 2 2 360.502 0.914 20 30 FCEDLP C[NH+]1CCC[C@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258969 1261043587 /nfs/dbraw/zinc/04/35/87/1261043587.db2.gz USQZAKANISIMQJ-NLNMYJFZSA-N 2 2 360.502 0.914 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCc2ccccn2)CC1 ZINC001574707094 1271498140 /nfs/dbraw/zinc/49/81/40/1271498140.db2.gz MHWIJHNHXPYNAX-CALCHBBNSA-N 2 2 365.485 0.876 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001574967146 1271686905 /nfs/dbraw/zinc/68/69/05/1271686905.db2.gz MYSCCWSWTSBFHU-NVXWUHKLSA-N 2 2 358.490 0.724 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001692087599 1289396740 /nfs/dbraw/zinc/39/67/40/1289396740.db2.gz JKAVJBMSTDQTMK-INMHGKMJSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001692087599 1289396749 /nfs/dbraw/zinc/39/67/49/1289396749.db2.gz JKAVJBMSTDQTMK-INMHGKMJSA-N 2 2 359.474 0.554 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001689312718 1294737449 /nfs/dbraw/zinc/73/74/49/1294737449.db2.gz ITUZOKZJZRBEES-KMFMINBZSA-N 2 2 359.474 0.635 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001689312718 1294737458 /nfs/dbraw/zinc/73/74/58/1294737458.db2.gz ITUZOKZJZRBEES-KMFMINBZSA-N 2 2 359.474 0.635 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001690341451 1294864940 /nfs/dbraw/zinc/86/49/40/1294864940.db2.gz PAYSCHBZVRMTNL-LXTVHRRPSA-N 2 2 358.446 0.512 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001690341451 1294864943 /nfs/dbraw/zinc/86/49/43/1294864943.db2.gz PAYSCHBZVRMTNL-LXTVHRRPSA-N 2 2 358.446 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O ZINC001077158931 838778480 /nfs/dbraw/zinc/77/84/80/838778480.db2.gz FQCOWFZIGNNDBU-FGTMMUONSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O ZINC001077158931 838778487 /nfs/dbraw/zinc/77/84/87/838778487.db2.gz FQCOWFZIGNNDBU-FGTMMUONSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1O ZINC001077158931 838778495 /nfs/dbraw/zinc/77/84/95/838778495.db2.gz FQCOWFZIGNNDBU-FGTMMUONSA-N 2 2 361.511 0.940 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1O ZINC001077158931 838778499 /nfs/dbraw/zinc/77/84/99/838778499.db2.gz FQCOWFZIGNNDBU-FGTMMUONSA-N 2 2 361.511 0.940 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174603 839378959 /nfs/dbraw/zinc/37/89/59/839378959.db2.gz QFYJQCFRYGMOMP-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174603 839378974 /nfs/dbraw/zinc/37/89/74/839378974.db2.gz QFYJQCFRYGMOMP-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174603 839378986 /nfs/dbraw/zinc/37/89/86/839378986.db2.gz QFYJQCFRYGMOMP-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174603 839378999 /nfs/dbraw/zinc/37/89/99/839378999.db2.gz QFYJQCFRYGMOMP-CGTJXYLNSA-N 2 2 361.873 0.805 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2O)CC1 ZINC001084090263 841698198 /nfs/dbraw/zinc/69/81/98/841698198.db2.gz REMZEIVGNCVNBX-SJORKVTESA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2O)CC1 ZINC001084090263 841698202 /nfs/dbraw/zinc/69/82/02/841698202.db2.gz REMZEIVGNCVNBX-SJORKVTESA-N 2 2 362.499 0.458 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616338 845929747 /nfs/dbraw/zinc/92/97/47/845929747.db2.gz CMTOHDGNMXWHEN-QXSJWSMHSA-N 2 2 352.454 0.137 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616338 845929754 /nfs/dbraw/zinc/92/97/54/845929754.db2.gz CMTOHDGNMXWHEN-QXSJWSMHSA-N 2 2 352.454 0.137 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130221150 848978906 /nfs/dbraw/zinc/97/89/06/848978906.db2.gz WZANCMRXLNTMJI-MJBXVCDLSA-N 2 2 350.467 0.409 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446917 854620831 /nfs/dbraw/zinc/62/08/31/854620831.db2.gz ZRKCGIQWESDMIE-HUUCEWRRSA-N 2 2 354.495 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446917 854620833 /nfs/dbraw/zinc/62/08/33/854620833.db2.gz ZRKCGIQWESDMIE-HUUCEWRRSA-N 2 2 354.495 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446917 854620834 /nfs/dbraw/zinc/62/08/34/854620834.db2.gz ZRKCGIQWESDMIE-HUUCEWRRSA-N 2 2 354.495 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446917 854620836 /nfs/dbraw/zinc/62/08/36/854620836.db2.gz ZRKCGIQWESDMIE-HUUCEWRRSA-N 2 2 354.495 0.082 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803469 855248313 /nfs/dbraw/zinc/24/83/13/855248313.db2.gz ZCBHYVGCBFRKEN-KBAYOESNSA-N 2 2 351.491 0.736 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588047 856614532 /nfs/dbraw/zinc/61/45/32/856614532.db2.gz RAWSEAIDZHNYIY-BZUAXINKSA-N 2 2 354.470 0.501 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588047 856614536 /nfs/dbraw/zinc/61/45/36/856614536.db2.gz RAWSEAIDZHNYIY-BZUAXINKSA-N 2 2 354.470 0.501 20 30 FCEDLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419981925 246398622 /nfs/dbraw/zinc/39/86/22/246398622.db2.gz SOFVDFLEBWLAJA-HNNXBMFYSA-N 2 2 357.458 0.174 20 30 FCEDLP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCSCC1 ZINC000261990158 229294636 /nfs/dbraw/zinc/29/46/36/229294636.db2.gz LLKNZQIBIPGGHD-UHFFFAOYSA-N 2 2 362.503 0.484 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000328969834 488956020 /nfs/dbraw/zinc/95/60/20/488956020.db2.gz AYEOFVKSNLYSNV-CABCVRRESA-N 2 2 352.479 0.606 20 30 FCEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C[NH3+])C1 ZINC000562814186 491191126 /nfs/dbraw/zinc/19/11/26/491191126.db2.gz RGVJXBGOHNJHFP-CGZBRXJRSA-N 2 2 372.473 0.928 20 30 FCEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C[NH3+])C1 ZINC000562814185 491191324 /nfs/dbraw/zinc/19/13/24/491191324.db2.gz RGVJXBGOHNJHFP-AQFXKWCLSA-N 2 2 372.473 0.928 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087670 488504374 /nfs/dbraw/zinc/50/43/74/488504374.db2.gz RAWAEIAWSMXOIT-UHFFFAOYSA-N 2 2 373.501 0.748 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087670 488504375 /nfs/dbraw/zinc/50/43/75/488504375.db2.gz RAWAEIAWSMXOIT-UHFFFAOYSA-N 2 2 373.501 0.748 20 30 FCEDLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563145217 491221070 /nfs/dbraw/zinc/22/10/70/491221070.db2.gz VXMZZJXBSNRLLU-GJZGRUSLSA-N 2 2 357.458 0.444 20 30 FCEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329225880 488982845 /nfs/dbraw/zinc/98/28/45/488982845.db2.gz GXDWOZQLYSLIEV-BRWVUGGUSA-N 2 2 353.511 0.331 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000329252801 488985406 /nfs/dbraw/zinc/98/54/06/488985406.db2.gz CAUBQDPCBWXRBK-UHFFFAOYSA-N 2 2 351.495 0.623 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330035095 489063088 /nfs/dbraw/zinc/06/30/88/489063088.db2.gz XAVIZFVEKCOOCP-IAGOWNOFSA-N 2 2 362.478 0.977 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330035095 489063092 /nfs/dbraw/zinc/06/30/92/489063092.db2.gz XAVIZFVEKCOOCP-IAGOWNOFSA-N 2 2 362.478 0.977 20 30 FCEDLP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330271977 489086776 /nfs/dbraw/zinc/08/67/76/489086776.db2.gz WWTMWTOIQCSIST-HZPDHXFCSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330271977 489086779 /nfs/dbraw/zinc/08/67/79/489086779.db2.gz WWTMWTOIQCSIST-HZPDHXFCSA-N 2 2 354.495 0.806 20 30 FCEDLP COc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000281574003 489087929 /nfs/dbraw/zinc/08/79/29/489087929.db2.gz CTKOOBAHAAEIJM-QGZVFWFLSA-N 2 2 358.442 0.590 20 30 FCEDLP NC(CN1CCOCC1)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283487668 489265043 /nfs/dbraw/zinc/26/50/43/489265043.db2.gz IGJUUHKTEFTYCZ-SFHVURJKSA-N 2 2 362.474 0.899 20 30 FCEDLP NC(CN1CCOCC1)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283487668 489265045 /nfs/dbraw/zinc/26/50/45/489265045.db2.gz IGJUUHKTEFTYCZ-SFHVURJKSA-N 2 2 362.474 0.899 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334004068 489265680 /nfs/dbraw/zinc/26/56/80/489265680.db2.gz SPSLDWXLMFPIQU-OWCLPIDISA-N 2 2 351.495 0.345 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334004068 489265683 /nfs/dbraw/zinc/26/56/83/489265683.db2.gz SPSLDWXLMFPIQU-OWCLPIDISA-N 2 2 351.495 0.345 20 30 FCEDLP C#CCNc1nc(N2CC[NH+](CC)CC2)nc(N2CC[NH+](CC)CC2)n1 ZINC000286941945 489445739 /nfs/dbraw/zinc/44/57/39/489445739.db2.gz MEKYATZXOKUYEO-UHFFFAOYSA-N 2 2 358.494 0.201 20 30 FCEDLP C[N@H+](CCC#N)C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135709 489492216 /nfs/dbraw/zinc/49/22/16/489492216.db2.gz DPIVRCBHYZFDEM-OKZBNKHCSA-N 2 2 370.453 0.310 20 30 FCEDLP C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135709 489492217 /nfs/dbraw/zinc/49/22/17/489492217.db2.gz DPIVRCBHYZFDEM-OKZBNKHCSA-N 2 2 370.453 0.310 20 30 FCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135709 489492221 /nfs/dbraw/zinc/49/22/21/489492221.db2.gz DPIVRCBHYZFDEM-OKZBNKHCSA-N 2 2 370.453 0.310 20 30 FCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135709 489492226 /nfs/dbraw/zinc/49/22/26/489492226.db2.gz DPIVRCBHYZFDEM-OKZBNKHCSA-N 2 2 370.453 0.310 20 30 FCEDLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423009000 490517214 /nfs/dbraw/zinc/51/72/14/490517214.db2.gz BNBTVCIHIYFUGD-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423015305 490518730 /nfs/dbraw/zinc/51/87/30/490518730.db2.gz QTDFRNVULKVKCY-UHFFFAOYSA-N 2 2 369.469 0.413 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550279118 490652921 /nfs/dbraw/zinc/65/29/21/490652921.db2.gz COQVTVPNZBVHBA-KRWDZBQOSA-N 2 2 366.506 0.226 20 30 FCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528394067 490794361 /nfs/dbraw/zinc/79/43/61/490794361.db2.gz WOLMVGIRZFQSTH-QGZVFWFLSA-N 2 2 367.449 0.940 20 30 FCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528394067 490794362 /nfs/dbraw/zinc/79/43/62/490794362.db2.gz WOLMVGIRZFQSTH-QGZVFWFLSA-N 2 2 367.449 0.940 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000528424924 490797388 /nfs/dbraw/zinc/79/73/88/490797388.db2.gz ZBCGHUMOOYFMIL-ROUUACIJSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000528424924 490797391 /nfs/dbraw/zinc/79/73/91/490797391.db2.gz ZBCGHUMOOYFMIL-ROUUACIJSA-N 2 2 372.469 0.712 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000516672249 490874567 /nfs/dbraw/zinc/87/45/67/490874567.db2.gz JDKFQPPZLYLUDA-IYBDPMFKSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000516672249 490874568 /nfs/dbraw/zinc/87/45/68/490874568.db2.gz JDKFQPPZLYLUDA-IYBDPMFKSA-N 2 2 366.506 0.321 20 30 FCEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000517732474 490918304 /nfs/dbraw/zinc/91/83/04/490918304.db2.gz IUTGNWXQJNQVLH-OAHLLOKOSA-N 2 2 350.488 0.557 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000565299995 491368429 /nfs/dbraw/zinc/36/84/29/491368429.db2.gz MAGTUIGQIDRUCH-KRWDZBQOSA-N 2 2 360.458 0.440 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1 ZINC000589416064 491761604 /nfs/dbraw/zinc/76/16/04/491761604.db2.gz HSYBTEQMWAWPMO-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591418449 491805387 /nfs/dbraw/zinc/80/53/87/491805387.db2.gz DCOSHTVXQQDANA-GOSISDBHSA-N 2 2 369.469 0.461 20 30 FCEDLP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000591570883 491809037 /nfs/dbraw/zinc/80/90/37/491809037.db2.gz HHABXZKJIAEOAY-UHFFFAOYSA-N 2 2 369.469 0.542 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC000601572204 491935088 /nfs/dbraw/zinc/93/50/88/491935088.db2.gz PUSBNYUHVFQOAH-UHFFFAOYSA-N 2 2 362.522 0.786 20 30 FCEDLP N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000611429278 492287989 /nfs/dbraw/zinc/28/79/89/492287989.db2.gz YONKBLWBPSAKCI-BZUAXINKSA-N 2 2 359.499 0.608 20 30 FCEDLP C=CCn1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000644931735 492830870 /nfs/dbraw/zinc/83/08/70/492830870.db2.gz GCZHRIDVDVRODC-UHFFFAOYSA-N 2 2 361.494 0.822 20 30 FCEDLP CC#CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000640952642 493153605 /nfs/dbraw/zinc/15/36/05/493153605.db2.gz CEWQYFQUEGAZKU-UHFFFAOYSA-N 2 2 372.498 0.797 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262757854 526360097 /nfs/dbraw/zinc/36/00/97/526360097.db2.gz CEZFAKPSRXNDSX-UHFFFAOYSA-N 2 2 365.503 0.662 20 30 FCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261943276 526367406 /nfs/dbraw/zinc/36/74/06/526367406.db2.gz FCGGXHBILRJZSG-INIZCTEOSA-N 2 2 361.494 0.087 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261843871 526388764 /nfs/dbraw/zinc/38/87/64/526388764.db2.gz WONXEIHHZMYZLZ-OAHLLOKOSA-N 3 2 363.510 0.216 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262819209 526389291 /nfs/dbraw/zinc/38/92/91/526389291.db2.gz WNILZLMNCMJTJA-KBPBESRZSA-N 2 2 363.510 0.798 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156255831 526998900 /nfs/dbraw/zinc/99/89/00/526998900.db2.gz SAUOVPPMMQPWLU-UHFFFAOYSA-N 2 2 356.470 0.646 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156255831 526998907 /nfs/dbraw/zinc/99/89/07/526998907.db2.gz SAUOVPPMMQPWLU-UHFFFAOYSA-N 2 2 356.470 0.646 20 30 FCEDLP C=CC[NH+](CC=C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000172167134 527641996 /nfs/dbraw/zinc/64/19/96/527641996.db2.gz XCNQIZNXHPSIKA-UHFFFAOYSA-N 2 2 355.446 0.686 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977299 528811409 /nfs/dbraw/zinc/81/14/09/528811409.db2.gz NXXCGJRZXSBBFO-KSZLIROESA-N 3 2 361.538 0.977 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977299 528811415 /nfs/dbraw/zinc/81/14/15/528811415.db2.gz NXXCGJRZXSBBFO-KSZLIROESA-N 3 2 361.538 0.977 20 30 FCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000884199843 673436901 /nfs/dbraw/zinc/43/69/01/673436901.db2.gz LYHHCNDJAROZKS-XPJGSDBHSA-N 2 2 364.515 0.450 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001104306182 1169873212 /nfs/dbraw/zinc/87/32/12/1169873212.db2.gz PFWGTMZHKGAIAE-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001104306182 1169873213 /nfs/dbraw/zinc/87/32/13/1169873213.db2.gz PFWGTMZHKGAIAE-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)CC1 ZINC000988774742 1192463533 /nfs/dbraw/zinc/46/35/33/1192463533.db2.gz RYTMMQZZUKEOQW-WBVHZDCISA-N 2 2 357.458 0.334 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775207 1182912677 /nfs/dbraw/zinc/91/26/77/1182912677.db2.gz DAMZIHNMJACJHQ-BZUAXINKSA-N 2 2 359.474 0.412 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775207 1182912689 /nfs/dbraw/zinc/91/26/89/1182912689.db2.gz DAMZIHNMJACJHQ-BZUAXINKSA-N 2 2 359.474 0.412 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697090 1186318784 /nfs/dbraw/zinc/31/87/84/1186318784.db2.gz UGHDCUBPGODWRR-DLBZAZTESA-N 2 2 367.453 0.839 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001087998222 1190174545 /nfs/dbraw/zinc/17/45/45/1190174545.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001087998222 1190174550 /nfs/dbraw/zinc/17/45/50/1190174550.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001087998222 1190174553 /nfs/dbraw/zinc/17/45/53/1190174553.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001087998222 1190174555 /nfs/dbraw/zinc/17/45/55/1190174555.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087998258 1190174597 /nfs/dbraw/zinc/17/45/97/1190174597.db2.gz ZAWKUQHVZQWQCI-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087998258 1190174599 /nfs/dbraw/zinc/17/45/99/1190174599.db2.gz ZAWKUQHVZQWQCI-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087998258 1190174600 /nfs/dbraw/zinc/17/46/00/1190174600.db2.gz ZAWKUQHVZQWQCI-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087998258 1190174602 /nfs/dbraw/zinc/17/46/02/1190174602.db2.gz ZAWKUQHVZQWQCI-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001218101722 1224139776 /nfs/dbraw/zinc/13/97/76/1224139776.db2.gz WAFNTJKWGVTPIE-IXDOHACOSA-N 2 2 360.458 0.875 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001218101722 1224139777 /nfs/dbraw/zinc/13/97/77/1224139777.db2.gz WAFNTJKWGVTPIE-IXDOHACOSA-N 2 2 360.458 0.875 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001077299653 1195398523 /nfs/dbraw/zinc/39/85/23/1195398523.db2.gz LUIPZZNMWBSDLY-QZTJIDSGSA-N 2 2 354.454 0.848 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001077299653 1195398529 /nfs/dbraw/zinc/39/85/29/1195398529.db2.gz LUIPZZNMWBSDLY-QZTJIDSGSA-N 2 2 354.454 0.848 20 30 FCEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218989066 1224280308 /nfs/dbraw/zinc/28/03/08/1224280308.db2.gz OKEIVMYBLOLYKF-IBGZPJMESA-N 2 2 357.458 0.186 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004497 1224285026 /nfs/dbraw/zinc/28/50/26/1224285026.db2.gz LWCKDRSUZJRKHT-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004497 1224285030 /nfs/dbraw/zinc/28/50/30/1224285030.db2.gz LWCKDRSUZJRKHT-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004497 1224285038 /nfs/dbraw/zinc/28/50/38/1224285038.db2.gz LWCKDRSUZJRKHT-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004497 1224285043 /nfs/dbraw/zinc/28/50/43/1224285043.db2.gz LWCKDRSUZJRKHT-YESZJQIVSA-N 2 2 366.506 0.321 20 30 FCEDLP CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000592290623 1196576842 /nfs/dbraw/zinc/57/68/42/1196576842.db2.gz NFWNNNJKTLIXOQ-MRXNPFEDSA-N 2 2 370.457 0.519 20 30 FCEDLP CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000592290623 1196576851 /nfs/dbraw/zinc/57/68/51/1196576851.db2.gz NFWNNNJKTLIXOQ-MRXNPFEDSA-N 2 2 370.457 0.519 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000594300854 1196884669 /nfs/dbraw/zinc/88/46/69/1196884669.db2.gz KCPZRCHQTZFSRJ-HNNXBMFYSA-N 2 2 370.457 0.485 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000594300854 1196884673 /nfs/dbraw/zinc/88/46/73/1196884673.db2.gz KCPZRCHQTZFSRJ-HNNXBMFYSA-N 2 2 370.457 0.485 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNc3ccc(C#N)cn3)C2)CC1 ZINC000734268605 1197741128 /nfs/dbraw/zinc/74/11/28/1197741128.db2.gz VPVOSTDGRRXBPK-MRXNPFEDSA-N 2 2 371.489 0.833 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNc3ccc(C#N)cn3)C2)CC1 ZINC000734268605 1197741132 /nfs/dbraw/zinc/74/11/32/1197741132.db2.gz VPVOSTDGRRXBPK-MRXNPFEDSA-N 2 2 371.489 0.833 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106309273 1197861000 /nfs/dbraw/zinc/86/10/00/1197861000.db2.gz TXFLYCCEEMHKTL-GDBMZVCRSA-N 2 2 358.442 0.066 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001108575567 1199099019 /nfs/dbraw/zinc/09/90/19/1199099019.db2.gz CWRWLZMFBXEPQE-USXIJHARSA-N 2 2 371.485 0.891 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129390805 1200189196 /nfs/dbraw/zinc/18/91/96/1200189196.db2.gz YGRGUAVJNGTBPB-HBFSDRIKSA-N 2 2 366.469 0.730 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129390805 1200189201 /nfs/dbraw/zinc/18/92/01/1200189201.db2.gz YGRGUAVJNGTBPB-HBFSDRIKSA-N 2 2 366.469 0.730 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646283 1200438850 /nfs/dbraw/zinc/43/88/50/1200438850.db2.gz PWOJXKGABNZGMG-SIXLDLHFSA-N 2 2 372.469 0.814 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646283 1200438851 /nfs/dbraw/zinc/43/88/51/1200438851.db2.gz PWOJXKGABNZGMG-SIXLDLHFSA-N 2 2 372.469 0.814 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CC1 ZINC001219804225 1224624698 /nfs/dbraw/zinc/62/46/98/1224624698.db2.gz PZJIDWAWNWBGLR-FGTMMUONSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CC1 ZINC001219804225 1224624705 /nfs/dbraw/zinc/62/47/05/1224624705.db2.gz PZJIDWAWNWBGLR-FGTMMUONSA-N 2 2 360.433 0.699 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438340 1201316562 /nfs/dbraw/zinc/31/65/62/1201316562.db2.gz RWXWFTYZUFHKDV-MSOLQXFVSA-N 2 2 358.490 0.909 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438340 1201316568 /nfs/dbraw/zinc/31/65/68/1201316568.db2.gz RWXWFTYZUFHKDV-MSOLQXFVSA-N 2 2 358.490 0.909 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140378 1201516022 /nfs/dbraw/zinc/51/60/22/1201516022.db2.gz XIPINVGBBOESDQ-FGTMMUONSA-N 2 2 367.457 0.341 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237707 1201560824 /nfs/dbraw/zinc/56/08/24/1201560824.db2.gz AFHNGNRJIKAKND-KKUMJFAQSA-N 2 2 362.478 0.247 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619417 1202737922 /nfs/dbraw/zinc/73/79/22/1202737922.db2.gz QIZABZMPDZDYIW-XYJFISCASA-N 2 2 366.469 0.787 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772703 1202787866 /nfs/dbraw/zinc/78/78/66/1202787866.db2.gz YCSYWQMUDCXRHY-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772703 1202787869 /nfs/dbraw/zinc/78/78/69/1202787869.db2.gz YCSYWQMUDCXRHY-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3[nH]cc[nH+]3)n2)O1 ZINC001130781208 1202793312 /nfs/dbraw/zinc/79/33/12/1202793312.db2.gz UCSTVTCCYQBYAE-QWHCGFSZSA-N 2 2 359.434 0.773 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130492 1202869265 /nfs/dbraw/zinc/86/92/65/1202869265.db2.gz PSEBIDAWYJDLDJ-HZPDHXFCSA-N 2 2 358.446 0.403 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134049539 1203011527 /nfs/dbraw/zinc/01/15/27/1203011527.db2.gz HQXADVXNLUGRRD-IAGOWNOFSA-N 2 2 365.437 0.849 20 30 FCEDLP C=CCC(F)(F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000815472929 1203039629 /nfs/dbraw/zinc/03/96/29/1203039629.db2.gz VSQWZJFTJXYLIB-UHFFFAOYSA-N 2 2 372.460 0.895 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1c1cnn(C)c1 ZINC001086987616 1204881483 /nfs/dbraw/zinc/88/14/83/1204881483.db2.gz CMZRQROZESZJEQ-FUHWJXTLSA-N 2 2 366.469 0.713 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898161 1205077262 /nfs/dbraw/zinc/07/72/62/1205077262.db2.gz KOJZOPKLTAUKOW-HLIPFELVSA-N 2 2 371.485 0.840 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898161 1205077266 /nfs/dbraw/zinc/07/72/66/1205077266.db2.gz KOJZOPKLTAUKOW-HLIPFELVSA-N 2 2 371.485 0.840 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1 ZINC001093833085 1206126799 /nfs/dbraw/zinc/12/67/99/1206126799.db2.gz QNYQCUDCFGFGMB-OIISXLGYSA-N 2 2 370.501 0.964 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)[C@H](C)C1 ZINC001093833085 1206126805 /nfs/dbraw/zinc/12/68/05/1206126805.db2.gz QNYQCUDCFGFGMB-OIISXLGYSA-N 2 2 370.501 0.964 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574825 1224941185 /nfs/dbraw/zinc/94/11/85/1224941185.db2.gz JDCMTKHLCLAGQV-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220574825 1224941193 /nfs/dbraw/zinc/94/11/93/1224941193.db2.gz JDCMTKHLCLAGQV-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220576991 1224945110 /nfs/dbraw/zinc/94/51/10/1224945110.db2.gz YWFRUHSTKNXKIV-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220576991 1224945116 /nfs/dbraw/zinc/94/51/16/1224945116.db2.gz YWFRUHSTKNXKIV-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135040 1207510640 /nfs/dbraw/zinc/51/06/40/1207510640.db2.gz JTYNEVHFJGYMKE-ZIFCJYIRSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135040 1207510642 /nfs/dbraw/zinc/51/06/42/1207510642.db2.gz JTYNEVHFJGYMKE-ZIFCJYIRSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135038 1207510918 /nfs/dbraw/zinc/51/09/18/1207510918.db2.gz JTYNEVHFJGYMKE-JENIJYKNSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135038 1207510922 /nfs/dbraw/zinc/51/09/22/1207510922.db2.gz JTYNEVHFJGYMKE-JENIJYKNSA-N 2 2 356.470 0.936 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001193849523 1207893576 /nfs/dbraw/zinc/89/35/76/1207893576.db2.gz JXUXMXRDEONJTG-HSALFYBXSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001193849523 1207893579 /nfs/dbraw/zinc/89/35/79/1207893579.db2.gz JXUXMXRDEONJTG-HSALFYBXSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccccc2)C[C@H]1O ZINC001193849523 1207893580 /nfs/dbraw/zinc/89/35/80/1207893580.db2.gz JXUXMXRDEONJTG-HSALFYBXSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccccc2)C[C@H]1O ZINC001193849523 1207893581 /nfs/dbraw/zinc/89/35/81/1207893581.db2.gz JXUXMXRDEONJTG-HSALFYBXSA-N 2 2 371.481 0.714 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000358 1208128329 /nfs/dbraw/zinc/12/83/29/1208128329.db2.gz FMEQGYIXOIRFGF-BRWVUGGUSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000358 1208128332 /nfs/dbraw/zinc/12/83/32/1208128332.db2.gz FMEQGYIXOIRFGF-BRWVUGGUSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000358 1208128341 /nfs/dbraw/zinc/12/83/41/1208128341.db2.gz FMEQGYIXOIRFGF-BRWVUGGUSA-N 2 2 368.522 0.351 20 30 FCEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC1(CO)COC1 ZINC000127428344 1210469217 /nfs/dbraw/zinc/46/92/17/1210469217.db2.gz DIQJRZKIPNNAMD-UHFFFAOYSA-N 2 2 362.474 0.492 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412287 1210733751 /nfs/dbraw/zinc/73/37/51/1210733751.db2.gz MZWWNDFKELMIKY-CAZWYBIWSA-N 3 2 359.518 0.753 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412287 1210733753 /nfs/dbraw/zinc/73/37/53/1210733753.db2.gz MZWWNDFKELMIKY-CAZWYBIWSA-N 3 2 359.518 0.753 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847133 1210992537 /nfs/dbraw/zinc/99/25/37/1210992537.db2.gz JCNHGFDYLXRWIH-VXNCWWDNSA-N 2 2 360.502 0.885 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847133 1210992539 /nfs/dbraw/zinc/99/25/39/1210992539.db2.gz JCNHGFDYLXRWIH-VXNCWWDNSA-N 2 2 360.502 0.885 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001110877235 1211007390 /nfs/dbraw/zinc/00/73/90/1211007390.db2.gz JCVFVSQSBLCDPX-WCXIOVBPSA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001110877235 1211007395 /nfs/dbraw/zinc/00/73/95/1211007395.db2.gz JCVFVSQSBLCDPX-WCXIOVBPSA-N 2 2 357.458 0.782 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643086 1225415513 /nfs/dbraw/zinc/41/55/13/1225415513.db2.gz QZMPSBKYRZGJSY-HZPDHXFCSA-N 2 2 359.474 0.035 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643086 1225415516 /nfs/dbraw/zinc/41/55/16/1225415516.db2.gz QZMPSBKYRZGJSY-HZPDHXFCSA-N 2 2 359.474 0.035 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659813 1225423009 /nfs/dbraw/zinc/42/30/09/1225423009.db2.gz YHDIJAIOZOXZIO-SJLPKXTDSA-N 2 2 371.485 0.743 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659813 1225423015 /nfs/dbraw/zinc/42/30/15/1225423015.db2.gz YHDIJAIOZOXZIO-SJLPKXTDSA-N 2 2 371.485 0.743 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664196 1225424958 /nfs/dbraw/zinc/42/49/58/1225424958.db2.gz JPZNKIMVLTYYHL-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664196 1225424960 /nfs/dbraw/zinc/42/49/60/1225424960.db2.gz JPZNKIMVLTYYHL-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664196 1225424964 /nfs/dbraw/zinc/42/49/64/1225424964.db2.gz JPZNKIMVLTYYHL-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664196 1225424967 /nfs/dbraw/zinc/42/49/67/1225424967.db2.gz JPZNKIMVLTYYHL-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001221789094 1225481362 /nfs/dbraw/zinc/48/13/62/1225481362.db2.gz FTWGELGKFWWHTD-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001221789094 1225481365 /nfs/dbraw/zinc/48/13/65/1225481365.db2.gz FTWGELGKFWWHTD-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001221789094 1225481368 /nfs/dbraw/zinc/48/13/68/1225481368.db2.gz FTWGELGKFWWHTD-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001221789094 1225481372 /nfs/dbraw/zinc/48/13/72/1225481372.db2.gz FTWGELGKFWWHTD-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001221870967 1225514718 /nfs/dbraw/zinc/51/47/18/1225514718.db2.gz PWCJXMYDQCJDOV-QZTJIDSGSA-N 2 2 369.469 0.534 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001221870967 1225514721 /nfs/dbraw/zinc/51/47/21/1225514721.db2.gz PWCJXMYDQCJDOV-QZTJIDSGSA-N 2 2 369.469 0.534 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221870696 1225514492 /nfs/dbraw/zinc/51/44/92/1225514492.db2.gz CJZVMFUIJVRAIN-RTBURBONSA-N 2 2 368.481 0.644 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221870696 1225514496 /nfs/dbraw/zinc/51/44/96/1225514496.db2.gz CJZVMFUIJVRAIN-RTBURBONSA-N 2 2 368.481 0.644 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013561 1225673671 /nfs/dbraw/zinc/67/36/71/1225673671.db2.gz NPTPAHCRMBYKPM-NUJGCVRESA-N 2 2 369.469 0.118 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013561 1225673673 /nfs/dbraw/zinc/67/36/73/1225673673.db2.gz NPTPAHCRMBYKPM-NUJGCVRESA-N 2 2 369.469 0.118 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945488 1216858507 /nfs/dbraw/zinc/85/85/07/1216858507.db2.gz NOCSXOJEQHSTGB-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945488 1216858509 /nfs/dbraw/zinc/85/85/09/1216858509.db2.gz NOCSXOJEQHSTGB-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945488 1216858511 /nfs/dbraw/zinc/85/85/11/1216858511.db2.gz NOCSXOJEQHSTGB-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945488 1216858514 /nfs/dbraw/zinc/85/85/14/1216858514.db2.gz NOCSXOJEQHSTGB-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945514 1216858833 /nfs/dbraw/zinc/85/88/33/1216858833.db2.gz OEKAYGJMABWIIC-KSZLIROESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945514 1216858835 /nfs/dbraw/zinc/85/88/35/1216858835.db2.gz OEKAYGJMABWIIC-KSZLIROESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945514 1216858837 /nfs/dbraw/zinc/85/88/37/1216858837.db2.gz OEKAYGJMABWIIC-KSZLIROESA-N 2 2 358.490 0.621 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945514 1216858839 /nfs/dbraw/zinc/85/88/39/1216858839.db2.gz OEKAYGJMABWIIC-KSZLIROESA-N 2 2 358.490 0.621 20 30 FCEDLP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951269 1225761645 /nfs/dbraw/zinc/76/16/45/1225761645.db2.gz HIQRKHJBJADEAV-LJQANCHMSA-N 2 2 363.506 0.231 20 30 FCEDLP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951269 1225761650 /nfs/dbraw/zinc/76/16/50/1225761650.db2.gz HIQRKHJBJADEAV-LJQANCHMSA-N 2 2 363.506 0.231 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(CC)n3)C[C@@H]2O)CC1 ZINC001043989100 1217787431 /nfs/dbraw/zinc/78/74/31/1217787431.db2.gz NEHNOBONNXWPPZ-SJORKVTESA-N 2 2 371.485 0.358 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600517 1225786437 /nfs/dbraw/zinc/78/64/37/1225786437.db2.gz WWLHZCMBMKZIRP-DJIMGWMZSA-N 2 2 371.485 0.490 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048872743 1218330538 /nfs/dbraw/zinc/33/05/38/1218330538.db2.gz DXJVWEQKRAHBEU-DXWTWGPWSA-N 2 2 369.469 0.690 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048872743 1218330545 /nfs/dbraw/zinc/33/05/45/1218330545.db2.gz DXJVWEQKRAHBEU-DXWTWGPWSA-N 2 2 369.469 0.690 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048872743 1218330549 /nfs/dbraw/zinc/33/05/49/1218330549.db2.gz DXJVWEQKRAHBEU-DXWTWGPWSA-N 2 2 369.469 0.690 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048872743 1218330557 /nfs/dbraw/zinc/33/05/57/1218330557.db2.gz DXJVWEQKRAHBEU-DXWTWGPWSA-N 2 2 369.469 0.690 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001097248512 1218748765 /nfs/dbraw/zinc/74/87/65/1218748765.db2.gz YWMBEUHCSJGDNA-YRXWBPOGSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001097248512 1218748773 /nfs/dbraw/zinc/74/87/73/1218748773.db2.gz YWMBEUHCSJGDNA-YRXWBPOGSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccn(C)c(=O)c1 ZINC001097248512 1218748779 /nfs/dbraw/zinc/74/87/79/1218748779.db2.gz YWMBEUHCSJGDNA-YRXWBPOGSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccn(C)c(=O)c1 ZINC001097248512 1218748786 /nfs/dbraw/zinc/74/87/86/1218748786.db2.gz YWMBEUHCSJGDNA-YRXWBPOGSA-N 2 2 368.481 0.704 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227175060 1225865209 /nfs/dbraw/zinc/86/52/09/1225865209.db2.gz GAVLLEFZZRDNQT-RBSFLKMASA-N 2 2 358.446 0.102 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227165711 1225865269 /nfs/dbraw/zinc/86/52/69/1225865269.db2.gz 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N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331770 1245709395 /nfs/dbraw/zinc/70/93/95/1245709395.db2.gz FZTLKMISKRDTDR-IAGOWNOFSA-N 2 2 358.442 0.194 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000994138286 1250216437 /nfs/dbraw/zinc/21/64/37/1250216437.db2.gz BCRSZINHVNKKEV-NVXWUHKLSA-N 2 2 371.485 0.508 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000939516317 1246082412 /nfs/dbraw/zinc/08/24/12/1246082412.db2.gz YYYXOIDSNFTHFX-GDBMZVCRSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C ZINC000997775204 1251701651 /nfs/dbraw/zinc/70/16/51/1251701651.db2.gz UNUZJCOHIMSBHU-RSJGLCBASA-N 2 2 358.486 0.426 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@@H+]1C ZINC000997775204 1251701655 /nfs/dbraw/zinc/70/16/55/1251701655.db2.gz UNUZJCOHIMSBHU-RSJGLCBASA-N 2 2 358.486 0.426 20 30 FCEDLP 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C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999996463 1252267750 /nfs/dbraw/zinc/26/77/50/1252267750.db2.gz JKRFETURWKYABU-ARFHVFGLSA-N 2 2 353.430 0.691 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001022174787 1253802080 /nfs/dbraw/zinc/80/20/80/1253802080.db2.gz KXPVZILQPBJZRF-OKZBNKHCSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001022174787 1253802103 /nfs/dbraw/zinc/80/21/03/1253802103.db2.gz KXPVZILQPBJZRF-OKZBNKHCSA-N 2 2 369.469 0.348 20 30 FCEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC001035756193 1254063590 /nfs/dbraw/zinc/06/35/90/1254063590.db2.gz UHFHUWCXTNGALM-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2O)CC1 ZINC001078227199 1255339842 /nfs/dbraw/zinc/33/98/42/1255339842.db2.gz NTCIHSQYTFDTDI-IAGOWNOFSA-N 2 2 360.458 0.298 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2O)CC1 ZINC001078227199 1255339851 /nfs/dbraw/zinc/33/98/51/1255339851.db2.gz NTCIHSQYTFDTDI-IAGOWNOFSA-N 2 2 360.458 0.298 20 30 FCEDLP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231489 1255479496 /nfs/dbraw/zinc/47/94/96/1255479496.db2.gz MULCMUDYTYGLHF-KSZLIROESA-N 2 2 363.502 0.833 20 30 FCEDLP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231489 1255479500 /nfs/dbraw/zinc/47/95/00/1255479500.db2.gz MULCMUDYTYGLHF-KSZLIROESA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)CC1 ZINC001080998207 1256133100 /nfs/dbraw/zinc/13/31/00/1256133100.db2.gz WAEPVOCURUYUNK-CRAIPNDOSA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]2C)CC1 ZINC001080998207 1256133103 /nfs/dbraw/zinc/13/31/03/1256133103.db2.gz WAEPVOCURUYUNK-CRAIPNDOSA-N 2 2 358.490 0.580 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083645646 1257463757 /nfs/dbraw/zinc/46/37/57/1257463757.db2.gz LGMSOJWNSVZKHV-MSOLQXFVSA-N 2 2 369.425 0.455 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083645646 1257463764 /nfs/dbraw/zinc/46/37/64/1257463764.db2.gz LGMSOJWNSVZKHV-MSOLQXFVSA-N 2 2 369.425 0.455 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053300 1257867027 /nfs/dbraw/zinc/86/70/27/1257867027.db2.gz YJJOGJMZGQTHME-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053300 1257867039 /nfs/dbraw/zinc/86/70/39/1257867039.db2.gz YJJOGJMZGQTHME-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053300 1257867050 /nfs/dbraw/zinc/86/70/50/1257867050.db2.gz YJJOGJMZGQTHME-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053300 1257867056 /nfs/dbraw/zinc/86/70/56/1257867056.db2.gz YJJOGJMZGQTHME-OIISXLGYSA-N 2 2 358.442 0.180 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@@H]2O)CC1 ZINC001084089648 1257913571 /nfs/dbraw/zinc/91/35/71/1257913571.db2.gz UMUCZPAGBQMBQG-MSOLQXFVSA-N 2 2 360.458 0.298 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@H]2O)CC1 ZINC001084089648 1257913581 /nfs/dbraw/zinc/91/35/81/1257913581.db2.gz UMUCZPAGBQMBQG-MSOLQXFVSA-N 2 2 360.458 0.298 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001084090320 1257916070 /nfs/dbraw/zinc/91/60/70/1257916070.db2.gz URZUFAVRWNMPTL-QGTPRVQTSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001084090320 1257916078 /nfs/dbraw/zinc/91/60/78/1257916078.db2.gz URZUFAVRWNMPTL-QGTPRVQTSA-N 2 2 357.458 0.044 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678277 1258940095 /nfs/dbraw/zinc/94/00/95/1258940095.db2.gz GRKYGHOZEBEJMN-KLHDSHLOSA-N 2 2 359.474 0.510 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC001251035935 1259734787 /nfs/dbraw/zinc/73/47/87/1259734787.db2.gz STLMJFDSLWCIDN-HXUWFJFHSA-N 2 2 358.486 0.805 20 30 FCEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC001326155626 1265071026 /nfs/dbraw/zinc/07/10/26/1265071026.db2.gz FSWHBZNIKNQCFF-IBGZPJMESA-N 2 2 371.485 0.883 20 30 FCEDLP C#CCOCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001341258078 1268899567 /nfs/dbraw/zinc/89/95/67/1268899567.db2.gz NSXQKSRJVCTTGP-UHFFFAOYSA-N 2 2 351.491 0.719 20 30 FCEDLP C#CCOCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001341258078 1268899582 /nfs/dbraw/zinc/89/95/82/1268899582.db2.gz NSXQKSRJVCTTGP-UHFFFAOYSA-N 2 2 351.491 0.719 20 30 FCEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001575215941 1271794533 /nfs/dbraw/zinc/79/45/33/1271794533.db2.gz MRWHVKHNGVNENF-OCCSQVGLSA-N 2 2 351.451 0.203 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588351141 1282447095 /nfs/dbraw/zinc/44/70/95/1282447095.db2.gz GODVCGZKPFCGLK-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588351141 1282447099 /nfs/dbraw/zinc/44/70/99/1282447099.db2.gz GODVCGZKPFCGLK-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001689265570 1294703944 /nfs/dbraw/zinc/70/39/44/1294703944.db2.gz XTQKPBKVFFPYMQ-BZUAXINKSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001689265570 1294703954 /nfs/dbraw/zinc/70/39/54/1294703954.db2.gz XTQKPBKVFFPYMQ-BZUAXINKSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001690133745 1294860280 /nfs/dbraw/zinc/86/02/80/1294860280.db2.gz RTEDICKZFCGFKQ-KRWDZBQOSA-N 2 2 360.506 0.912 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001690133745 1294860288 /nfs/dbraw/zinc/86/02/88/1294860288.db2.gz RTEDICKZFCGFKQ-KRWDZBQOSA-N 2 2 360.506 0.912 20 30 FCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001070965723 837706466 /nfs/dbraw/zinc/70/64/66/837706466.db2.gz PLZXCMXLNIFHPJ-DLBZAZTESA-N 2 2 350.507 0.943 20 30 FCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070965723 837706474 /nfs/dbraw/zinc/70/64/74/837706474.db2.gz PLZXCMXLNIFHPJ-DLBZAZTESA-N 2 2 350.507 0.943 20 30 FCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070965723 837706481 /nfs/dbraw/zinc/70/64/81/837706481.db2.gz PLZXCMXLNIFHPJ-DLBZAZTESA-N 2 2 350.507 0.943 20 30 FCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070965723 837706486 /nfs/dbraw/zinc/70/64/86/837706486.db2.gz PLZXCMXLNIFHPJ-DLBZAZTESA-N 2 2 350.507 0.943 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312951 849094265 /nfs/dbraw/zinc/09/42/65/849094265.db2.gz CCLHLJPCBGSWKF-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312951 849094272 /nfs/dbraw/zinc/09/42/72/849094272.db2.gz CCLHLJPCBGSWKF-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205741407 853631730 /nfs/dbraw/zinc/63/17/30/853631730.db2.gz CTPZQUUUTOMCLF-MSOLQXFVSA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974762 853773492 /nfs/dbraw/zinc/77/34/92/853773492.db2.gz QGMUAIKYZJXYFM-HZPDHXFCSA-N 2 2 350.507 0.990 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974762 853773496 /nfs/dbraw/zinc/77/34/96/853773496.db2.gz QGMUAIKYZJXYFM-HZPDHXFCSA-N 2 2 350.507 0.990 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209135072 853999997 /nfs/dbraw/zinc/99/99/97/853999997.db2.gz WADPGTKSLZAQOV-BRWVUGGUSA-N 2 2 350.507 0.990 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209135072 854000000 /nfs/dbraw/zinc/00/00/00/854000000.db2.gz WADPGTKSLZAQOV-BRWVUGGUSA-N 2 2 350.507 0.990 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497557 854501964 /nfs/dbraw/zinc/50/19/64/854501964.db2.gz PPEUYMPCQWLXRF-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497557 854501969 /nfs/dbraw/zinc/50/19/69/854501969.db2.gz PPEUYMPCQWLXRF-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497557 854501975 /nfs/dbraw/zinc/50/19/75/854501975.db2.gz PPEUYMPCQWLXRF-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497557 854501983 /nfs/dbraw/zinc/50/19/83/854501983.db2.gz PPEUYMPCQWLXRF-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497556 854502386 /nfs/dbraw/zinc/50/23/86/854502386.db2.gz PPEUYMPCQWLXRF-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497556 854502388 /nfs/dbraw/zinc/50/23/88/854502388.db2.gz PPEUYMPCQWLXRF-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497556 854502394 /nfs/dbraw/zinc/50/23/94/854502394.db2.gz PPEUYMPCQWLXRF-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497556 854502399 /nfs/dbraw/zinc/50/23/99/854502399.db2.gz PPEUYMPCQWLXRF-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765050 854758406 /nfs/dbraw/zinc/75/84/06/854758406.db2.gz RRKZBQGBRNTAER-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765050 854758409 /nfs/dbraw/zinc/75/84/09/854758409.db2.gz RRKZBQGBRNTAER-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765050 854758412 /nfs/dbraw/zinc/75/84/12/854758412.db2.gz RRKZBQGBRNTAER-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765050 854758413 /nfs/dbraw/zinc/75/84/13/854758413.db2.gz RRKZBQGBRNTAER-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931658 854831840 /nfs/dbraw/zinc/83/18/40/854831840.db2.gz NLIJIJIZZQUZCL-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931658 854831849 /nfs/dbraw/zinc/83/18/49/854831849.db2.gz NLIJIJIZZQUZCL-KZNAEPCWSA-N 2 2 351.491 0.572 20 30 FCEDLP C[S@](=O)CC[C@H]([NH3+])C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643861 856218750 /nfs/dbraw/zinc/21/87/50/856218750.db2.gz WFAZBCFUXOJXOX-LMKMVOKYSA-N 2 2 362.499 0.757 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489161 873980774 /nfs/dbraw/zinc/98/07/74/873980774.db2.gz UYACJAZQMMEODG-HZPDHXFCSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489161 873980789 /nfs/dbraw/zinc/98/07/89/873980789.db2.gz UYACJAZQMMEODG-HZPDHXFCSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489161 873980797 /nfs/dbraw/zinc/98/07/97/873980797.db2.gz UYACJAZQMMEODG-HZPDHXFCSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489161 873980812 /nfs/dbraw/zinc/98/08/12/873980812.db2.gz UYACJAZQMMEODG-HZPDHXFCSA-N 2 2 350.463 0.363 20 30 FCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1C ZINC000267430473 529806024 /nfs/dbraw/zinc/80/60/24/529806024.db2.gz MNHFIOZIZTTZLF-UHFFFAOYSA-N 2 2 365.482 0.854 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000419860326 246331359 /nfs/dbraw/zinc/33/13/59/246331359.db2.gz ALFAZKWICUBJNX-ZWKOTPCHSA-N 2 2 369.469 0.589 20 30 FCEDLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419913168 246365706 /nfs/dbraw/zinc/36/57/06/246365706.db2.gz YKFKTDNBNYKUHQ-UHFFFAOYSA-N 2 2 357.458 0.318 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)C[NH2+]1 ZINC000423635828 247085821 /nfs/dbraw/zinc/08/58/21/247085821.db2.gz RTQLPHOALGYIES-HZPDHXFCSA-N 2 2 369.469 0.411 20 30 FCEDLP CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261950159 229293344 /nfs/dbraw/zinc/29/33/44/229293344.db2.gz HCTNBRQSPQJASG-UONOGXRCSA-N 2 2 356.496 0.281 20 30 FCEDLP O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000262441836 229306591 /nfs/dbraw/zinc/30/65/91/229306591.db2.gz USIKLQRHTWXWLG-GDBMZVCRSA-N 2 2 352.504 0.475 20 30 FCEDLP COc1cccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000264134572 229325051 /nfs/dbraw/zinc/32/50/51/229325051.db2.gz UWEWFQNYQGMTLY-SFHVURJKSA-N 3 2 363.506 0.925 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000328730232 488933861 /nfs/dbraw/zinc/93/38/61/488933861.db2.gz FZEQDHUZPIKIDX-VGWMRTNUSA-N 2 2 368.478 0.872 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000328730232 488933864 /nfs/dbraw/zinc/93/38/64/488933864.db2.gz FZEQDHUZPIKIDX-VGWMRTNUSA-N 2 2 368.478 0.872 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057878020 488276961 /nfs/dbraw/zinc/27/69/61/488276961.db2.gz KCMWDYJZGRGUBG-UHFFFAOYSA-N 2 2 368.445 0.247 20 30 FCEDLP CN1CC[NH+](CC2(C)CCN(C(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000329449521 489005517 /nfs/dbraw/zinc/00/55/17/489005517.db2.gz OMQNKPOJMYFWCG-UHFFFAOYSA-N 2 2 367.538 0.582 20 30 FCEDLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(C)C1=O ZINC000329465609 489007399 /nfs/dbraw/zinc/00/73/99/489007399.db2.gz VPUYETPOAKTHNA-MRXNPFEDSA-N 2 2 351.495 0.622 20 30 FCEDLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329945955 489053395 /nfs/dbraw/zinc/05/33/95/489053395.db2.gz GBCWAYZWRMFFOX-CVEARBPZSA-N 2 2 364.494 0.733 20 30 FCEDLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329945955 489053399 /nfs/dbraw/zinc/05/33/99/489053399.db2.gz GBCWAYZWRMFFOX-CVEARBPZSA-N 2 2 364.494 0.733 20 30 FCEDLP CC(C)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000330180643 489077163 /nfs/dbraw/zinc/07/71/63/489077163.db2.gz NLZCYCMSHVZAGU-SJORKVTESA-N 2 2 368.522 0.979 20 30 FCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330190128 489078371 /nfs/dbraw/zinc/07/83/71/489078371.db2.gz VXFNAMXDDCLYEY-IAGOWNOFSA-N 2 2 368.522 0.979 20 30 FCEDLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330190128 489078375 /nfs/dbraw/zinc/07/83/75/489078375.db2.gz VXFNAMXDDCLYEY-IAGOWNOFSA-N 2 2 368.522 0.979 20 30 FCEDLP CC(=O)NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330486843 489107606 /nfs/dbraw/zinc/10/76/06/489107606.db2.gz FVVTTYLRHGARSO-INIZCTEOSA-N 2 2 353.511 0.775 20 30 FCEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271589 489228380 /nfs/dbraw/zinc/22/83/80/489228380.db2.gz RWRSZRWAQLWEGW-INIZCTEOSA-N 2 2 352.479 0.154 20 30 FCEDLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420100123 489912241 /nfs/dbraw/zinc/91/22/41/489912241.db2.gz CBBRKWSWNXUGFQ-QAPCUYQASA-N 2 2 369.469 0.459 20 30 FCEDLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521986724 490320990 /nfs/dbraw/zinc/32/09/90/490320990.db2.gz QHWTWNYHOIIWRG-GOSISDBHSA-N 2 2 356.474 0.289 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423012739 490519335 /nfs/dbraw/zinc/51/93/35/490519335.db2.gz LFVQNXQDGCGNIB-QGZVFWFLSA-N 2 2 355.442 0.010 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530229942 490894746 /nfs/dbraw/zinc/89/47/46/490894746.db2.gz BSHMRDMEQBBEKA-KRWDZBQOSA-N 2 2 360.458 0.440 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494615 491448469 /nfs/dbraw/zinc/44/84/69/491448469.db2.gz BBFRTJUGTUAXRG-DZKIICNBSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494615 491448470 /nfs/dbraw/zinc/44/84/70/491448470.db2.gz BBFRTJUGTUAXRG-DZKIICNBSA-N 2 2 362.499 0.895 20 30 FCEDLP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000559184632 491456904 /nfs/dbraw/zinc/45/69/04/491456904.db2.gz ISTVFWFCXJHTKO-MRXNPFEDSA-N 2 2 370.457 0.154 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000580942376 491752477 /nfs/dbraw/zinc/75/24/77/491752477.db2.gz SGUFVJMYZGXGIM-UHFFFAOYSA-N 2 2 356.474 0.291 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591423273 491805274 /nfs/dbraw/zinc/80/52/74/491805274.db2.gz FOIVMEAHNMXWJO-GOSISDBHSA-N 2 2 369.469 0.461 20 30 FCEDLP COCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000591733434 491822930 /nfs/dbraw/zinc/82/29/30/491822930.db2.gz VLBCQEDDBLEISN-UHFFFAOYSA-N 2 2 366.487 0.817 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)cc1 ZINC000595278955 491912037 /nfs/dbraw/zinc/91/20/37/491912037.db2.gz UXBIEPFKMXWUEM-UHFFFAOYSA-N 2 2 369.469 0.590 20 30 FCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000598592554 492106224 /nfs/dbraw/zinc/10/62/24/492106224.db2.gz MDHVMPLUCUVHHS-INIZCTEOSA-N 2 2 374.489 0.736 20 30 FCEDLP CC(=O)NC[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158036 492939205 /nfs/dbraw/zinc/93/92/05/492939205.db2.gz HUYGPMQDJUNUPF-PMACEKPBSA-N 2 2 362.518 0.971 20 30 FCEDLP CC(=O)NC[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158036 492939206 /nfs/dbraw/zinc/93/92/06/492939206.db2.gz HUYGPMQDJUNUPF-PMACEKPBSA-N 2 2 362.518 0.971 20 30 FCEDLP C[C@H]1C[NH+]=C(NCc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)N1 ZINC000262647531 533989886 /nfs/dbraw/zinc/98/98/86/533989886.db2.gz JOKNAMJPBZPMEV-ZDUSSCGKSA-N 2 2 351.476 0.060 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264998393 526357457 /nfs/dbraw/zinc/35/74/57/526357457.db2.gz USLMVYLRFKFMJF-QGZVFWFLSA-N 2 2 351.470 0.926 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000265001001 526357567 /nfs/dbraw/zinc/35/75/67/526357567.db2.gz WCIDQVJOWLCVKK-OAHLLOKOSA-N 2 2 365.547 0.992 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000265001001 526357576 /nfs/dbraw/zinc/35/75/76/526357576.db2.gz WCIDQVJOWLCVKK-OAHLLOKOSA-N 2 2 365.547 0.992 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264998389 526357930 /nfs/dbraw/zinc/35/79/30/526357930.db2.gz USLMVYLRFKFMJF-KRWDZBQOSA-N 2 2 351.470 0.926 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261690110 526359614 /nfs/dbraw/zinc/35/96/14/526359614.db2.gz DZQNAGILEFTANG-HNNXBMFYSA-N 2 2 352.508 0.418 20 30 FCEDLP C[NH+]=C(NC[C@H]1COCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263248669 526378648 /nfs/dbraw/zinc/37/86/48/526378648.db2.gz NZLHKIRGAKEYPN-INIZCTEOSA-N 2 2 354.495 0.602 20 30 FCEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261961269 526380057 /nfs/dbraw/zinc/38/00/57/526380057.db2.gz KGKHNXJUJGMTFB-UHFFFAOYSA-N 2 2 363.510 0.208 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261953661 526389353 /nfs/dbraw/zinc/38/93/53/526389353.db2.gz IDRXVEPMIKPXOA-UHFFFAOYSA-N 2 2 356.496 0.071 20 30 FCEDLP C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262407179 526436790 /nfs/dbraw/zinc/43/67/90/526436790.db2.gz OSKNLQGNPUHPFN-DLBZAZTESA-N 2 2 366.531 0.889 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331291257 526956605 /nfs/dbraw/zinc/95/66/05/526956605.db2.gz KQBGUBSTWKSSEX-UHFFFAOYSA-N 2 2 351.495 0.693 20 30 FCEDLP CCN1CC[NH+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303898605 674572955 /nfs/dbraw/zinc/57/29/55/674572955.db2.gz REQPUALZKXQWRK-UHFFFAOYSA-N 2 2 354.543 0.031 20 30 FCEDLP CCN(CC)C(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303902873 674572996 /nfs/dbraw/zinc/57/29/96/674572996.db2.gz UGNGXBLXEPSUHE-UHFFFAOYSA-N 2 2 368.507 0.190 20 30 FCEDLP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000755719368 667645625 /nfs/dbraw/zinc/64/56/25/667645625.db2.gz BYIVCVULPOXDPW-UHFFFAOYSA-N 2 2 367.523 0.315 20 30 FCEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033904514 667742036 /nfs/dbraw/zinc/74/20/36/667742036.db2.gz USFVDKNRWXSYEB-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033904514 667742041 /nfs/dbraw/zinc/74/20/41/667742041.db2.gz USFVDKNRWXSYEB-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089547 673425501 /nfs/dbraw/zinc/42/55/01/673425501.db2.gz SFJTUSXWZOLTRZ-SJLPKXTDSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089547 673425502 /nfs/dbraw/zinc/42/55/02/673425502.db2.gz SFJTUSXWZOLTRZ-SJLPKXTDSA-N 2 2 366.531 0.591 20 30 FCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000884199842 673436314 /nfs/dbraw/zinc/43/63/14/673436314.db2.gz LYHHCNDJAROZKS-QZOMQWOVSA-N 2 2 364.515 0.450 20 30 FCEDLP C=CCC1(O)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000886755566 673597978 /nfs/dbraw/zinc/59/79/78/673597978.db2.gz MOFHSIOEZFANCR-QGZVFWFLSA-N 2 2 353.507 0.862 20 30 FCEDLP C=CCC1(O)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000886755566 673597979 /nfs/dbraw/zinc/59/79/79/673597979.db2.gz MOFHSIOEZFANCR-QGZVFWFLSA-N 2 2 353.507 0.862 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000328669910 1168527200 /nfs/dbraw/zinc/52/72/00/1168527200.db2.gz FZEQDHUZPIKIDX-CKUJCDMFSA-N 2 2 368.478 0.872 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000328669910 1168527209 /nfs/dbraw/zinc/52/72/09/1168527209.db2.gz FZEQDHUZPIKIDX-CKUJCDMFSA-N 2 2 368.478 0.872 20 30 FCEDLP C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691419332 1171287804 /nfs/dbraw/zinc/28/78/04/1171287804.db2.gz SVXOMCWTGRFYFW-DGCLKSJQSA-N 2 2 353.854 0.981 20 30 FCEDLP C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691419332 1171287810 /nfs/dbraw/zinc/28/78/10/1171287810.db2.gz SVXOMCWTGRFYFW-DGCLKSJQSA-N 2 2 353.854 0.981 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329284557 1179217862 /nfs/dbraw/zinc/21/78/62/1179217862.db2.gz GCQVXODGVPLHFH-ZDUSSCGKSA-N 2 2 370.461 0.636 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329284557 1179217870 /nfs/dbraw/zinc/21/78/70/1179217870.db2.gz GCQVXODGVPLHFH-ZDUSSCGKSA-N 2 2 370.461 0.636 20 30 FCEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104967172 1183025921 /nfs/dbraw/zinc/02/59/21/1183025921.db2.gz MATOYCRUQQUVIA-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645216 1187584314 /nfs/dbraw/zinc/58/43/14/1187584314.db2.gz SJODLOJKXBFTCH-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645216 1187584316 /nfs/dbraw/zinc/58/43/16/1187584316.db2.gz SJODLOJKXBFTCH-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645216 1187584318 /nfs/dbraw/zinc/58/43/18/1187584318.db2.gz SJODLOJKXBFTCH-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645216 1187584319 /nfs/dbraw/zinc/58/43/19/1187584319.db2.gz SJODLOJKXBFTCH-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950270 1189980852 /nfs/dbraw/zinc/98/08/52/1189980852.db2.gz KGJVMOXWNMJCNF-IXDOHACOSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950270 1189980861 /nfs/dbraw/zinc/98/08/61/1189980861.db2.gz KGJVMOXWNMJCNF-IXDOHACOSA-N 2 2 371.485 0.910 20 30 FCEDLP 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C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866749 1190718587 /nfs/dbraw/zinc/71/85/87/1190718587.db2.gz QKHRBTCPNXJHIB-USXIJHARSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829688 1190827253 /nfs/dbraw/zinc/82/72/53/1190827253.db2.gz QUZOCXNRZIYSNQ-IAGOWNOFSA-N 2 2 363.506 0.394 20 30 FCEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829688 1190827256 /nfs/dbraw/zinc/82/72/56/1190827256.db2.gz QUZOCXNRZIYSNQ-IAGOWNOFSA-N 2 2 363.506 0.394 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197053 1224146581 /nfs/dbraw/zinc/14/65/81/1224146581.db2.gz ZBENYGRDFJWUDK-BPQIPLTHSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197053 1224146583 /nfs/dbraw/zinc/14/65/83/1224146583.db2.gz ZBENYGRDFJWUDK-BPQIPLTHSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515525 1194530612 /nfs/dbraw/zinc/53/06/12/1194530612.db2.gz DHEFRJAVHRXELA-CGTJXYLNSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515525 1194530615 /nfs/dbraw/zinc/53/06/15/1194530615.db2.gz DHEFRJAVHRXELA-CGTJXYLNSA-N 2 2 371.485 0.672 20 30 FCEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446122 1195586045 /nfs/dbraw/zinc/58/60/45/1195586045.db2.gz DFTQPVNYZLWETF-UXHICEINSA-N 2 2 358.486 0.978 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033477 1224305504 /nfs/dbraw/zinc/30/55/04/1224305504.db2.gz NTUMGXKPEKZTCM-FGTMMUONSA-N 2 2 367.490 0.069 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033477 1224305512 /nfs/dbraw/zinc/30/55/12/1224305512.db2.gz NTUMGXKPEKZTCM-FGTMMUONSA-N 2 2 367.490 0.069 20 30 FCEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991972234 1196889579 /nfs/dbraw/zinc/88/95/79/1196889579.db2.gz FWNSUPSMDFRBTI-AJYBTWMASA-N 2 2 361.486 0.613 20 30 FCEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991972234 1196889581 /nfs/dbraw/zinc/88/95/81/1196889581.db2.gz FWNSUPSMDFRBTI-AJYBTWMASA-N 2 2 361.486 0.613 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342845 1197871026 /nfs/dbraw/zinc/87/10/26/1197871026.db2.gz GFNFQHMEIBDROP-BZUAXINKSA-N 2 2 359.474 0.432 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419539 1197913286 /nfs/dbraw/zinc/91/32/86/1197913286.db2.gz PQQZFZGAKFZBTM-BZUAXINKSA-N 2 2 367.453 0.770 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543733 1224505313 /nfs/dbraw/zinc/50/53/13/1224505313.db2.gz REWWYYZTMCFIGQ-SJORKVTESA-N 2 2 369.425 0.606 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543733 1224505317 /nfs/dbraw/zinc/50/53/17/1224505317.db2.gz REWWYYZTMCFIGQ-SJORKVTESA-N 2 2 369.425 0.606 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219732365 1224582447 /nfs/dbraw/zinc/58/24/47/1224582447.db2.gz SRLXCDJSLDVZAX-KURKYZTESA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219732365 1224582453 /nfs/dbraw/zinc/58/24/53/1224582453.db2.gz SRLXCDJSLDVZAX-KURKYZTESA-N 2 2 362.449 0.899 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129390806 1200190611 /nfs/dbraw/zinc/19/06/11/1200190611.db2.gz YGRGUAVJNGTBPB-WSTZPKSXSA-N 2 2 366.469 0.730 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129390806 1200190612 /nfs/dbraw/zinc/19/06/12/1200190612.db2.gz YGRGUAVJNGTBPB-WSTZPKSXSA-N 2 2 366.469 0.730 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109397264 1200245258 /nfs/dbraw/zinc/24/52/58/1200245258.db2.gz URGWQDBBGRUHJA-NCOADZHNSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109397264 1200245260 /nfs/dbraw/zinc/24/52/60/1200245260.db2.gz URGWQDBBGRUHJA-NCOADZHNSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001109397264 1200245266 /nfs/dbraw/zinc/24/52/66/1200245266.db2.gz URGWQDBBGRUHJA-NCOADZHNSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001109397264 1200245268 /nfs/dbraw/zinc/24/52/68/1200245268.db2.gz URGWQDBBGRUHJA-NCOADZHNSA-N 2 2 361.490 0.326 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001109581091 1200401106 /nfs/dbraw/zinc/40/11/06/1200401106.db2.gz JCVFVSQSBLCDPX-LTIDMASMSA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001109581091 1200401107 /nfs/dbraw/zinc/40/11/07/1200401107.db2.gz JCVFVSQSBLCDPX-LTIDMASMSA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109985104 1200677018 /nfs/dbraw/zinc/67/70/18/1200677018.db2.gz SXWLLQJOVQOQLB-KMFMINBZSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109985104 1200677027 /nfs/dbraw/zinc/67/70/27/1200677027.db2.gz SXWLLQJOVQOQLB-KMFMINBZSA-N 2 2 357.458 0.785 20 30 FCEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112570372 1200803019 /nfs/dbraw/zinc/80/30/19/1200803019.db2.gz SWDSRGZPNCKOHA-KSSFIOAISA-N 2 2 358.446 0.119 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129917078 1201427141 /nfs/dbraw/zinc/42/71/41/1201427141.db2.gz KWMKLTDMHOHVOI-XHSDSOJGSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918897 1201441073 /nfs/dbraw/zinc/44/10/73/1201441073.db2.gz LJGSZQPFSYKZEB-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022841 1201474926 /nfs/dbraw/zinc/47/49/26/1201474926.db2.gz ORYINPVCRBLVPY-ZACQAIPSSA-N 2 2 371.445 0.117 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130193420 1201531630 /nfs/dbraw/zinc/53/16/30/1201531630.db2.gz XBPBJHAZGSQUDN-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130193420 1201531634 /nfs/dbraw/zinc/53/16/34/1201531634.db2.gz XBPBJHAZGSQUDN-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130193420 1201531636 /nfs/dbraw/zinc/53/16/36/1201531636.db2.gz XBPBJHAZGSQUDN-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193420 1201531639 /nfs/dbraw/zinc/53/16/39/1201531639.db2.gz XBPBJHAZGSQUDN-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001130222753 1201552046 /nfs/dbraw/zinc/55/20/46/1201552046.db2.gz DCFUBEWILWIEHA-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001130222753 1201552052 /nfs/dbraw/zinc/55/20/52/1201552052.db2.gz DCFUBEWILWIEHA-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130249210 1201569445 /nfs/dbraw/zinc/56/94/45/1201569445.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130249210 1201569452 /nfs/dbraw/zinc/56/94/52/1201569452.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001130288259 1201577386 /nfs/dbraw/zinc/57/73/86/1201577386.db2.gz LKAGEWIZJBXUPI-BEFAXECRSA-N 2 2 357.458 0.451 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001130293260 1201579478 /nfs/dbraw/zinc/57/94/78/1201579478.db2.gz POJRWTZISDQAFX-APWZRJJASA-N 2 2 357.458 0.382 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001130305270 1201581756 /nfs/dbraw/zinc/58/17/56/1201581756.db2.gz QIIMYXRHEHKBRU-VPWXQRGCSA-N 2 2 371.485 0.943 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@H+]3C)n2)O1 ZINC001130790241 1202798443 /nfs/dbraw/zinc/79/84/43/1202798443.db2.gz ORKXUQHIKKPHDJ-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3C)n2)O1 ZINC001130790241 1202798445 /nfs/dbraw/zinc/79/84/45/1202798445.db2.gz ORKXUQHIKKPHDJ-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3c[nH+]cc3C)n2)O1 ZINC001130792603 1202800251 /nfs/dbraw/zinc/80/02/51/1202800251.db2.gz MMPHFWLZDZWHKE-UONOGXRCSA-N 2 2 359.434 0.622 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130809290 1202802109 /nfs/dbraw/zinc/80/21/09/1202802109.db2.gz PXWMEMPZQLIQTM-SOUVJXGZSA-N 2 2 362.478 0.594 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131017700 1202843408 /nfs/dbraw/zinc/84/34/08/1202843408.db2.gz HCYMCPKFVFIWLQ-KBAYOESNSA-N 2 2 366.469 0.787 20 30 FCEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610762 1202921247 /nfs/dbraw/zinc/92/12/47/1202921247.db2.gz HWVAUBYJOWDSHX-UXHICEINSA-N 2 2 371.481 0.624 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148305247 1204826583 /nfs/dbraw/zinc/82/65/83/1204826583.db2.gz UMSSBIDKXXXQST-ARFHVFGLSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148305247 1204826585 /nfs/dbraw/zinc/82/65/85/1204826585.db2.gz UMSSBIDKXXXQST-ARFHVFGLSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091748638 1204841350 /nfs/dbraw/zinc/84/13/50/1204841350.db2.gz QZPZNCLCWWABSX-SYNHAJSKSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091748638 1204841351 /nfs/dbraw/zinc/84/13/51/1204841351.db2.gz QZPZNCLCWWABSX-SYNHAJSKSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091748638 1204841355 /nfs/dbraw/zinc/84/13/55/1204841355.db2.gz QZPZNCLCWWABSX-SYNHAJSKSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091748638 1204841357 /nfs/dbraw/zinc/84/13/57/1204841357.db2.gz QZPZNCLCWWABSX-SYNHAJSKSA-N 2 2 358.486 0.143 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cnn(C)c1 ZINC001086985721 1204880297 /nfs/dbraw/zinc/88/02/97/1204880297.db2.gz ZYOBNPCOWKFVMV-DOTOQJQBSA-N 2 2 358.446 0.854 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1 ZINC001087059990 1204945724 /nfs/dbraw/zinc/94/57/24/1204945724.db2.gz GRGMSVHVZPVCSV-BPQIPLTHSA-N 2 2 360.458 0.725 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccon2)[C@H](OCC)C1 ZINC001087059990 1204945730 /nfs/dbraw/zinc/94/57/30/1204945730.db2.gz GRGMSVHVZPVCSV-BPQIPLTHSA-N 2 2 360.458 0.725 20 30 FCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375294 1205277049 /nfs/dbraw/zinc/27/70/49/1205277049.db2.gz JZTNKTSAZOUPQY-OWCLPIDISA-N 2 2 359.474 0.750 20 30 FCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375294 1205277050 /nfs/dbraw/zinc/27/70/50/1205277050.db2.gz JZTNKTSAZOUPQY-OWCLPIDISA-N 2 2 359.474 0.750 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093477799 1206089459 /nfs/dbraw/zinc/08/94/59/1206089459.db2.gz MVYDWDPOLFPJBA-LFGUQSLTSA-N 2 2 358.486 0.952 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093951469 1206157000 /nfs/dbraw/zinc/15/70/00/1206157000.db2.gz KNCPZTBPTNPCGZ-ZACQAIPSSA-N 2 2 359.474 0.744 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161585 1206243487 /nfs/dbraw/zinc/24/34/87/1206243487.db2.gz KMTFCIYVEMHDNI-VUHPKUFZSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161585 1206243494 /nfs/dbraw/zinc/24/34/94/1206243494.db2.gz KMTFCIYVEMHDNI-VUHPKUFZSA-N 2 2 360.502 0.578 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135043 1207510397 /nfs/dbraw/zinc/51/03/97/1207510397.db2.gz JYVTUUHLWSXSNM-SOLBZPMBSA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135043 1207510400 /nfs/dbraw/zinc/51/04/00/1207510400.db2.gz JYVTUUHLWSXSNM-SOLBZPMBSA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787601 1207602778 /nfs/dbraw/zinc/60/27/78/1207602778.db2.gz RFEGUFAQDFQWFP-FUHWJXTLSA-N 2 2 371.485 0.696 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787601 1207602779 /nfs/dbraw/zinc/60/27/79/1207602779.db2.gz RFEGUFAQDFQWFP-FUHWJXTLSA-N 2 2 371.485 0.696 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CC1 ZINC001193781826 1207888688 /nfs/dbraw/zinc/88/86/88/1207888688.db2.gz PZJIDWAWNWBGLR-KURKYZTESA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CC1 ZINC001193781826 1207888689 /nfs/dbraw/zinc/88/86/89/1207888689.db2.gz PZJIDWAWNWBGLR-KURKYZTESA-N 2 2 360.433 0.699 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632207 1209636998 /nfs/dbraw/zinc/63/69/98/1209636998.db2.gz GPHAXTIZFLWZLK-BZSNNMDCSA-N 2 2 362.518 0.777 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632207 1209637002 /nfs/dbraw/zinc/63/70/02/1209637002.db2.gz GPHAXTIZFLWZLK-BZSNNMDCSA-N 2 2 362.518 0.777 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847132 1210992033 /nfs/dbraw/zinc/99/20/33/1210992033.db2.gz JCNHGFDYLXRWIH-VXIBKDFQSA-N 2 2 360.502 0.885 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847132 1210992041 /nfs/dbraw/zinc/99/20/41/1210992041.db2.gz JCNHGFDYLXRWIH-VXIBKDFQSA-N 2 2 360.502 0.885 20 30 FCEDLP C[NH+](C)CCN1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001276280832 1211405403 /nfs/dbraw/zinc/40/54/03/1211405403.db2.gz SLAXCVZRPRVBNV-UHFFFAOYSA-N 2 2 356.470 0.966 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028043 1211802160 /nfs/dbraw/zinc/80/21/60/1211802160.db2.gz FPJYLQUQVXUZHE-HZMVEIRTSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028043 1211802161 /nfs/dbraw/zinc/80/21/61/1211802161.db2.gz FPJYLQUQVXUZHE-HZMVEIRTSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111028043 1211802163 /nfs/dbraw/zinc/80/21/63/1211802163.db2.gz FPJYLQUQVXUZHE-HZMVEIRTSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111028043 1211802165 /nfs/dbraw/zinc/80/21/65/1211802165.db2.gz FPJYLQUQVXUZHE-HZMVEIRTSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179513 1211913826 /nfs/dbraw/zinc/91/38/26/1211913826.db2.gz JZODTWLSENQYPM-TVFCKZIOSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179513 1211913828 /nfs/dbraw/zinc/91/38/28/1211913828.db2.gz JZODTWLSENQYPM-TVFCKZIOSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095800895 1212008191 /nfs/dbraw/zinc/00/81/91/1212008191.db2.gz BXASITPXGIJGBU-GFEQUFNTSA-N 2 2 361.486 0.611 20 30 FCEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095800895 1212008193 /nfs/dbraw/zinc/00/81/93/1212008193.db2.gz BXASITPXGIJGBU-GFEQUFNTSA-N 2 2 361.486 0.611 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284486 1212246344 /nfs/dbraw/zinc/24/63/44/1212246344.db2.gz ZRAIGVSOWZNMLE-SZXPJGKVSA-N 2 2 369.469 0.621 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284486 1212246349 /nfs/dbraw/zinc/24/63/49/1212246349.db2.gz 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KYUIVRBOUJAVOJ-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008944 1216895294 /nfs/dbraw/zinc/89/52/94/1216895294.db2.gz AKNIKJKOSKPQBO-NXHRZFHOSA-N 2 2 369.473 0.963 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008944 1216895297 /nfs/dbraw/zinc/89/52/97/1216895297.db2.gz AKNIKJKOSKPQBO-NXHRZFHOSA-N 2 2 369.473 0.963 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009118 1216895399 /nfs/dbraw/zinc/89/53/99/1216895399.db2.gz KOLYMDVMGYASLU-NXHRZFHOSA-N 2 2 367.457 0.410 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009118 1216895402 /nfs/dbraw/zinc/89/54/02/1216895402.db2.gz KOLYMDVMGYASLU-NXHRZFHOSA-N 2 2 367.457 0.410 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522230 1225712388 /nfs/dbraw/zinc/71/23/88/1225712388.db2.gz NGIOCXPPGFBBNC-KONPQCLYSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522230 1225712390 /nfs/dbraw/zinc/71/23/90/1225712390.db2.gz NGIOCXPPGFBBNC-KONPQCLYSA-N 2 2 369.469 0.196 20 30 FCEDLP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951268 1225761346 /nfs/dbraw/zinc/76/13/46/1225761346.db2.gz HIQRKHJBJADEAV-IBGZPJMESA-N 2 2 363.506 0.231 20 30 FCEDLP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951268 1225761353 /nfs/dbraw/zinc/76/13/53/1225761353.db2.gz HIQRKHJBJADEAV-IBGZPJMESA-N 2 2 363.506 0.231 20 30 FCEDLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233757 1225768328 /nfs/dbraw/zinc/76/83/28/1225768328.db2.gz YCMMMIBYVZPGSM-ZACQAIPSSA-N 2 2 361.490 0.423 20 30 FCEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233757 1225768319 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/nfs/dbraw/zinc/94/03/20/1219940320.db2.gz FFNLVVOPHNWAJO-PXNSSMCTSA-N 2 2 370.501 0.631 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncnn2C)C3)CC1 ZINC001099174290 1219940921 /nfs/dbraw/zinc/94/09/21/1219940921.db2.gz GNKUZDBVXJWNDY-PXNSSMCTSA-N 2 2 370.501 0.631 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncnn2C)C3)CC1 ZINC001099174290 1219940924 /nfs/dbraw/zinc/94/09/24/1219940924.db2.gz GNKUZDBVXJWNDY-PXNSSMCTSA-N 2 2 370.501 0.631 20 30 FCEDLP C#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)nn1 ZINC001099603362 1220029965 /nfs/dbraw/zinc/02/99/65/1220029965.db2.gz CNOXLFASTRHSSU-DNVCBOLYSA-N 2 2 366.469 0.947 20 30 FCEDLP C#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)nn1 ZINC001099603362 1220029970 /nfs/dbraw/zinc/02/99/70/1220029970.db2.gz CNOXLFASTRHSSU-DNVCBOLYSA-N 2 2 366.469 0.947 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281250 1220265742 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QELIAKNRAHWYGS-IAGOWNOFSA-N 2 2 366.506 0.343 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929894 1223874796 /nfs/dbraw/zinc/87/47/96/1223874796.db2.gz QELIAKNRAHWYGS-IAGOWNOFSA-N 2 2 366.506 0.343 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929894 1223874799 /nfs/dbraw/zinc/87/47/99/1223874799.db2.gz QELIAKNRAHWYGS-IAGOWNOFSA-N 2 2 366.506 0.343 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977638 1223880459 /nfs/dbraw/zinc/88/04/59/1223880459.db2.gz QSSIGGUOUCJNFD-RTBURBONSA-N 2 2 359.470 0.584 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977638 1223880460 /nfs/dbraw/zinc/88/04/60/1223880460.db2.gz QSSIGGUOUCJNFD-RTBURBONSA-N 2 2 359.470 0.584 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977638 1223880463 /nfs/dbraw/zinc/88/04/63/1223880463.db2.gz QSSIGGUOUCJNFD-RTBURBONSA-N 2 2 359.470 0.584 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977638 1223880465 /nfs/dbraw/zinc/88/04/65/1223880465.db2.gz QSSIGGUOUCJNFD-RTBURBONSA-N 2 2 359.470 0.584 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672417 1223930833 /nfs/dbraw/zinc/93/08/33/1223930833.db2.gz KCPYEVJOOHHARR-GDBMZVCRSA-N 2 2 359.474 0.501 20 30 FCEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978505361 1248767221 /nfs/dbraw/zinc/76/72/21/1248767221.db2.gz FKNSEXYTOCYKLK-QQXKLLMISA-N 2 2 363.502 0.736 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978505361 1248767229 /nfs/dbraw/zinc/76/72/29/1248767229.db2.gz FKNSEXYTOCYKLK-QQXKLLMISA-N 2 2 363.502 0.736 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1c[nH+]cn1C ZINC000993633201 1249883361 /nfs/dbraw/zinc/88/33/61/1249883361.db2.gz UASDNUGNAJOQDG-NWANDNLSSA-N 2 2 369.429 0.196 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000849059824 1245391601 /nfs/dbraw/zinc/39/16/01/1245391601.db2.gz PZPMHDBHVRFVNV-UHFFFAOYSA-N 2 2 374.533 0.306 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332540 1245709680 /nfs/dbraw/zinc/70/96/80/1245709680.db2.gz KQAZUGOGOKZCHR-IRXDYDNUSA-N 2 2 358.442 0.194 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332540 1245709687 /nfs/dbraw/zinc/70/96/87/1245709687.db2.gz KQAZUGOGOKZCHR-IRXDYDNUSA-N 2 2 358.442 0.194 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC000999422255 1252113133 /nfs/dbraw/zinc/11/31/33/1252113133.db2.gz BVHIJYPMQYRHJZ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC000999422255 1252113139 /nfs/dbraw/zinc/11/31/39/1252113139.db2.gz BVHIJYPMQYRHJZ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC000999422255 1252113142 /nfs/dbraw/zinc/11/31/42/1252113142.db2.gz BVHIJYPMQYRHJZ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC000999422255 1252113145 /nfs/dbraw/zinc/11/31/45/1252113145.db2.gz BVHIJYPMQYRHJZ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C ZINC001003676800 1253056188 /nfs/dbraw/zinc/05/61/88/1253056188.db2.gz NRAMHUFENYNBAR-DZVNLGKHSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C ZINC001003676800 1253056197 /nfs/dbraw/zinc/05/61/97/1253056197.db2.gz NRAMHUFENYNBAR-DZVNLGKHSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001004212321 1253250883 /nfs/dbraw/zinc/25/08/83/1253250883.db2.gz KDGJEHNNNKXSBF-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001004212321 1253250890 /nfs/dbraw/zinc/25/08/90/1253250890.db2.gz KDGJEHNNNKXSBF-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322502 1253989169 /nfs/dbraw/zinc/98/91/69/1253989169.db2.gz HHGFCIBIPSBBQS-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322502 1253989182 /nfs/dbraw/zinc/98/91/82/1253989182.db2.gz HHGFCIBIPSBBQS-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077684518 1254878158 /nfs/dbraw/zinc/87/81/58/1254878158.db2.gz UDBFOSRMGKDMIB-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077684518 1254878160 /nfs/dbraw/zinc/87/81/60/1254878160.db2.gz UDBFOSRMGKDMIB-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077684518 1254878162 /nfs/dbraw/zinc/87/81/62/1254878162.db2.gz UDBFOSRMGKDMIB-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077684518 1254878165 /nfs/dbraw/zinc/87/81/65/1254878165.db2.gz UDBFOSRMGKDMIB-QZTJIDSGSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077888604 1255074546 /nfs/dbraw/zinc/07/45/46/1255074546.db2.gz MBLROIXARWGLBA-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077888604 1255074555 /nfs/dbraw/zinc/07/45/55/1255074555.db2.gz MBLROIXARWGLBA-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174515 1255287252 /nfs/dbraw/zinc/28/72/52/1255287252.db2.gz NRDJSKOBBLBOKE-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174515 1255287261 /nfs/dbraw/zinc/28/72/61/1255287261.db2.gz NRDJSKOBBLBOKE-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174515 1255287265 /nfs/dbraw/zinc/28/72/65/1255287265.db2.gz NRDJSKOBBLBOKE-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174515 1255287268 /nfs/dbraw/zinc/28/72/68/1255287268.db2.gz NRDJSKOBBLBOKE-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC ZINC001081811061 1256391185 /nfs/dbraw/zinc/39/11/85/1256391185.db2.gz DRXATFSIMHNCSZ-HSALFYBXSA-N 2 2 371.481 0.978 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1OC ZINC001081811061 1256391186 /nfs/dbraw/zinc/39/11/86/1256391186.db2.gz DRXATFSIMHNCSZ-HSALFYBXSA-N 2 2 371.481 0.978 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1OC ZINC001081811061 1256391188 /nfs/dbraw/zinc/39/11/88/1256391188.db2.gz DRXATFSIMHNCSZ-HSALFYBXSA-N 2 2 371.481 0.978 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1OC ZINC001081811061 1256391191 /nfs/dbraw/zinc/39/11/91/1256391191.db2.gz DRXATFSIMHNCSZ-HSALFYBXSA-N 2 2 371.481 0.978 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082458280 1256770306 /nfs/dbraw/zinc/77/03/06/1256770306.db2.gz FRZWKXKLSYRNHT-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082458280 1256770310 /nfs/dbraw/zinc/77/03/10/1256770310.db2.gz FRZWKXKLSYRNHT-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084417793 1258099030 /nfs/dbraw/zinc/09/90/30/1258099030.db2.gz FNWSAESXEYJVRE-CEXWTWQISA-N 2 2 368.481 0.516 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084417793 1258099039 /nfs/dbraw/zinc/09/90/39/1258099039.db2.gz FNWSAESXEYJVRE-CEXWTWQISA-N 2 2 368.481 0.516 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084417793 1258099047 /nfs/dbraw/zinc/09/90/47/1258099047.db2.gz FNWSAESXEYJVRE-CEXWTWQISA-N 2 2 368.481 0.516 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084417793 1258099055 /nfs/dbraw/zinc/09/90/55/1258099055.db2.gz FNWSAESXEYJVRE-CEXWTWQISA-N 2 2 368.481 0.516 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)n4)[C@H]3C2)CC1 ZINC001085100423 1258593679 /nfs/dbraw/zinc/59/36/79/1258593679.db2.gz AUEVFFNOYFVTLH-APWZRJJASA-N 2 2 370.501 0.583 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)n4)[C@H]3C2)CC1 ZINC001085100423 1258593685 /nfs/dbraw/zinc/59/36/85/1258593685.db2.gz AUEVFFNOYFVTLH-APWZRJJASA-N 2 2 370.501 0.583 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107077518 1259027801 /nfs/dbraw/zinc/02/78/01/1259027801.db2.gz HALBBIHVSCXHLK-HZPDHXFCSA-N 2 2 360.462 0.329 20 30 FCEDLP C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001128004711 1259189772 /nfs/dbraw/zinc/18/97/72/1259189772.db2.gz DENFGGBQMMEPTE-OWCLPIDISA-N 2 2 358.490 0.552 20 30 FCEDLP C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001128004711 1259189778 /nfs/dbraw/zinc/18/97/78/1259189778.db2.gz DENFGGBQMMEPTE-OWCLPIDISA-N 2 2 358.490 0.552 20 30 FCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122160 1259321048 /nfs/dbraw/zinc/32/10/48/1259321048.db2.gz FFGTTXUKETVCRA-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122160 1259321055 /nfs/dbraw/zinc/32/10/55/1259321055.db2.gz FFGTTXUKETVCRA-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C1 ZINC001233043664 1259543953 /nfs/dbraw/zinc/54/39/53/1259543953.db2.gz DUIPJYWBYBFZDJ-UHFFFAOYSA-N 2 2 359.474 0.889 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C1 ZINC001233043664 1259543957 /nfs/dbraw/zinc/54/39/57/1259543957.db2.gz DUIPJYWBYBFZDJ-UHFFFAOYSA-N 2 2 359.474 0.889 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)/C(C)=C/C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976718 1266270137 /nfs/dbraw/zinc/27/01/37/1266270137.db2.gz RNNCBGZYHUZWGW-YJCQYLIDSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)/C(C)=C/C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976718 1266270145 /nfs/dbraw/zinc/27/01/45/1266270145.db2.gz RNNCBGZYHUZWGW-YJCQYLIDSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(\C)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976718 1266270153 /nfs/dbraw/zinc/27/01/53/1266270153.db2.gz RNNCBGZYHUZWGW-YJCQYLIDSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(\C)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976718 1266270158 /nfs/dbraw/zinc/27/01/58/1266270158.db2.gz RNNCBGZYHUZWGW-YJCQYLIDSA-N 2 2 370.497 0.360 20 30 FCEDLP CC[NH+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001335350722 1259620685 /nfs/dbraw/zinc/62/06/85/1259620685.db2.gz INERHBPOAFCDBW-UHFFFAOYSA-N 2 2 350.488 0.559 20 30 FCEDLP CC[NH+]1CCN([C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001335350980 1259621133 /nfs/dbraw/zinc/62/11/33/1259621133.db2.gz KBXIBKOCBVRQHH-INIZCTEOSA-N 2 2 364.515 0.948 20 30 FCEDLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215717 1260626094 /nfs/dbraw/zinc/62/60/94/1260626094.db2.gz AABZCLAJSZKVMC-JQHSSLGASA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215717 1260626102 /nfs/dbraw/zinc/62/61/02/1260626102.db2.gz AABZCLAJSZKVMC-JQHSSLGASA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215717 1260626108 /nfs/dbraw/zinc/62/61/08/1260626108.db2.gz AABZCLAJSZKVMC-JQHSSLGASA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215717 1260626116 /nfs/dbraw/zinc/62/61/16/1260626116.db2.gz AABZCLAJSZKVMC-JQHSSLGASA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)N4CC[NH+](C)CC4)[C@@H]3C2)cc1C#N ZINC001280303547 1261053026 /nfs/dbraw/zinc/05/30/26/1261053026.db2.gz XBGYAIGCKWAUHU-FUHWJXTLSA-N 2 2 356.474 0.770 20 30 FCEDLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)N4CC[NH+](C)CC4)[C@@H]3C2)cc1C#N ZINC001280303547 1261053034 /nfs/dbraw/zinc/05/30/34/1261053034.db2.gz XBGYAIGCKWAUHU-FUHWJXTLSA-N 2 2 356.474 0.770 20 30 FCEDLP C#CCOCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001319554444 1263706839 /nfs/dbraw/zinc/70/68/39/1263706839.db2.gz AXDSXQGNVAEBTL-UHFFFAOYSA-N 2 2 359.470 0.717 20 30 FCEDLP C#CCOCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001319554444 1263706845 /nfs/dbraw/zinc/70/68/45/1263706845.db2.gz AXDSXQGNVAEBTL-UHFFFAOYSA-N 2 2 359.470 0.717 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001322217521 1264167641 /nfs/dbraw/zinc/16/76/41/1264167641.db2.gz YXKVJYPYCQHLSQ-UHFFFAOYSA-N 2 2 371.485 0.659 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001322217521 1264167644 /nfs/dbraw/zinc/16/76/44/1264167644.db2.gz YXKVJYPYCQHLSQ-UHFFFAOYSA-N 2 2 371.485 0.659 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)CC1 ZINC001574707565 1271498619 /nfs/dbraw/zinc/49/86/19/1271498619.db2.gz WDGAJGAAUWSUIB-QGZVFWFLSA-N 2 2 358.490 0.679 20 30 FCEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)CC1 ZINC001578537140 1275967108 /nfs/dbraw/zinc/96/71/08/1275967108.db2.gz OWSOLUHXBLRRIM-XAUUPUKJSA-N 3 2 354.458 0.911 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351073 1282447455 /nfs/dbraw/zinc/44/74/55/1282447455.db2.gz DRAWSWCGGDWGFZ-CJNGLKHVSA-N 2 2 368.445 0.300 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351073 1282447459 /nfs/dbraw/zinc/44/74/59/1282447459.db2.gz DRAWSWCGGDWGFZ-CJNGLKHVSA-N 2 2 368.445 0.300 20 30 FCEDLP C=CCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001588572914 1282569464 /nfs/dbraw/zinc/56/94/64/1282569464.db2.gz UCCSXGZCNLOTTH-UHFFFAOYSA-N 2 2 370.461 0.856 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007425 838212579 /nfs/dbraw/zinc/21/25/79/838212579.db2.gz MQLCXCWQQKYCLR-BRWVUGGUSA-N 2 2 360.483 0.623 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007425 838212591 /nfs/dbraw/zinc/21/25/91/838212591.db2.gz MQLCXCWQQKYCLR-BRWVUGGUSA-N 2 2 360.483 0.623 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053025 841666916 /nfs/dbraw/zinc/66/69/16/841666916.db2.gz QFYJQCFRYGMOMP-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053025 841666922 /nfs/dbraw/zinc/66/69/22/841666922.db2.gz QFYJQCFRYGMOMP-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053025 841666926 /nfs/dbraw/zinc/66/69/26/841666926.db2.gz QFYJQCFRYGMOMP-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053025 841666931 /nfs/dbraw/zinc/66/69/31/841666931.db2.gz QFYJQCFRYGMOMP-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795504 861613534 /nfs/dbraw/zinc/61/35/34/861613534.db2.gz LKZCNICPIWGMMG-APWZRJJASA-N 2 2 353.507 0.862 20 30 FCEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795504 861613541 /nfs/dbraw/zinc/61/35/41/861613541.db2.gz LKZCNICPIWGMMG-APWZRJJASA-N 2 2 353.507 0.862 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030157 848798267 /nfs/dbraw/zinc/79/82/67/848798267.db2.gz SHSULOKVLSHFDL-OAGGEKHMSA-N 2 2 350.442 0.323 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030157 848798272 /nfs/dbraw/zinc/79/82/72/848798272.db2.gz SHSULOKVLSHFDL-OAGGEKHMSA-N 2 2 350.442 0.323 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316052 849094831 /nfs/dbraw/zinc/09/48/31/849094831.db2.gz ACDLDAYLSOKHOI-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316052 849094838 /nfs/dbraw/zinc/09/48/38/849094838.db2.gz ACDLDAYLSOKHOI-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522331 854650942 /nfs/dbraw/zinc/65/09/42/854650942.db2.gz BEEYTUKPQKRYBK-RCCFBDPRSA-N 2 2 351.491 0.716 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522331 854650944 /nfs/dbraw/zinc/65/09/44/854650944.db2.gz BEEYTUKPQKRYBK-RCCFBDPRSA-N 2 2 351.491 0.716 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655384 854702936 /nfs/dbraw/zinc/70/29/36/854702936.db2.gz OZYJOHHQAQJXOB-QZTJIDSGSA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655384 854702943 /nfs/dbraw/zinc/70/29/43/854702943.db2.gz OZYJOHHQAQJXOB-QZTJIDSGSA-N 2 2 351.491 0.572 20 30 FCEDLP CCn1nnc2c1[C@@H](C(=O)Nc1sc3c(c1C#N)CC[NH2+]C3)C[NH2+]C2 ZINC001218551237 855438238 /nfs/dbraw/zinc/43/82/38/855438238.db2.gz KIAICDIISCHXIQ-NSHDSACASA-N 2 2 357.443 0.702 20 30 FCEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624382 855452581 /nfs/dbraw/zinc/45/25/81/855452581.db2.gz ORGJLDACJNNWDV-OKZBNKHCSA-N 2 2 351.491 0.668 20 30 FCEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624382 855452584 /nfs/dbraw/zinc/45/25/84/855452584.db2.gz ORGJLDACJNNWDV-OKZBNKHCSA-N 2 2 351.491 0.668 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573285966 946791674 /nfs/dbraw/zinc/79/16/74/946791674.db2.gz QGDXEUZYHKNAIV-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573285966 946791677 /nfs/dbraw/zinc/79/16/77/946791677.db2.gz QGDXEUZYHKNAIV-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=[NH2+])NC2CC2)CC1 ZINC000172840250 529776107 /nfs/dbraw/zinc/77/61/07/529776107.db2.gz LHJAVQPJOTVQCS-UHFFFAOYSA-N 2 2 351.476 0.189 20 30 FCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303880455 488892753 /nfs/dbraw/zinc/89/27/53/488892753.db2.gz KGTMVRZBDVUDKN-WBVHZDCISA-N 3 2 355.552 0.583 20 30 FCEDLP C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000328993846 488958662 /nfs/dbraw/zinc/95/86/62/488958662.db2.gz DVYTYYULFDSQKT-HOTGVXAUSA-N 2 2 354.495 0.459 20 30 FCEDLP C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000328993846 488958666 /nfs/dbraw/zinc/95/86/66/488958666.db2.gz DVYTYYULFDSQKT-HOTGVXAUSA-N 2 2 354.495 0.459 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000329058131 488964729 /nfs/dbraw/zinc/96/47/29/488964729.db2.gz MRHQTHKWYIFSNQ-KSZLIROESA-N 2 2 368.522 0.788 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)CC1 ZINC000074132546 488387614 /nfs/dbraw/zinc/38/76/14/488387614.db2.gz ZEYMMMRATOAWER-UHFFFAOYSA-N 2 2 365.522 0.832 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000091592193 488465845 /nfs/dbraw/zinc/46/58/45/488465845.db2.gz HKRBXMZRZXRLGI-IBGZPJMESA-N 2 2 370.501 0.896 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000329420273 489002490 /nfs/dbraw/zinc/00/24/90/489002490.db2.gz HGWSWEVYTPVYMU-UHFFFAOYSA-N 2 2 360.462 0.652 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000329420273 489002492 /nfs/dbraw/zinc/00/24/92/489002492.db2.gz HGWSWEVYTPVYMU-UHFFFAOYSA-N 2 2 360.462 0.652 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000329658038 489024383 /nfs/dbraw/zinc/02/43/83/489024383.db2.gz NERFSLYHYJHXFG-LTIDMASMSA-N 2 2 352.479 0.293 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000329658038 489024385 /nfs/dbraw/zinc/02/43/85/489024385.db2.gz NERFSLYHYJHXFG-LTIDMASMSA-N 2 2 352.479 0.293 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329733232 489031846 /nfs/dbraw/zinc/03/18/46/489031846.db2.gz JMOLVZQISHETPL-XJKSGUPXSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329733232 489031848 /nfs/dbraw/zinc/03/18/48/489031848.db2.gz JMOLVZQISHETPL-XJKSGUPXSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329733232 489031850 /nfs/dbraw/zinc/03/18/50/489031850.db2.gz JMOLVZQISHETPL-XJKSGUPXSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329733232 489031851 /nfs/dbraw/zinc/03/18/51/489031851.db2.gz JMOLVZQISHETPL-XJKSGUPXSA-N 2 2 360.462 0.419 20 30 FCEDLP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000329774085 489035158 /nfs/dbraw/zinc/03/51/58/489035158.db2.gz LXHFUSFNMZZFNM-SJORKVTESA-N 2 2 354.495 0.665 20 30 FCEDLP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000330267881 489085829 /nfs/dbraw/zinc/08/58/29/489085829.db2.gz QTXWNQZIKCHSOQ-ZACQAIPSSA-N 2 2 354.495 0.664 20 30 FCEDLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330540474 489114244 /nfs/dbraw/zinc/11/42/44/489114244.db2.gz VWLLKFPADUGTLQ-HOTGVXAUSA-N 2 2 353.511 0.630 20 30 FCEDLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330540474 489114247 /nfs/dbraw/zinc/11/42/47/489114247.db2.gz VWLLKFPADUGTLQ-HOTGVXAUSA-N 2 2 353.511 0.630 20 30 FCEDLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297963570 489269971 /nfs/dbraw/zinc/26/99/71/489269971.db2.gz XMZROALDJALBKI-UHFFFAOYSA-N 2 2 357.458 0.222 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000362075022 489374192 /nfs/dbraw/zinc/37/41/92/489374192.db2.gz BWPUVIPXAJPPIH-IBGZPJMESA-N 2 2 353.470 0.592 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000362075022 489374195 /nfs/dbraw/zinc/37/41/95/489374195.db2.gz BWPUVIPXAJPPIH-IBGZPJMESA-N 2 2 353.470 0.592 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000371542673 489487690 /nfs/dbraw/zinc/48/76/90/489487690.db2.gz DZSPHKUNEXBGOY-MJGOQNOKSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000371542673 489487691 /nfs/dbraw/zinc/48/76/91/489487691.db2.gz DZSPHKUNEXBGOY-MJGOQNOKSA-N 2 2 372.469 0.712 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422478342 490346672 /nfs/dbraw/zinc/34/66/72/490346672.db2.gz HAIRZQBTSBPWPF-UHFFFAOYSA-N 2 2 351.495 0.527 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422478342 490346679 /nfs/dbraw/zinc/34/66/79/490346679.db2.gz HAIRZQBTSBPWPF-UHFFFAOYSA-N 2 2 351.495 0.527 20 30 FCEDLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423017988 490520464 /nfs/dbraw/zinc/52/04/64/490520464.db2.gz XVBVRVHGFQYHLU-UHFFFAOYSA-N 2 2 357.458 0.270 20 30 FCEDLP CC(=O)N1CC[NH+](Cc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)CC1 ZINC000567263003 491495364 /nfs/dbraw/zinc/49/53/64/491495364.db2.gz KYYMTJRYAKGINT-HXUWFJFHSA-N 2 2 373.501 0.969 20 30 FCEDLP CC(=O)N1CC[NH+](Cc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)CC1 ZINC000567263003 491495366 /nfs/dbraw/zinc/49/53/66/491495366.db2.gz KYYMTJRYAKGINT-HXUWFJFHSA-N 2 2 373.501 0.969 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000580273249 491723992 /nfs/dbraw/zinc/72/39/92/491723992.db2.gz UBZCWMPOHFLZTO-MRXNPFEDSA-N 2 2 359.478 0.224 20 30 FCEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000580435394 491731190 /nfs/dbraw/zinc/73/11/90/491731190.db2.gz XPLINXJEOMGLEG-ZWKOTPCHSA-N 2 2 363.502 0.999 20 30 FCEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(OC)c1 ZINC000580435394 491731191 /nfs/dbraw/zinc/73/11/91/491731191.db2.gz XPLINXJEOMGLEG-ZWKOTPCHSA-N 2 2 363.502 0.999 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586812309 491733277 /nfs/dbraw/zinc/73/32/77/491733277.db2.gz IHUZEBZXHFQQEN-INIZCTEOSA-N 2 2 368.547 0.649 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586812309 491733279 /nfs/dbraw/zinc/73/32/79/491733279.db2.gz IHUZEBZXHFQQEN-INIZCTEOSA-N 2 2 368.547 0.649 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000582503696 491815518 /nfs/dbraw/zinc/81/55/18/491815518.db2.gz SCKGDKBVEQRGOA-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000582503696 491815520 /nfs/dbraw/zinc/81/55/20/491815520.db2.gz SCKGDKBVEQRGOA-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429262 492287922 /nfs/dbraw/zinc/28/79/22/492287922.db2.gz UODJQIMLCWAWKL-SCTDSRPQSA-N 2 2 371.460 0.686 20 30 FCEDLP N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429262 492287923 /nfs/dbraw/zinc/28/79/23/492287923.db2.gz UODJQIMLCWAWKL-SCTDSRPQSA-N 2 2 371.460 0.686 20 30 FCEDLP N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429279 492287998 /nfs/dbraw/zinc/28/79/98/492287998.db2.gz YONKBLWBPSAKCI-HRCADAONSA-N 2 2 359.499 0.608 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671398920 493665870 /nfs/dbraw/zinc/66/58/70/493665870.db2.gz OQGWOMGPBQUWCS-UHFFFAOYSA-N 2 2 356.470 0.885 20 30 FCEDLP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262005837 526356523 /nfs/dbraw/zinc/35/65/23/526356523.db2.gz VOCHDEYDHYJTMC-LSDHHAIUSA-N 2 2 368.507 0.377 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262799682 526360111 /nfs/dbraw/zinc/36/01/11/526360111.db2.gz QUONFKCWBWHMCB-INIZCTEOSA-N 3 2 355.552 0.265 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262806246 526389281 /nfs/dbraw/zinc/38/92/81/526389281.db2.gz SIPYDGKAKFCLHS-AWEZNQCLSA-N 2 2 371.493 0.610 20 30 FCEDLP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262443529 528979955 /nfs/dbraw/zinc/97/99/55/528979955.db2.gz UYOAQZJVCKBIJS-JKSUJKDBSA-N 2 2 354.520 0.723 20 30 FCEDLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000329103595 546542752 /nfs/dbraw/zinc/54/27/52/546542752.db2.gz GERSSURFSMSEBA-KRWDZBQOSA-N 2 2 354.495 0.665 20 30 FCEDLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000329103595 546542754 /nfs/dbraw/zinc/54/27/54/546542754.db2.gz GERSSURFSMSEBA-KRWDZBQOSA-N 2 2 354.495 0.665 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000329701977 546560820 /nfs/dbraw/zinc/56/08/20/546560820.db2.gz HQQDBEYQEJVEEY-BZUAXINKSA-N 2 2 352.479 0.606 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000329701977 546560826 /nfs/dbraw/zinc/56/08/26/546560826.db2.gz HQQDBEYQEJVEEY-BZUAXINKSA-N 2 2 352.479 0.606 20 30 FCEDLP Nc1nc(Cl)c(C=[NH+]NCCC[NH+]2CCOCC2)c(N2CCCC2)n1 ZINC000799488330 669301513 /nfs/dbraw/zinc/30/15/13/669301513.db2.gz CWAFYZIYWDWZMO-UHFFFAOYSA-N 2 2 367.885 0.958 20 30 FCEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042908 676113468 /nfs/dbraw/zinc/11/34/68/676113468.db2.gz KCKQPPGBCBHORM-FGTMMUONSA-N 2 2 350.507 0.500 20 30 FCEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042908 676113470 /nfs/dbraw/zinc/11/34/70/676113470.db2.gz KCKQPPGBCBHORM-FGTMMUONSA-N 2 2 350.507 0.500 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000884228049 673439914 /nfs/dbraw/zinc/43/99/14/673439914.db2.gz HDTCGFCQLKSXAZ-INIZCTEOSA-N 2 2 353.463 0.536 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104366928 1170654826 /nfs/dbraw/zinc/65/48/26/1170654826.db2.gz AEFSYTWVRWPOJL-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC000972256871 1171891561 /nfs/dbraw/zinc/89/15/61/1171891561.db2.gz GCVXILHIANQZNH-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC000972256871 1171891564 /nfs/dbraw/zinc/89/15/64/1171891564.db2.gz GCVXILHIANQZNH-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440791 1178868218 /nfs/dbraw/zinc/86/82/18/1178868218.db2.gz ZPKMHVNHZUSWTO-HZPDHXFCSA-N 2 2 359.474 0.176 20 30 FCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572909 1181347802 /nfs/dbraw/zinc/34/78/02/1181347802.db2.gz WGBIAUSJMPQNOS-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572909 1181347807 /nfs/dbraw/zinc/34/78/07/1181347807.db2.gz WGBIAUSJMPQNOS-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368854 1187690021 /nfs/dbraw/zinc/69/00/21/1187690021.db2.gz YSPHSWKCRBWCHT-SQNIBIBYSA-N 2 2 358.442 0.344 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368854 1187690024 /nfs/dbraw/zinc/69/00/24/1187690024.db2.gz YSPHSWKCRBWCHT-SQNIBIBYSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368854 1187690026 /nfs/dbraw/zinc/69/00/26/1187690026.db2.gz YSPHSWKCRBWCHT-SQNIBIBYSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083368854 1187690028 /nfs/dbraw/zinc/69/00/28/1187690028.db2.gz YSPHSWKCRBWCHT-SQNIBIBYSA-N 2 2 358.442 0.344 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001218298877 1224153058 /nfs/dbraw/zinc/15/30/58/1224153058.db2.gz KMRZRZOOJVDYMX-ZWKOTPCHSA-N 2 2 354.410 0.509 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001218298877 1224153060 /nfs/dbraw/zinc/15/30/60/1224153060.db2.gz KMRZRZOOJVDYMX-ZWKOTPCHSA-N 2 2 354.410 0.509 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581435 1224176953 /nfs/dbraw/zinc/17/69/53/1224176953.db2.gz FRJLAKDOYXSFSI-DLBZAZTESA-N 2 2 366.506 0.274 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581435 1224176956 /nfs/dbraw/zinc/17/69/56/1224176956.db2.gz FRJLAKDOYXSFSI-DLBZAZTESA-N 2 2 366.506 0.274 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076107205 1194309095 /nfs/dbraw/zinc/30/90/95/1194309095.db2.gz MCPOHKJJYHGAKZ-GVDBMIGSSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076107205 1194309100 /nfs/dbraw/zinc/30/91/00/1194309100.db2.gz MCPOHKJJYHGAKZ-GVDBMIGSSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2C2(CCOCC2)C1=O ZINC001218837473 1224235668 /nfs/dbraw/zinc/23/56/68/1224235668.db2.gz CHUPNTOTMFHUSP-HOCLYGCPSA-N 2 2 370.453 0.753 20 30 FCEDLP C=CCN1c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2C2(CCOCC2)C1=O ZINC001218837660 1224235844 /nfs/dbraw/zinc/23/58/44/1224235844.db2.gz GTADVNVSENEBNU-CJNGLKHVSA-N 2 2 370.453 0.895 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007695 1195142376 /nfs/dbraw/zinc/14/23/76/1195142376.db2.gz YKKYESQKYKLACD-XUVXKRRUSA-N 2 2 353.466 0.541 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007695 1195142379 /nfs/dbraw/zinc/14/23/79/1195142379.db2.gz YKKYESQKYKLACD-XUVXKRRUSA-N 2 2 353.466 0.541 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077159174 1195281535 /nfs/dbraw/zinc/28/15/35/1195281535.db2.gz RYBOFAYAMQPXEA-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077159174 1195281544 /nfs/dbraw/zinc/28/15/44/1195281544.db2.gz RYBOFAYAMQPXEA-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077159174 1195281550 /nfs/dbraw/zinc/28/15/50/1195281550.db2.gz RYBOFAYAMQPXEA-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077159174 1195281559 /nfs/dbraw/zinc/28/15/59/1195281559.db2.gz RYBOFAYAMQPXEA-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003053 1224284998 /nfs/dbraw/zinc/28/49/98/1224284998.db2.gz QWFKQPVBJHARBM-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003053 1224285003 /nfs/dbraw/zinc/28/50/03/1224285003.db2.gz QWFKQPVBJHARBM-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1CC ZINC001085229638 1197715861 /nfs/dbraw/zinc/71/58/61/1197715861.db2.gz CDISLQMWVKEXBB-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1CC ZINC001085229638 1197715886 /nfs/dbraw/zinc/71/58/86/1197715886.db2.gz CDISLQMWVKEXBB-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342866 1197871133 /nfs/dbraw/zinc/87/11/33/1197871133.db2.gz GVTSOQJOUIZVOU-VNQPRFMTSA-N 2 2 371.485 0.257 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342866 1197871138 /nfs/dbraw/zinc/87/11/38/1197871138.db2.gz GVTSOQJOUIZVOU-VNQPRFMTSA-N 2 2 371.485 0.257 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001086392369 1198345273 /nfs/dbraw/zinc/34/52/73/1198345273.db2.gz KNVMRQYLUKDTFH-OXGONZEZSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001086392369 1198345287 /nfs/dbraw/zinc/34/52/87/1198345287.db2.gz KNVMRQYLUKDTFH-OXGONZEZSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400616 1200250337 /nfs/dbraw/zinc/25/03/37/1200250337.db2.gz NNPHIXQEAJMMEX-VSZNYVQBSA-N 2 2 361.490 0.737 20 30 FCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400616 1200250344 /nfs/dbraw/zinc/25/03/44/1200250344.db2.gz NNPHIXQEAJMMEX-VSZNYVQBSA-N 2 2 361.490 0.737 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552227 1200780119 /nfs/dbraw/zinc/78/01/19/1200780119.db2.gz NJVQWKFLUKHJTH-VCBZYWHSSA-N 2 2 357.458 0.308 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1n1ccnn1 ZINC001129854928 1201405666 /nfs/dbraw/zinc/40/56/66/1201405666.db2.gz CXQCVNFZRNTIKT-SJORKVTESA-N 2 2 363.425 0.913 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129916757 1201427062 /nfs/dbraw/zinc/42/70/62/1201427062.db2.gz CQQYBXOSKVNHEN-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917608 1201427742 /nfs/dbraw/zinc/42/77/42/1201427742.db2.gz YMJXSUKBUHLGNY-XHSDSOJGSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129919271 1201441680 /nfs/dbraw/zinc/44/16/80/1201441680.db2.gz TVNUYYALRHFGIX-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012131 1201471299 /nfs/dbraw/zinc/47/12/99/1201471299.db2.gz QLBSYVKFSKYQCJ-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130193392 1201532079 /nfs/dbraw/zinc/53/20/79/1201532079.db2.gz VKUAWRHVYADTKC-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130193392 1201532081 /nfs/dbraw/zinc/53/20/81/1201532081.db2.gz VKUAWRHVYADTKC-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193392 1201532083 /nfs/dbraw/zinc/53/20/83/1201532083.db2.gz VKUAWRHVYADTKC-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130193392 1201532085 /nfs/dbraw/zinc/53/20/85/1201532085.db2.gz VKUAWRHVYADTKC-KKUMJFAQSA-N 2 2 360.462 0.001 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237951 1201560023 /nfs/dbraw/zinc/56/00/23/1201560023.db2.gz LRNNVRNEQAMGJR-KKUMJFAQSA-N 2 2 364.494 0.799 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001130248944 1201566927 /nfs/dbraw/zinc/56/69/27/1201566927.db2.gz BHDQFYFPRCQXMW-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001130248944 1201566932 /nfs/dbraw/zinc/56/69/32/1201566932.db2.gz BHDQFYFPRCQXMW-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130249136 1201569028 /nfs/dbraw/zinc/56/90/28/1201569028.db2.gz LOXSFLYEYGJDQH-GJZGRUSLSA-N 2 2 362.478 0.555 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130249136 1201569033 /nfs/dbraw/zinc/56/90/33/1201569033.db2.gz LOXSFLYEYGJDQH-GJZGRUSLSA-N 2 2 362.478 0.555 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130621962 1202738550 /nfs/dbraw/zinc/73/85/50/1202738550.db2.gz JGBPZVIKAURPTA-VDZJLULYSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783206 1202794693 /nfs/dbraw/zinc/79/46/93/1202794693.db2.gz PUTWTFNOVKTLRI-LXTVHRRPSA-N 2 2 360.462 0.204 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783206 1202794695 /nfs/dbraw/zinc/79/46/95/1202794695.db2.gz PUTWTFNOVKTLRI-LXTVHRRPSA-N 2 2 360.462 0.204 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cc[nH+]c3)n2)O1 ZINC001130794056 1202795229 /nfs/dbraw/zinc/79/52/29/1202795229.db2.gz KGDPLLYGIKFSCU-LSDHHAIUSA-N 2 2 371.445 0.541 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131020283 1202846471 /nfs/dbraw/zinc/84/64/71/1202846471.db2.gz PWZSKUUIBPLENZ-KBAYOESNSA-N 2 2 366.469 0.787 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635205 1204791414 /nfs/dbraw/zinc/79/14/14/1204791414.db2.gz HTHFSJIQMRIJHV-GUXCAODWSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635205 1204791418 /nfs/dbraw/zinc/79/14/18/1204791418.db2.gz HTHFSJIQMRIJHV-GUXCAODWSA-N 2 2 371.485 0.910 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985004 1204879494 /nfs/dbraw/zinc/87/94/94/1204879494.db2.gz OYOKUKQZRYOWDA-JCGIZDLHSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1 ZINC001087060292 1204945351 /nfs/dbraw/zinc/94/53/51/1204945351.db2.gz ZGUNRNWXWHKCCN-FGTMMUONSA-N 2 2 371.485 0.527 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccn2)[C@H](OCC)C1 ZINC001087060292 1204945353 /nfs/dbraw/zinc/94/53/53/1204945353.db2.gz ZGUNRNWXWHKCCN-FGTMMUONSA-N 2 2 371.485 0.527 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188656 1206307723 /nfs/dbraw/zinc/30/77/23/1206307723.db2.gz KPKPNJKHNAGOIJ-IKGGRYGDSA-N 2 2 361.490 0.614 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188656 1206307724 /nfs/dbraw/zinc/30/77/24/1206307724.db2.gz KPKPNJKHNAGOIJ-IKGGRYGDSA-N 2 2 361.490 0.614 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403646 1206452645 /nfs/dbraw/zinc/45/26/45/1206452645.db2.gz SJZKQJGEPXQQCN-RBSFLKMASA-N 2 2 358.446 0.466 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999429 1207635785 /nfs/dbraw/zinc/63/57/85/1207635785.db2.gz SRBSHXKFJSYXDP-YQQAZPJKSA-N 2 2 359.474 0.576 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999429 1207635786 /nfs/dbraw/zinc/63/57/86/1207635786.db2.gz SRBSHXKFJSYXDP-YQQAZPJKSA-N 2 2 359.474 0.576 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480801 1207686764 /nfs/dbraw/zinc/68/67/64/1207686764.db2.gz LIHYUDXGZVUJNQ-JKSUJKDBSA-N 2 2 358.446 0.178 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480801 1207686767 /nfs/dbraw/zinc/68/67/67/1207686767.db2.gz LIHYUDXGZVUJNQ-JKSUJKDBSA-N 2 2 358.446 0.178 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309496 1207931208 /nfs/dbraw/zinc/93/12/08/1207931208.db2.gz UIXNBGTYCQEWJF-KBRIMQKVSA-N 2 2 371.441 0.108 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309496 1207931216 /nfs/dbraw/zinc/93/12/16/1207931216.db2.gz UIXNBGTYCQEWJF-KBRIMQKVSA-N 2 2 371.441 0.108 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110658033 1209574452 /nfs/dbraw/zinc/57/44/52/1209574452.db2.gz JUXSEIBCVAFJMV-TVFCKZIOSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110658033 1209574454 /nfs/dbraw/zinc/57/44/54/1209574454.db2.gz JUXSEIBCVAFJMV-TVFCKZIOSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658033 1209574460 /nfs/dbraw/zinc/57/44/60/1209574460.db2.gz JUXSEIBCVAFJMV-TVFCKZIOSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658033 1209574465 /nfs/dbraw/zinc/57/44/65/1209574465.db2.gz JUXSEIBCVAFJMV-TVFCKZIOSA-N 2 2 362.518 0.988 20 30 FCEDLP C#CCN1CCN(C(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880571672 1210551101 /nfs/dbraw/zinc/55/11/01/1210551101.db2.gz SMKYIUAWHWWWCC-LJQANCHMSA-N 2 2 351.454 0.991 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000884098288 1210714511 /nfs/dbraw/zinc/71/45/11/1210714511.db2.gz FYLGYBUUAOFKEC-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000884098288 1210714516 /nfs/dbraw/zinc/71/45/16/1210714516.db2.gz FYLGYBUUAOFKEC-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C[NH+]2CC[C@@H](O)C2)cc1C#N ZINC001275801265 1211285636 /nfs/dbraw/zinc/28/56/36/1211285636.db2.gz NPDKEMGZIRDZRS-SQNIBIBYSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C[NH+]2CC[C@@H](O)C2)cc1C#N ZINC001275801265 1211285641 /nfs/dbraw/zinc/28/56/41/1211285641.db2.gz NPDKEMGZIRDZRS-SQNIBIBYSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)C[N@@H+]2CC[C@@H](O)C2)cc1C#N ZINC001275801265 1211285643 /nfs/dbraw/zinc/28/56/43/1211285643.db2.gz NPDKEMGZIRDZRS-SQNIBIBYSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)C[N@H+]2CC[C@@H](O)C2)cc1C#N ZINC001275801265 1211285645 /nfs/dbraw/zinc/28/56/45/1211285645.db2.gz NPDKEMGZIRDZRS-SQNIBIBYSA-N 2 2 357.458 0.139 20 30 FCEDLP C#CCOc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)cc1 ZINC001276166924 1211369431 /nfs/dbraw/zinc/36/94/31/1211369431.db2.gz QMKYUGALYOYTGS-UHFFFAOYSA-N 2 2 357.454 0.673 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446866 1225316247 /nfs/dbraw/zinc/31/62/47/1225316247.db2.gz XNWMXCLRTNTAIU-BRWVUGGUSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446866 1225316251 /nfs/dbraw/zinc/31/62/51/1225316251.db2.gz XNWMXCLRTNTAIU-BRWVUGGUSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221446866 1225316257 /nfs/dbraw/zinc/31/62/57/1225316257.db2.gz XNWMXCLRTNTAIU-BRWVUGGUSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221446866 1225316259 /nfs/dbraw/zinc/31/62/59/1225316259.db2.gz XNWMXCLRTNTAIU-BRWVUGGUSA-N 2 2 361.490 0.375 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153660 1211902715 /nfs/dbraw/zinc/90/27/15/1211902715.db2.gz PBJXDOCNLFHDKL-VQHPVUNQSA-N 2 2 364.490 0.121 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153660 1211902718 /nfs/dbraw/zinc/90/27/18/1211902718.db2.gz PBJXDOCNLFHDKL-VQHPVUNQSA-N 2 2 364.490 0.121 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406180 1212991994 /nfs/dbraw/zinc/99/19/94/1212991994.db2.gz XPLZXQFNPFNXFX-HZMVEIRTSA-N 2 2 361.490 0.422 20 30 FCEDLP 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C#CC[NH+]1CCN(c2nnc(CCn3cc[nH+]c3C)n2CCOC)CC1 ZINC001122443369 1222274169 /nfs/dbraw/zinc/27/41/69/1222274169.db2.gz IOBWLJBOYAUMCL-UHFFFAOYSA-N 2 2 357.462 0.427 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005165 1223505837 /nfs/dbraw/zinc/50/58/37/1223505837.db2.gz XCMJIIZCYNLEIF-GDBMZVCRSA-N 2 2 360.462 0.390 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005165 1223505840 /nfs/dbraw/zinc/50/58/40/1223505840.db2.gz XCMJIIZCYNLEIF-GDBMZVCRSA-N 2 2 360.462 0.390 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530120 1223553418 /nfs/dbraw/zinc/55/34/18/1223553418.db2.gz GMQJKOOEZDKRLY-IIAWOOMASA-N 2 2 367.494 0.021 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530120 1223553421 /nfs/dbraw/zinc/55/34/21/1223553421.db2.gz GMQJKOOEZDKRLY-IIAWOOMASA-N 2 2 367.494 0.021 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208597883 1223561691 /nfs/dbraw/zinc/56/16/91/1223561691.db2.gz SYNQZZORCXFLBW-SPYBWZPUSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208597883 1223561692 /nfs/dbraw/zinc/56/16/92/1223561692.db2.gz SYNQZZORCXFLBW-SPYBWZPUSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208597883 1223561695 /nfs/dbraw/zinc/56/16/95/1223561695.db2.gz SYNQZZORCXFLBW-SPYBWZPUSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208597883 1223561702 /nfs/dbraw/zinc/56/17/02/1223561702.db2.gz SYNQZZORCXFLBW-SPYBWZPUSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219122 1223770009 /nfs/dbraw/zinc/77/00/09/1223770009.db2.gz BFDDEWGAJNESLZ-HZPDHXFCSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219122 1223770010 /nfs/dbraw/zinc/77/00/10/1223770010.db2.gz BFDDEWGAJNESLZ-HZPDHXFCSA-N 2 2 366.506 0.369 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441627 1223799638 /nfs/dbraw/zinc/79/96/38/1223799638.db2.gz BZMCHKMQCNIHNY-GPMSIDNRSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441627 1223799642 /nfs/dbraw/zinc/79/96/42/1223799642.db2.gz BZMCHKMQCNIHNY-GPMSIDNRSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441627 1223799643 /nfs/dbraw/zinc/79/96/43/1223799643.db2.gz BZMCHKMQCNIHNY-GPMSIDNRSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441627 1223799645 /nfs/dbraw/zinc/79/96/45/1223799645.db2.gz BZMCHKMQCNIHNY-GPMSIDNRSA-N 2 2 369.481 0.664 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632881 1223928157 /nfs/dbraw/zinc/92/81/57/1223928157.db2.gz TXWZPHGNNFJDIT-FRFSOERESA-N 2 2 367.453 0.831 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215741802 1224014963 /nfs/dbraw/zinc/01/49/63/1224014963.db2.gz BHKMORMEPUHBJN-QZTJIDSGSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000976697921 1248343404 /nfs/dbraw/zinc/34/34/04/1248343404.db2.gz JSVLZRHSPCKNNI-KURKYZTESA-N 2 2 371.485 0.833 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000976697921 1248343415 /nfs/dbraw/zinc/34/34/15/1248343415.db2.gz JSVLZRHSPCKNNI-KURKYZTESA-N 2 2 371.485 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000976815954 1248412792 /nfs/dbraw/zinc/41/27/92/1248412792.db2.gz WCBGCJYBGAWLJM-QZTJIDSGSA-N 2 2 371.485 0.841 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000996683688 1251414175 /nfs/dbraw/zinc/41/41/75/1251414175.db2.gz GSORMTXMFTXHDO-BZUAXINKSA-N 2 2 357.458 0.881 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000996683688 1251414182 /nfs/dbraw/zinc/41/41/82/1251414182.db2.gz GSORMTXMFTXHDO-BZUAXINKSA-N 2 2 357.458 0.881 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078005381 1255162138 /nfs/dbraw/zinc/16/21/38/1255162138.db2.gz BQNYIKXNXXEAOG-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078005381 1255162141 /nfs/dbraw/zinc/16/21/41/1255162141.db2.gz BQNYIKXNXXEAOG-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078005381 1255162146 /nfs/dbraw/zinc/16/21/46/1255162146.db2.gz BQNYIKXNXXEAOG-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078005381 1255162150 /nfs/dbraw/zinc/16/21/50/1255162150.db2.gz BQNYIKXNXXEAOG-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231490 1255479965 /nfs/dbraw/zinc/47/99/65/1255479965.db2.gz MULCMUDYTYGLHF-RCCFBDPRSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231490 1255479967 /nfs/dbraw/zinc/47/99/67/1255479967.db2.gz MULCMUDYTYGLHF-RCCFBDPRSA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2OC)CC1 ZINC001082384440 1256736023 /nfs/dbraw/zinc/73/60/23/1256736023.db2.gz WODSLCHRFHZDMX-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2OC)CC1 ZINC001082384440 1256736029 /nfs/dbraw/zinc/73/60/29/1256736029.db2.gz WODSLCHRFHZDMX-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083748989 1257487916 /nfs/dbraw/zinc/48/79/16/1257487916.db2.gz AZGIUXJJVAYNOV-MOPGFXCFSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083748989 1257487920 /nfs/dbraw/zinc/48/79/20/1257487920.db2.gz AZGIUXJJVAYNOV-MOPGFXCFSA-N 2 2 359.445 0.680 20 30 FCEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001104439828 1258918380 /nfs/dbraw/zinc/91/83/80/1258918380.db2.gz UCMJEFNWQOJNPT-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937896 1259000613 /nfs/dbraw/zinc/00/06/13/1259000613.db2.gz HYFKGNXXSGOZQU-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386152 1259071460 /nfs/dbraw/zinc/07/14/60/1259071460.db2.gz JEFBDPURDOJIAH-RDTXWAMCSA-N 2 2 358.446 0.343 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386152 1259071468 /nfs/dbraw/zinc/07/14/68/1259071468.db2.gz JEFBDPURDOJIAH-RDTXWAMCSA-N 2 2 358.446 0.343 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064481 1259303387 /nfs/dbraw/zinc/30/33/87/1259303387.db2.gz HFZMWRGRIJTZBS-ZACQAIPSSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064481 1259303393 /nfs/dbraw/zinc/30/33/93/1259303393.db2.gz HFZMWRGRIJTZBS-ZACQAIPSSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064481 1259303397 /nfs/dbraw/zinc/30/33/97/1259303397.db2.gz HFZMWRGRIJTZBS-ZACQAIPSSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064481 1259303404 /nfs/dbraw/zinc/30/34/04/1259303404.db2.gz HFZMWRGRIJTZBS-ZACQAIPSSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122344 1259320492 /nfs/dbraw/zinc/32/04/92/1259320492.db2.gz LHOUIVLHMYCTET-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122344 1259320504 /nfs/dbraw/zinc/32/05/04/1259320504.db2.gz LHOUIVLHMYCTET-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001337895520 1260513098 /nfs/dbraw/zinc/51/30/98/1260513098.db2.gz RNDSFNRQTIDPBL-OAHLLOKOSA-N 2 2 372.473 0.302 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001337895520 1260513103 /nfs/dbraw/zinc/51/31/03/1260513103.db2.gz RNDSFNRQTIDPBL-OAHLLOKOSA-N 2 2 372.473 0.302 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3nc4c(s3)C[N@H+](C)CC4)n2C)CC1 ZINC001338165192 1260576597 /nfs/dbraw/zinc/57/65/97/1260576597.db2.gz KFAUGOAMRRJVDU-UHFFFAOYSA-N 2 2 357.487 0.682 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3nc4c(s3)C[N@@H+](C)CC4)n2C)CC1 ZINC001338165192 1260576604 /nfs/dbraw/zinc/57/66/04/1260576604.db2.gz KFAUGOAMRRJVDU-UHFFFAOYSA-N 2 2 357.487 0.682 20 30 FCEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308149690 1263215424 /nfs/dbraw/zinc/21/54/24/1263215424.db2.gz FNROQFSTJNOUHW-UHFFFAOYSA-N 2 2 361.490 0.955 20 30 FCEDLP C#CC[N@H+]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001574672622 1271477330 /nfs/dbraw/zinc/47/73/30/1271477330.db2.gz CMRKCMGHCFZAPC-GFCCVEGCSA-N 2 2 352.389 0.531 20 30 FCEDLP C#CC[N@@H+]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001574672622 1271477333 /nfs/dbraw/zinc/47/73/33/1271477333.db2.gz CMRKCMGHCFZAPC-GFCCVEGCSA-N 2 2 352.389 0.531 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001588351563 1282446133 /nfs/dbraw/zinc/44/61/33/1282446133.db2.gz ZGJMLEKKERPDAD-AWEZNQCLSA-N 2 2 373.486 0.622 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001588351563 1282446137 /nfs/dbraw/zinc/44/61/37/1282446137.db2.gz ZGJMLEKKERPDAD-AWEZNQCLSA-N 2 2 373.486 0.622 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001699203779 1289548506 /nfs/dbraw/zinc/54/85/06/1289548506.db2.gz OUBMKGYUNUAKMK-OAGGEKHMSA-N 2 2 359.474 0.749 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001689017595 1294567698 /nfs/dbraw/zinc/56/76/98/1294567698.db2.gz WCDUCFAEHMKVAX-HRCADAONSA-N 2 2 359.474 0.365 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001690133746 1294860540 /nfs/dbraw/zinc/86/05/40/1294860540.db2.gz RTEDICKZFCGFKQ-QGZVFWFLSA-N 2 2 360.506 0.912 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001690133746 1294860545 /nfs/dbraw/zinc/86/05/45/1294860545.db2.gz RTEDICKZFCGFKQ-QGZVFWFLSA-N 2 2 360.506 0.912 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465648 841036756 /nfs/dbraw/zinc/03/67/56/841036756.db2.gz MQLCXCWQQKYCLR-ZACQAIPSSA-N 2 2 360.483 0.623 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465648 841036765 /nfs/dbraw/zinc/03/67/65/841036765.db2.gz MQLCXCWQQKYCLR-ZACQAIPSSA-N 2 2 360.483 0.623 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312950 849093737 /nfs/dbraw/zinc/09/37/37/849093737.db2.gz CCLHLJPCBGSWKF-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312950 849093743 /nfs/dbraw/zinc/09/37/43/849093743.db2.gz CCLHLJPCBGSWKF-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403377 854465262 /nfs/dbraw/zinc/46/52/62/854465262.db2.gz JSSVAIGFBUDQOW-RCCFBDPRSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403377 854465265 /nfs/dbraw/zinc/46/52/65/854465265.db2.gz JSSVAIGFBUDQOW-RCCFBDPRSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403377 854465267 /nfs/dbraw/zinc/46/52/67/854465267.db2.gz JSSVAIGFBUDQOW-RCCFBDPRSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403377 854465270 /nfs/dbraw/zinc/46/52/70/854465270.db2.gz JSSVAIGFBUDQOW-RCCFBDPRSA-N 2 2 351.491 0.715 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001213592550 854678322 /nfs/dbraw/zinc/67/83/22/854678322.db2.gz AJPYMKLAFCYIDN-KZNAEPCWSA-N 2 2 353.507 0.818 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001213592550 854678329 /nfs/dbraw/zinc/67/83/29/854678329.db2.gz AJPYMKLAFCYIDN-KZNAEPCWSA-N 2 2 353.507 0.818 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728812 854739347 /nfs/dbraw/zinc/73/93/47/854739347.db2.gz UEUMGLVVKNMWQZ-HZPDHXFCSA-N 2 2 366.487 0.513 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728812 854739356 /nfs/dbraw/zinc/73/93/56/854739356.db2.gz UEUMGLVVKNMWQZ-HZPDHXFCSA-N 2 2 366.487 0.513 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868361 854800030 /nfs/dbraw/zinc/80/00/30/854800030.db2.gz SZTNGHPNWWDZNF-QZTJIDSGSA-N 2 2 351.491 0.718 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868361 854800037 /nfs/dbraw/zinc/80/00/37/854800037.db2.gz SZTNGHPNWWDZNF-QZTJIDSGSA-N 2 2 351.491 0.718 20 30 FCEDLP CCC(=O)On1nc2c(c1NS(=O)(=O)C1CC[NH2+]CC1)C[NH2+]C2(C)C ZINC001237583174 857455037 /nfs/dbraw/zinc/45/50/37/857455037.db2.gz XXTREHGSUOMFFJ-UHFFFAOYSA-N 2 2 371.463 0.080 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNC(=S)NCCC[NH+]1CCOCC1 ZINC001239378479 857526403 /nfs/dbraw/zinc/52/64/03/857526403.db2.gz ALGXPYJNIDXKHE-HNNXBMFYSA-N 2 2 372.535 0.400 20 30 FCEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001309064693 866738117 /nfs/dbraw/zinc/73/81/17/866738117.db2.gz SMOQHBQTPVPWPH-UHFFFAOYSA-N 2 2 365.503 0.414 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250534 214088087 /nfs/dbraw/zinc/08/80/87/214088087.db2.gz QUUMWRVIJGHDRA-NVXWUHKLSA-N 2 2 357.458 0.959 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250534 214088089 /nfs/dbraw/zinc/08/80/89/214088089.db2.gz QUUMWRVIJGHDRA-NVXWUHKLSA-N 2 2 357.458 0.959 20 30 FCEDLP CN1CC[NH+]=C1NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262656039 529778872 /nfs/dbraw/zinc/77/88/72/529778872.db2.gz LPQQMUYMCFKGKB-UHFFFAOYSA-N 2 2 351.476 0.014 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419859440 246329086 /nfs/dbraw/zinc/32/90/86/246329086.db2.gz JKPIGTHBRDVBQP-KRWDZBQOSA-N 2 2 355.442 0.056 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893954 246356712 /nfs/dbraw/zinc/35/67/12/246356712.db2.gz QPRHMLCKCSHXKF-QGZVFWFLSA-N 2 2 355.442 0.071 20 30 FCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000424142898 247171947 /nfs/dbraw/zinc/17/19/47/247171947.db2.gz IWXJCAXHSDHZPU-AEFFLSMTSA-N 2 2 360.458 0.592 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000328730233 488933766 /nfs/dbraw/zinc/93/37/66/488933766.db2.gz FZEQDHUZPIKIDX-ZNNBLSDJSA-N 2 2 368.478 0.872 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000328730233 488933768 /nfs/dbraw/zinc/93/37/68/488933768.db2.gz FZEQDHUZPIKIDX-ZNNBLSDJSA-N 2 2 368.478 0.872 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000328730233 488933771 /nfs/dbraw/zinc/93/37/71/488933771.db2.gz FZEQDHUZPIKIDX-ZNNBLSDJSA-N 2 2 368.478 0.872 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000328730233 488933774 /nfs/dbraw/zinc/93/37/74/488933774.db2.gz FZEQDHUZPIKIDX-ZNNBLSDJSA-N 2 2 368.478 0.872 20 30 FCEDLP C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000328993845 488958887 /nfs/dbraw/zinc/95/88/87/488958887.db2.gz DVYTYYULFDSQKT-CVEARBPZSA-N 2 2 354.495 0.459 20 30 FCEDLP C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000328993845 488958889 /nfs/dbraw/zinc/95/88/89/488958889.db2.gz DVYTYYULFDSQKT-CVEARBPZSA-N 2 2 354.495 0.459 20 30 FCEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329087193 488967685 /nfs/dbraw/zinc/96/76/85/488967685.db2.gz HGQXOJJSUHNGTI-ZBFHGGJFSA-N 2 2 358.508 0.029 20 30 FCEDLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329087193 488967688 /nfs/dbraw/zinc/96/76/88/488967688.db2.gz HGQXOJJSUHNGTI-ZBFHGGJFSA-N 2 2 358.508 0.029 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2ncccn2)CC1 ZINC000087070816 488453911 /nfs/dbraw/zinc/45/39/11/488453911.db2.gz BBHOIAQXQZMFPY-UHFFFAOYSA-N 2 2 357.466 0.174 20 30 FCEDLP C=CC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000111257350 488528765 /nfs/dbraw/zinc/52/87/65/488528765.db2.gz INSNHMPQYKJLHG-UHFFFAOYSA-N 2 2 369.473 0.910 20 30 FCEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000264348216 488666177 /nfs/dbraw/zinc/66/61/77/488666177.db2.gz BTOPZABBRGACOZ-IBGZPJMESA-N 2 2 355.486 0.886 20 30 FCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000264348216 488666180 /nfs/dbraw/zinc/66/61/80/488666180.db2.gz BTOPZABBRGACOZ-IBGZPJMESA-N 2 2 355.486 0.886 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154919323 488748748 /nfs/dbraw/zinc/74/87/48/488748748.db2.gz GHWYDAPQRPIFHC-UHFFFAOYSA-N 2 2 371.485 0.772 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154919323 488748750 /nfs/dbraw/zinc/74/87/50/488748750.db2.gz GHWYDAPQRPIFHC-UHFFFAOYSA-N 2 2 371.485 0.772 20 30 FCEDLP C[NH+](C)C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000329176002 488977447 /nfs/dbraw/zinc/97/74/47/488977447.db2.gz MQZCETJLEONLJM-INIZCTEOSA-N 2 2 366.466 0.023 20 30 FCEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329283274 488989633 /nfs/dbraw/zinc/98/96/33/488989633.db2.gz FRVGTCNVZBBVRD-HNNXBMFYSA-N 2 2 359.478 0.339 20 30 FCEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329283274 488989635 /nfs/dbraw/zinc/98/96/35/488989635.db2.gz FRVGTCNVZBBVRD-HNNXBMFYSA-N 2 2 359.478 0.339 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000329947588 489053560 /nfs/dbraw/zinc/05/35/60/489053560.db2.gz YKVJRPAFTIOCIJ-IAGOWNOFSA-N 2 2 366.506 0.950 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000329947588 489053561 /nfs/dbraw/zinc/05/35/61/489053561.db2.gz YKVJRPAFTIOCIJ-IAGOWNOFSA-N 2 2 366.506 0.950 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)o1 ZINC000365381877 489070042 /nfs/dbraw/zinc/07/00/42/489070042.db2.gz VLGRBDWBSIOQMW-INIZCTEOSA-N 2 2 374.489 0.919 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)o1 ZINC000365381877 489070044 /nfs/dbraw/zinc/07/00/44/489070044.db2.gz VLGRBDWBSIOQMW-INIZCTEOSA-N 2 2 374.489 0.919 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330203016 489080049 /nfs/dbraw/zinc/08/00/49/489080049.db2.gz AKZVEOGOGHTFMS-HOTGVXAUSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330203016 489080051 /nfs/dbraw/zinc/08/00/51/489080051.db2.gz AKZVEOGOGHTFMS-HOTGVXAUSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330203019 489080143 /nfs/dbraw/zinc/08/01/43/489080143.db2.gz AKZVEOGOGHTFMS-HZPDHXFCSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330203019 489080144 /nfs/dbraw/zinc/08/01/44/489080144.db2.gz AKZVEOGOGHTFMS-HZPDHXFCSA-N 2 2 354.495 0.806 20 30 FCEDLP COc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000281574001 489088025 /nfs/dbraw/zinc/08/80/25/489088025.db2.gz CTKOOBAHAAEIJM-KRWDZBQOSA-N 2 2 358.442 0.590 20 30 FCEDLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330532478 489113400 /nfs/dbraw/zinc/11/34/00/489113400.db2.gz PXFCHXQASCXMFO-PMPSAXMXSA-N 2 2 369.510 0.009 20 30 FCEDLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330532478 489113402 /nfs/dbraw/zinc/11/34/02/489113402.db2.gz PXFCHXQASCXMFO-PMPSAXMXSA-N 2 2 369.510 0.009 20 30 FCEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000331318025 489197689 /nfs/dbraw/zinc/19/76/89/489197689.db2.gz GOSBBAGXYDJMSS-CVEARBPZSA-N 2 2 353.511 0.869 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000286410145 489388935 /nfs/dbraw/zinc/38/89/35/489388935.db2.gz FDQSWPNQMLPBDF-UHFFFAOYSA-N 2 2 371.485 0.887 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349829 489479495 /nfs/dbraw/zinc/47/94/95/489479495.db2.gz MWAYHWDNKDKABU-UHFFFAOYSA-N 2 2 351.495 0.489 20 30 FCEDLP CN(c1ccc(C#N)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520269598 490125372 /nfs/dbraw/zinc/12/53/72/490125372.db2.gz DIIHULLIUCSDHU-UHFFFAOYSA-N 2 2 356.474 0.628 20 30 FCEDLP CN(c1nccc(C#N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000450326470 490461645 /nfs/dbraw/zinc/46/16/45/490461645.db2.gz HVTOUGIATULINP-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP C[C@@H]1C[N@@H+](C[C@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000484900438 490476792 /nfs/dbraw/zinc/47/67/92/490476792.db2.gz VMNQKMZVKYKCOZ-FGTMMUONSA-N 2 2 354.495 0.004 20 30 FCEDLP C[C@@H]1C[N@H+](C[C@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000484900438 490476796 /nfs/dbraw/zinc/47/67/96/490476796.db2.gz VMNQKMZVKYKCOZ-FGTMMUONSA-N 2 2 354.495 0.004 20 30 FCEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423038849 490527576 /nfs/dbraw/zinc/52/75/76/490527576.db2.gz PKZJILPPTRQCKS-UHFFFAOYSA-N 2 2 355.442 0.024 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423038849 490527579 /nfs/dbraw/zinc/52/75/79/490527579.db2.gz PKZJILPPTRQCKS-UHFFFAOYSA-N 2 2 355.442 0.024 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)CC1 ZINC000564907888 491335404 /nfs/dbraw/zinc/33/54/04/491335404.db2.gz HYVZDNOVEMUUSC-INIZCTEOSA-N 2 2 371.551 0.815 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)CC1 ZINC000564907888 491335407 /nfs/dbraw/zinc/33/54/07/491335407.db2.gz HYVZDNOVEMUUSC-INIZCTEOSA-N 2 2 371.551 0.815 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515522135 490830398 /nfs/dbraw/zinc/83/03/98/490830398.db2.gz XBAHMZORNFVHAB-CVEARBPZSA-N 2 2 374.464 0.950 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000530230980 490894771 /nfs/dbraw/zinc/89/47/71/490894771.db2.gz KYJVUFJVWVVYIR-MOPGFXCFSA-N 2 2 374.485 0.294 20 30 FCEDLP Cn1cc[nH+]c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000561300455 491595350 /nfs/dbraw/zinc/59/53/50/491595350.db2.gz QTXDTVDQHDXKQV-UHFFFAOYSA-N 2 2 368.441 0.498 20 30 FCEDLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595989236 491969329 /nfs/dbraw/zinc/96/93/29/491969329.db2.gz RBWZTGPMHZPBLB-UHFFFAOYSA-N 2 2 357.458 0.398 20 30 FCEDLP CN(c1cc(C#N)cnn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000596120775 491976431 /nfs/dbraw/zinc/97/64/31/491976431.db2.gz LVHCOSXTLGKFES-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000611429263 492288104 /nfs/dbraw/zinc/28/81/04/492288104.db2.gz UODJQIMLCWAWKL-ZHALLVOQSA-N 2 2 371.460 0.686 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261738475 526359441 /nfs/dbraw/zinc/35/94/41/526359441.db2.gz MFPNTYORKWRGPM-INIZCTEOSA-N 3 2 355.552 0.265 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261738477 526359490 /nfs/dbraw/zinc/35/94/90/526359490.db2.gz MFPNTYORKWRGPM-MRXNPFEDSA-N 3 2 355.552 0.265 20 30 FCEDLP C[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000328978676 546527713 /nfs/dbraw/zinc/52/77/13/546527713.db2.gz XCXTWVJGPSUHFS-OAHLLOKOSA-N 2 2 350.467 0.439 20 30 FCEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330313551 568231971 /nfs/dbraw/zinc/23/19/71/568231971.db2.gz XGLSCMNNNUUTJA-AWEZNQCLSA-N 2 2 362.434 0.220 20 30 FCEDLP CC(C)CNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303907954 674572962 /nfs/dbraw/zinc/57/29/62/674572962.db2.gz XGTRATCUSZPUST-UHFFFAOYSA-N 2 2 368.507 0.094 20 30 FCEDLP CN(c1ccccc1C=[NH+]NC(=S)NCC(N)=O)C1CC[NH+](C)CC1 ZINC000731928924 666848457 /nfs/dbraw/zinc/84/84/57/666848457.db2.gz XMIZSIIUCQAUQC-UHFFFAOYSA-N 2 2 362.503 0.500 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000836247642 670040475 /nfs/dbraw/zinc/04/04/75/670040475.db2.gz AWLKCVIPJHLWJW-KRWDZBQOSA-N 2 2 354.520 0.449 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000836247642 670040477 /nfs/dbraw/zinc/04/04/77/670040477.db2.gz AWLKCVIPJHLWJW-KRWDZBQOSA-N 2 2 354.520 0.449 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCSCC3)=[NH+]C[C@@H]2C1 ZINC000849086942 671317053 /nfs/dbraw/zinc/31/70/53/671317053.db2.gz IMUHVJHSZDPTSX-CQSZACIVSA-N 2 2 369.535 0.916 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001691363548 1171208321 /nfs/dbraw/zinc/20/83/21/1171208321.db2.gz HPECERRTJIVCPW-CVEARBPZSA-N 2 2 361.490 0.872 20 30 FCEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506142 1179823483 /nfs/dbraw/zinc/82/34/83/1179823483.db2.gz IEJOAQOIUKQNRX-QRVBRYPASA-N 2 2 363.502 0.718 20 30 FCEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506142 1179823487 /nfs/dbraw/zinc/82/34/87/1179823487.db2.gz IEJOAQOIUKQNRX-QRVBRYPASA-N 2 2 363.502 0.718 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001087251343 1180101396 /nfs/dbraw/zinc/10/13/96/1180101396.db2.gz PYMWTNNENFWOST-IXDOHACOSA-N 2 2 359.474 0.887 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104908567 1182990422 /nfs/dbraw/zinc/99/04/22/1182990422.db2.gz BSHDUYZRPGZPQV-HUUCEWRRSA-N 2 2 359.474 0.511 20 30 FCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668142 1189713329 /nfs/dbraw/zinc/71/33/29/1189713329.db2.gz FQHWQTIALPBYKT-HCXYKTFWSA-N 2 2 363.502 0.859 20 30 FCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668142 1189713342 /nfs/dbraw/zinc/71/33/42/1189713342.db2.gz FQHWQTIALPBYKT-HCXYKTFWSA-N 2 2 363.502 0.859 20 30 FCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668386 1189715342 /nfs/dbraw/zinc/71/53/42/1189715342.db2.gz TWZQKSSRRXHMSF-HCXYKTFWSA-N 2 2 363.502 0.859 20 30 FCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668386 1189715362 /nfs/dbraw/zinc/71/53/62/1189715362.db2.gz TWZQKSSRRXHMSF-HCXYKTFWSA-N 2 2 363.502 0.859 20 30 FCEDLP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001218035927 1224136288 /nfs/dbraw/zinc/13/62/88/1224136288.db2.gz MBIJJCXWNHIRDX-BYCMXARLSA-N 2 2 361.398 0.150 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)CC1 ZINC001076604410 1194592624 /nfs/dbraw/zinc/59/26/24/1194592624.db2.gz DKPSGNSWLQDOED-ZWKOTPCHSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)CC1 ZINC001076604410 1194592627 /nfs/dbraw/zinc/59/26/27/1194592627.db2.gz DKPSGNSWLQDOED-ZWKOTPCHSA-N 2 2 355.486 0.798 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052321 1224321354 /nfs/dbraw/zinc/32/13/54/1224321354.db2.gz TTXBEKVIILEIQP-VQTJNVASSA-N 2 2 371.481 0.923 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052321 1224321361 /nfs/dbraw/zinc/32/13/61/1224321361.db2.gz TTXBEKVIILEIQP-VQTJNVASSA-N 2 2 371.481 0.923 20 30 FCEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(=O)n(C)c1=O ZINC000593693034 1196814274 /nfs/dbraw/zinc/81/42/74/1196814274.db2.gz MLLLJUKHPHYIKS-UHFFFAOYSA-N 2 2 367.453 0.710 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)[C@@H]2C)CC1 ZINC001089059974 1196879632 /nfs/dbraw/zinc/87/96/32/1196879632.db2.gz LNLYNAOLAPLVBP-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)[C@@H]2C)CC1 ZINC001089059974 1196879635 /nfs/dbraw/zinc/87/96/35/1196879635.db2.gz LNLYNAOLAPLVBP-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342865 1197871301 /nfs/dbraw/zinc/87/13/01/1197871301.db2.gz GVTSOQJOUIZVOU-FVQBIDKESA-N 2 2 371.485 0.257 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342865 1197871303 /nfs/dbraw/zinc/87/13/03/1197871303.db2.gz GVTSOQJOUIZVOU-FVQBIDKESA-N 2 2 371.485 0.257 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464376 1197945269 /nfs/dbraw/zinc/94/52/69/1197945269.db2.gz WFCNQLAIOHKMAU-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016563 1200705523 /nfs/dbraw/zinc/70/55/23/1200705523.db2.gz ULIGWCQEJSXVCX-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016563 1200705532 /nfs/dbraw/zinc/70/55/32/1200705532.db2.gz ULIGWCQEJSXVCX-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016563 1200705551 /nfs/dbraw/zinc/70/55/51/1200705551.db2.gz ULIGWCQEJSXVCX-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016563 1200705559 /nfs/dbraw/zinc/70/55/59/1200705559.db2.gz ULIGWCQEJSXVCX-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CC1 ZINC001086624920 1201396397 /nfs/dbraw/zinc/39/63/97/1201396397.db2.gz AYIMALWGWHGUHW-RBUKOAKNSA-N 2 2 368.481 0.401 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CC1 ZINC001086624920 1201396400 /nfs/dbraw/zinc/39/64/00/1201396400.db2.gz AYIMALWGWHGUHW-RBUKOAKNSA-N 2 2 368.481 0.401 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001129864338 1201407768 /nfs/dbraw/zinc/40/77/68/1201407768.db2.gz WLMWBICFBHSCAN-SJORKVTESA-N 2 2 367.457 0.418 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219896767 1224672819 /nfs/dbraw/zinc/67/28/19/1224672819.db2.gz IKGABYHHGABJLJ-CVEARBPZSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219896767 1224672824 /nfs/dbraw/zinc/67/28/24/1224672824.db2.gz IKGABYHHGABJLJ-CVEARBPZSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896767 1224672825 /nfs/dbraw/zinc/67/28/25/1224672825.db2.gz IKGABYHHGABJLJ-CVEARBPZSA-N 2 2 366.506 0.079 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896767 1224672830 /nfs/dbraw/zinc/67/28/30/1224672830.db2.gz IKGABYHHGABJLJ-CVEARBPZSA-N 2 2 366.506 0.079 20 30 FCEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109747 1201502715 /nfs/dbraw/zinc/50/27/15/1201502715.db2.gz FAJYZVSBWKUZAB-SJORKVTESA-N 2 2 357.462 0.952 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130192929 1201530557 /nfs/dbraw/zinc/53/05/57/1201530557.db2.gz BHZTVLXALOGMOX-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130192929 1201530561 /nfs/dbraw/zinc/53/05/61/1201530561.db2.gz BHZTVLXALOGMOX-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130192929 1201530567 /nfs/dbraw/zinc/53/05/67/1201530567.db2.gz BHZTVLXALOGMOX-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130192929 1201530572 /nfs/dbraw/zinc/53/05/72/1201530572.db2.gz BHZTVLXALOGMOX-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130193468 1201531411 /nfs/dbraw/zinc/53/14/11/1201531411.db2.gz ZETIEBPHXVSYSH-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130193468 1201531416 /nfs/dbraw/zinc/53/14/16/1201531416.db2.gz ZETIEBPHXVSYSH-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130193468 1201531421 /nfs/dbraw/zinc/53/14/21/1201531421.db2.gz ZETIEBPHXVSYSH-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193468 1201531424 /nfs/dbraw/zinc/53/14/24/1201531424.db2.gz ZETIEBPHXVSYSH-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC[NH+](C)C)n[nH]1 ZINC001130247236 1201567357 /nfs/dbraw/zinc/56/73/57/1201567357.db2.gz ZRRXVBJXAFBBSJ-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001130287925 1201577295 /nfs/dbraw/zinc/57/72/95/1201577295.db2.gz GAOVJSZNFWCWAS-UZLBHIALSA-N 2 2 371.485 0.841 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739939 1202771744 /nfs/dbraw/zinc/77/17/44/1202771744.db2.gz WOCSLPWDMDVKKE-DOTOQJQBSA-N 2 2 358.446 0.403 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3([NH+](C)C)CCC3)n[nH]2)O1 ZINC001130787491 1202796986 /nfs/dbraw/zinc/79/69/86/1202796986.db2.gz VCKVITJUBGSEQE-UONOGXRCSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3c[nH+]cc3C)n2)O1 ZINC001130792491 1202800143 /nfs/dbraw/zinc/80/01/43/1202800143.db2.gz HDCDCMAUUSPQFQ-UONOGXRCSA-N 2 2 357.418 0.069 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130808992 1202801872 /nfs/dbraw/zinc/80/18/72/1202801872.db2.gz BBSWMDWJBAUOMR-SOUVJXGZSA-N 2 2 362.478 0.594 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809409 1202802292 /nfs/dbraw/zinc/80/22/92/1202802292.db2.gz WWGSCJHIZKJWHF-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809409 1202802295 /nfs/dbraw/zinc/80/22/95/1202802295.db2.gz WWGSCJHIZKJWHF-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984852 1204879648 /nfs/dbraw/zinc/87/96/48/1204879648.db2.gz HSBDNJWCWWDXJS-JCGIZDLHSA-N 2 2 354.458 0.949 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092198973 1205195550 /nfs/dbraw/zinc/19/55/50/1205195550.db2.gz FCKQBRPFZUEQPI-SYNHAJSKSA-N 2 2 371.485 0.530 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092198973 1205195560 /nfs/dbraw/zinc/19/55/60/1205195560.db2.gz FCKQBRPFZUEQPI-SYNHAJSKSA-N 2 2 371.485 0.530 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001092689571 1205347796 /nfs/dbraw/zinc/34/77/96/1205347796.db2.gz MNJUNSZFVYFWBS-NUJGCVRESA-N 2 2 371.485 0.767 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001092689571 1205347801 /nfs/dbraw/zinc/34/78/01/1205347801.db2.gz MNJUNSZFVYFWBS-NUJGCVRESA-N 2 2 371.485 0.767 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001092689571 1205347804 /nfs/dbraw/zinc/34/78/04/1205347804.db2.gz MNJUNSZFVYFWBS-NUJGCVRESA-N 2 2 371.485 0.767 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001092689571 1205347806 /nfs/dbraw/zinc/34/78/06/1205347806.db2.gz MNJUNSZFVYFWBS-NUJGCVRESA-N 2 2 371.485 0.767 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001092689243 1205347939 /nfs/dbraw/zinc/34/79/39/1205347939.db2.gz GMEWMSDZSAJDLW-INMHGKMJSA-N 2 2 360.458 0.965 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001092689243 1205347940 /nfs/dbraw/zinc/34/79/40/1205347940.db2.gz GMEWMSDZSAJDLW-INMHGKMJSA-N 2 2 360.458 0.965 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(OC)no2)C[C@H]1C ZINC001092689243 1205347941 /nfs/dbraw/zinc/34/79/41/1205347941.db2.gz GMEWMSDZSAJDLW-INMHGKMJSA-N 2 2 360.458 0.965 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(OC)no2)C[C@H]1C ZINC001092689243 1205347942 /nfs/dbraw/zinc/34/79/42/1205347942.db2.gz GMEWMSDZSAJDLW-INMHGKMJSA-N 2 2 360.458 0.965 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093477796 1206089653 /nfs/dbraw/zinc/08/96/53/1206089653.db2.gz MVYDWDPOLFPJBA-HNBVOPMISA-N 2 2 358.486 0.952 20 30 FCEDLP C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783038 1206246889 /nfs/dbraw/zinc/24/68/89/1206246889.db2.gz JZDHYVICEXGAPO-USXIJHARSA-N 2 2 371.485 0.891 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001179630612 1206384181 /nfs/dbraw/zinc/38/41/81/1206384181.db2.gz VMKARKQKOSWXIA-HUUCEWRRSA-N 2 2 360.462 0.430 20 30 FCEDLP N#CC1(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643960 1224983150 /nfs/dbraw/zinc/98/31/50/1224983150.db2.gz ZKAYKMPXKNFIBX-QGZVFWFLSA-N 2 2 352.442 0.954 20 30 FCEDLP N#CC1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643960 1224983164 /nfs/dbraw/zinc/98/31/64/1224983164.db2.gz ZKAYKMPXKNFIBX-QGZVFWFLSA-N 2 2 352.442 0.954 20 30 FCEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CCC1 ZINC001193821757 1207892333 /nfs/dbraw/zinc/89/23/33/1207892333.db2.gz RVUGHAFXJUQBCD-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CCC1 ZINC001193821757 1207892336 /nfs/dbraw/zinc/89/23/36/1207892336.db2.gz RVUGHAFXJUQBCD-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CCC1 ZINC001193821757 1207892338 /nfs/dbraw/zinc/89/23/38/1207892338.db2.gz RVUGHAFXJUQBCD-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CCC1 ZINC001193821757 1207892340 /nfs/dbraw/zinc/89/23/40/1207892340.db2.gz RVUGHAFXJUQBCD-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201438903 1208457207 /nfs/dbraw/zinc/45/72/07/1208457207.db2.gz QVFUSCUIWUQDPW-BRWVUGGUSA-N 2 2 362.474 0.933 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220816986 1225085787 /nfs/dbraw/zinc/08/57/87/1225085787.db2.gz KGIFSHKYSUYSRX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220816986 1225085790 /nfs/dbraw/zinc/08/57/90/1225085790.db2.gz KGIFSHKYSUYSRX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220816986 1225085793 /nfs/dbraw/zinc/08/57/93/1225085793.db2.gz KGIFSHKYSUYSRX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220816986 1225085799 /nfs/dbraw/zinc/08/57/99/1225085799.db2.gz KGIFSHKYSUYSRX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001110715190 1209732774 /nfs/dbraw/zinc/73/27/74/1209732774.db2.gz RJWCCDKEZGDYKQ-VQHPVUNQSA-N 2 2 363.506 0.810 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001110715190 1209732789 /nfs/dbraw/zinc/73/27/89/1209732789.db2.gz RJWCCDKEZGDYKQ-VQHPVUNQSA-N 2 2 363.506 0.810 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220986236 1225175829 /nfs/dbraw/zinc/17/58/29/1225175829.db2.gz XOBZFRBWBTWJRK-RLLQIKCJSA-N 2 2 371.481 0.168 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220986236 1225175831 /nfs/dbraw/zinc/17/58/31/1225175831.db2.gz XOBZFRBWBTWJRK-RLLQIKCJSA-N 2 2 371.481 0.168 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994414 1225180048 /nfs/dbraw/zinc/18/00/48/1225180048.db2.gz PXINJOSURQJQFS-ZACQAIPSSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994414 1225180054 /nfs/dbraw/zinc/18/00/54/1225180054.db2.gz PXINJOSURQJQFS-ZACQAIPSSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000884236120 1210725468 /nfs/dbraw/zinc/72/54/68/1210725468.db2.gz MSSUQSVATLRXEG-INIZCTEOSA-N 2 2 366.506 0.500 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001110877234 1211007827 /nfs/dbraw/zinc/00/78/27/1211007827.db2.gz JCVFVSQSBLCDPX-NCOADZHNSA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001110877234 1211007829 /nfs/dbraw/zinc/00/78/29/1211007829.db2.gz JCVFVSQSBLCDPX-NCOADZHNSA-N 2 2 357.458 0.782 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(CC)CCC#N ZINC001111309818 1212536081 /nfs/dbraw/zinc/53/60/81/1212536081.db2.gz YNWIQFQJRHZFBI-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(CC)CCC#N ZINC001111309818 1212536083 /nfs/dbraw/zinc/53/60/83/1212536083.db2.gz YNWIQFQJRHZFBI-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001111309818 1212536085 /nfs/dbraw/zinc/53/60/85/1212536085.db2.gz YNWIQFQJRHZFBI-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001111309818 1212536088 /nfs/dbraw/zinc/53/60/88/1212536088.db2.gz YNWIQFQJRHZFBI-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000957849203 1213365084 /nfs/dbraw/zinc/36/50/84/1213365084.db2.gz RXWBELBZRKJHQG-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000957849203 1213365085 /nfs/dbraw/zinc/36/50/85/1213365085.db2.gz RXWBELBZRKJHQG-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000957849203 1213365088 /nfs/dbraw/zinc/36/50/88/1213365088.db2.gz RXWBELBZRKJHQG-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000957849203 1213365091 /nfs/dbraw/zinc/36/50/91/1213365091.db2.gz RXWBELBZRKJHQG-BDXSIMOUSA-N 2 2 360.502 0.531 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001221762106 1225470511 /nfs/dbraw/zinc/47/05/11/1225470511.db2.gz OSGNKVPVHLPUMD-KZNAEPCWSA-N 2 2 362.518 0.943 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001221762106 1225470516 /nfs/dbraw/zinc/47/05/16/1225470516.db2.gz OSGNKVPVHLPUMD-KZNAEPCWSA-N 2 2 362.518 0.943 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221762106 1225470519 /nfs/dbraw/zinc/47/05/19/1225470519.db2.gz OSGNKVPVHLPUMD-KZNAEPCWSA-N 2 2 362.518 0.943 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221762106 1225470526 /nfs/dbraw/zinc/47/05/26/1225470526.db2.gz OSGNKVPVHLPUMD-KZNAEPCWSA-N 2 2 362.518 0.943 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2O)CC1 ZINC001041060889 1214682597 /nfs/dbraw/zinc/68/25/97/1214682597.db2.gz IBDZNYWTSYDXNH-QZTJIDSGSA-N 2 2 371.485 0.413 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050008 1225591035 /nfs/dbraw/zinc/59/10/35/1225591035.db2.gz QVUUYEVZJUILIY-ZHALLVOQSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050008 1225591039 /nfs/dbraw/zinc/59/10/39/1225591039.db2.gz QVUUYEVZJUILIY-ZHALLVOQSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@@H]21 ZINC001223425081 1225705874 /nfs/dbraw/zinc/70/58/74/1225705874.db2.gz LIWZGLWBWTZDDN-NJAFHUGGSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@@H]21 ZINC001223425081 1225705880 /nfs/dbraw/zinc/70/58/80/1225705880.db2.gz LIWZGLWBWTZDDN-NJAFHUGGSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@@H]21 ZINC001223425081 1225705884 /nfs/dbraw/zinc/70/58/84/1225705884.db2.gz LIWZGLWBWTZDDN-NJAFHUGGSA-N 2 2 359.474 0.956 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@@H]21 ZINC001223425081 1225705889 /nfs/dbraw/zinc/70/58/89/1225705889.db2.gz LIWZGLWBWTZDDN-NJAFHUGGSA-N 2 2 359.474 0.956 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2O)CC1 ZINC001043988667 1217787119 /nfs/dbraw/zinc/78/71/19/1217787119.db2.gz IBDZNYWTSYDXNH-MSOLQXFVSA-N 2 2 371.485 0.413 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952415 1218351698 /nfs/dbraw/zinc/35/16/98/1218351698.db2.gz LNPUVWONKHEYEQ-HCXYKTFWSA-N 2 2 361.486 0.280 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952415 1218351701 /nfs/dbraw/zinc/35/17/01/1218351701.db2.gz LNPUVWONKHEYEQ-HCXYKTFWSA-N 2 2 361.486 0.280 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001096548897 1218476929 /nfs/dbraw/zinc/47/69/29/1218476929.db2.gz PSMFOWLBWJLUTC-LTIDMASMSA-N 2 2 357.458 0.700 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001096548897 1218476939 /nfs/dbraw/zinc/47/69/39/1218476939.db2.gz PSMFOWLBWJLUTC-LTIDMASMSA-N 2 2 357.458 0.700 20 30 FCEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606762 1218499909 /nfs/dbraw/zinc/49/99/09/1218499909.db2.gz DGDJUPJDYFQWRY-YRXWBPOGSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606762 1218499921 /nfs/dbraw/zinc/49/99/21/1218499921.db2.gz DGDJUPJDYFQWRY-YRXWBPOGSA-N 2 2 361.486 0.565 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227176282 1225865563 /nfs/dbraw/zinc/86/55/63/1225865563.db2.gz VQHGQHTWWASQTH-BZUAXINKSA-N 2 2 359.474 0.765 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078198 1219146447 /nfs/dbraw/zinc/14/64/47/1219146447.db2.gz ZGARQGFZVYBMCC-WBVHZDCISA-N 2 2 353.430 0.418 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078198 1219146453 /nfs/dbraw/zinc/14/64/53/1219146453.db2.gz ZGARQGFZVYBMCC-WBVHZDCISA-N 2 2 353.430 0.418 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220693 1219302692 /nfs/dbraw/zinc/30/26/92/1219302692.db2.gz NKGBUYRMUOTJCP-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001070221984 1219303329 /nfs/dbraw/zinc/30/33/29/1219303329.db2.gz ASNVDYHKTRQJBR-XKQJLSEDSA-N 2 2 355.446 0.642 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070221984 1219303332 /nfs/dbraw/zinc/30/33/32/1219303332.db2.gz ASNVDYHKTRQJBR-XKQJLSEDSA-N 2 2 355.446 0.642 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070506443 1219443610 /nfs/dbraw/zinc/44/36/10/1219443610.db2.gz AZHBMTPVIABVEI-YQQAZPJKSA-N 2 2 354.458 0.949 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506716 1219444181 /nfs/dbraw/zinc/44/41/81/1219444181.db2.gz NTFKOTGVTJZLLR-QILLFSRXSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070567984 1219473523 /nfs/dbraw/zinc/47/35/23/1219473523.db2.gz SIUGQDJYGLKZRB-QXAKKESOSA-N 2 2 366.469 0.635 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070655390 1219510248 /nfs/dbraw/zinc/51/02/48/1219510248.db2.gz KGDLTXFIMVHQHO-GVDBMIGSSA-N 2 2 358.490 0.806 20 30 FCEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070655390 1219510252 /nfs/dbraw/zinc/51/02/52/1219510252.db2.gz KGDLTXFIMVHQHO-GVDBMIGSSA-N 2 2 358.490 0.806 20 30 FCEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001071094680 1219605061 /nfs/dbraw/zinc/60/50/61/1219605061.db2.gz QUUAHTZRRQLEQD-MSOLQXFVSA-N 2 2 363.502 0.716 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281251 1220266180 /nfs/dbraw/zinc/26/61/80/1220266180.db2.gz JSXBPKRGHWENSO-YRNRMSPPSA-N 2 2 371.485 0.528 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281251 1220266184 /nfs/dbraw/zinc/26/61/84/1220266184.db2.gz JSXBPKRGHWENSO-YRNRMSPPSA-N 2 2 371.485 0.528 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404724 1220325980 /nfs/dbraw/zinc/32/59/80/1220325980.db2.gz NJOLFLYVMFEUST-UZLBHIALSA-N 2 2 371.485 0.933 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404724 1220325984 /nfs/dbraw/zinc/32/59/84/1220325984.db2.gz NJOLFLYVMFEUST-UZLBHIALSA-N 2 2 371.485 0.933 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429905 1220339559 /nfs/dbraw/zinc/33/95/59/1220339559.db2.gz FLIVUPNGPRDJDM-KUHUBIRLSA-N 2 2 359.474 0.770 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429905 1220339561 /nfs/dbraw/zinc/33/95/61/1220339561.db2.gz FLIVUPNGPRDJDM-KUHUBIRLSA-N 2 2 359.474 0.770 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102351017 1220589498 /nfs/dbraw/zinc/58/94/98/1220589498.db2.gz JUBZKSPAVGCKPQ-RBSFLKMASA-N 2 2 359.474 0.816 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102351017 1220589505 /nfs/dbraw/zinc/58/95/05/1220589505.db2.gz JUBZKSPAVGCKPQ-RBSFLKMASA-N 2 2 359.474 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001103098897 1220833121 /nfs/dbraw/zinc/83/31/21/1220833121.db2.gz QRLNRSUOCQIKBO-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001103098897 1220833123 /nfs/dbraw/zinc/83/31/23/1220833123.db2.gz QRLNRSUOCQIKBO-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@H]1C ZINC001103098897 1220833125 /nfs/dbraw/zinc/83/31/25/1220833125.db2.gz QRLNRSUOCQIKBO-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@H]1C ZINC001103098897 1220833127 /nfs/dbraw/zinc/83/31/27/1220833127.db2.gz QRLNRSUOCQIKBO-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001103162619 1220842476 /nfs/dbraw/zinc/84/24/76/1220842476.db2.gz DDMGHWYTEWCKKU-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001103162619 1220842477 /nfs/dbraw/zinc/84/24/77/1220842477.db2.gz DDMGHWYTEWCKKU-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001103394610 1220877292 /nfs/dbraw/zinc/87/72/92/1220877292.db2.gz INPQEVBMFPNSHO-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001103394610 1220877294 /nfs/dbraw/zinc/87/72/94/1220877294.db2.gz INPQEVBMFPNSHO-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001103394610 1220877297 /nfs/dbraw/zinc/87/72/97/1220877297.db2.gz INPQEVBMFPNSHO-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001103394610 1220877301 /nfs/dbraw/zinc/87/73/01/1220877301.db2.gz INPQEVBMFPNSHO-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C[C@@H](CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001103479440 1220888699 /nfs/dbraw/zinc/88/86/99/1220888699.db2.gz NOTAAPCBPYDXJZ-OWCLPIDISA-N 2 2 360.462 0.548 20 30 FCEDLP C[C@@H](CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001103479440 1220888701 /nfs/dbraw/zinc/88/87/01/1220888701.db2.gz NOTAAPCBPYDXJZ-OWCLPIDISA-N 2 2 360.462 0.548 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001103574119 1220905614 /nfs/dbraw/zinc/90/56/14/1220905614.db2.gz BEAOZEXROOODCM-BZUAXINKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001103574119 1220905617 /nfs/dbraw/zinc/90/56/17/1220905617.db2.gz BEAOZEXROOODCM-BZUAXINKSA-N 2 2 359.474 0.813 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104136074 1221011813 /nfs/dbraw/zinc/01/18/13/1221011813.db2.gz JPHHJGILVKIKNB-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230338474 1226075133 /nfs/dbraw/zinc/07/51/33/1226075133.db2.gz QBJBQCGMLWICDD-GVDBMIGSSA-N 2 2 359.474 0.818 20 30 FCEDLP CN(CCC#N)C[C@H](O)C[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001120487902 1222093657 /nfs/dbraw/zinc/09/36/57/1222093657.db2.gz KSGSNDSSLJJPIB-LJQANCHMSA-N 2 2 373.501 0.127 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000834408102 1222572133 /nfs/dbraw/zinc/57/21/33/1222572133.db2.gz WZQVGVJBHCNMLV-VJANTYMQSA-N 2 2 370.497 0.335 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000834408102 1222572136 /nfs/dbraw/zinc/57/21/36/1222572136.db2.gz WZQVGVJBHCNMLV-VJANTYMQSA-N 2 2 370.497 0.335 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C#N)nc3)CC[C@@H]2C1 ZINC001140543815 1222598966 /nfs/dbraw/zinc/59/89/66/1222598966.db2.gz UNSPJHGGSNTHJC-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C#N)nc3)CC[C@@H]2C1 ZINC001140543815 1222598970 /nfs/dbraw/zinc/59/89/70/1222598970.db2.gz UNSPJHGGSNTHJC-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)nc3)CC[C@@H]2C1 ZINC001140543815 1222598975 /nfs/dbraw/zinc/59/89/75/1222598975.db2.gz UNSPJHGGSNTHJC-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)nc3)CC[C@@H]2C1 ZINC001140543815 1222598979 /nfs/dbraw/zinc/59/89/79/1222598979.db2.gz UNSPJHGGSNTHJC-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccc(C#N)nc3)CC2)C1=O ZINC001140543141 1222599303 /nfs/dbraw/zinc/59/93/03/1222599303.db2.gz KUVRCERTPWONFD-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(C#N)nc3)CC2)C1=O ZINC001140543141 1222599310 /nfs/dbraw/zinc/59/93/10/1222599310.db2.gz KUVRCERTPWONFD-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277710751 1226166165 /nfs/dbraw/zinc/16/61/65/1226166165.db2.gz BENWLSBHUWVCGZ-DLBZAZTESA-N 2 2 360.458 0.149 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001277711540 1226167028 /nfs/dbraw/zinc/16/70/28/1226167028.db2.gz JOOBHYQWMJOWBZ-QGZVFWFLSA-N 2 2 360.458 0.245 20 30 FCEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124189 1223089697 /nfs/dbraw/zinc/08/96/97/1223089697.db2.gz LRRQQOIGHUHHHV-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124189 1223089701 /nfs/dbraw/zinc/08/97/01/1223089701.db2.gz LRRQQOIGHUHHHV-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124189 1223089704 /nfs/dbraw/zinc/08/97/04/1223089704.db2.gz LRRQQOIGHUHHHV-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124189 1223089707 /nfs/dbraw/zinc/08/97/07/1223089707.db2.gz LRRQQOIGHUHHHV-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919579 1223387839 /nfs/dbraw/zinc/38/78/39/1223387839.db2.gz ZEVPQGOVQXZAGY-HZPDHXFCSA-N 2 2 359.474 0.979 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919579 1223387841 /nfs/dbraw/zinc/38/78/41/1223387841.db2.gz ZEVPQGOVQXZAGY-HZPDHXFCSA-N 2 2 359.474 0.979 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591062 1223560551 /nfs/dbraw/zinc/56/05/51/1223560551.db2.gz OXZZMWHGSSMKND-BRWVUGGUSA-N 2 2 363.506 0.669 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591062 1223560557 /nfs/dbraw/zinc/56/05/57/1223560557.db2.gz OXZZMWHGSSMKND-BRWVUGGUSA-N 2 2 363.506 0.669 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591062 1223560561 /nfs/dbraw/zinc/56/05/61/1223560561.db2.gz OXZZMWHGSSMKND-BRWVUGGUSA-N 2 2 363.506 0.669 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591062 1223560564 /nfs/dbraw/zinc/56/05/64/1223560564.db2.gz OXZZMWHGSSMKND-BRWVUGGUSA-N 2 2 363.506 0.669 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001209478686 1223623868 /nfs/dbraw/zinc/62/38/68/1223623868.db2.gz XUPJODXBTCCCNW-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001209478686 1223623871 /nfs/dbraw/zinc/62/38/71/1223623871.db2.gz XUPJODXBTCCCNW-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001211337008 1223735488 /nfs/dbraw/zinc/73/54/88/1223735488.db2.gz HUWNGQCRCUURIX-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001211337008 1223735491 /nfs/dbraw/zinc/73/54/91/1223735491.db2.gz HUWNGQCRCUURIX-RHSMWYFYSA-N 2 2 357.458 0.438 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370813 1223791181 /nfs/dbraw/zinc/79/11/81/1223791181.db2.gz MUQWKEHKKALIOP-SJLPKXTDSA-N 2 2 360.458 0.834 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370813 1223791184 /nfs/dbraw/zinc/79/11/84/1223791184.db2.gz MUQWKEHKKALIOP-SJLPKXTDSA-N 2 2 360.458 0.834 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764764 1223846129 /nfs/dbraw/zinc/84/61/29/1223846129.db2.gz BKIDNKXNHWLAFZ-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764764 1223846130 /nfs/dbraw/zinc/84/61/30/1223846130.db2.gz BKIDNKXNHWLAFZ-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764764 1223846131 /nfs/dbraw/zinc/84/61/31/1223846131.db2.gz BKIDNKXNHWLAFZ-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764764 1223846133 /nfs/dbraw/zinc/84/61/33/1223846133.db2.gz BKIDNKXNHWLAFZ-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216856973 1224078973 /nfs/dbraw/zinc/07/89/73/1224078973.db2.gz CBWOMAZFBCWIQM-QGPMSJSTSA-N 2 2 359.474 0.423 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993600706 1249772883 /nfs/dbraw/zinc/77/28/83/1249772883.db2.gz DAXMCDNMNHXLEA-BRWVUGGUSA-N 2 2 369.469 0.338 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993600706 1249772889 /nfs/dbraw/zinc/77/28/89/1249772889.db2.gz DAXMCDNMNHXLEA-BRWVUGGUSA-N 2 2 369.469 0.338 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CC1 ZINC000997357302 1251559499 /nfs/dbraw/zinc/55/94/99/1251559499.db2.gz JTEFJRNBVMDLCD-SQNIBIBYSA-N 2 2 369.469 0.476 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC000997885909 1251736189 /nfs/dbraw/zinc/73/61/89/1251736189.db2.gz LBAMUBPXRSFGAW-QZWWFDLISA-N 2 2 355.442 0.229 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC000997885909 1251736200 /nfs/dbraw/zinc/73/62/00/1251736200.db2.gz LBAMUBPXRSFGAW-QZWWFDLISA-N 2 2 355.442 0.229 20 30 FCEDLP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022275 1252269525 /nfs/dbraw/zinc/26/95/25/1252269525.db2.gz UOEKHPHBZMFTSO-BZUAXINKSA-N 2 2 355.446 0.864 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001003137648 1252790628 /nfs/dbraw/zinc/79/06/28/1252790628.db2.gz KNBNDIPXICKOBF-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001003137648 1252790634 /nfs/dbraw/zinc/79/06/34/1252790634.db2.gz KNBNDIPXICKOBF-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC1 ZINC001077613087 1254777295 /nfs/dbraw/zinc/77/72/95/1254777295.db2.gz XUVOMEYSRZQBHM-QZTJIDSGSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC1 ZINC001077613087 1254777301 /nfs/dbraw/zinc/77/73/01/1254777301.db2.gz XUVOMEYSRZQBHM-QZTJIDSGSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005964 1255161157 /nfs/dbraw/zinc/16/11/57/1255161157.db2.gz OFERIKIKNGOXHO-ZTFGCOKTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005964 1255161162 /nfs/dbraw/zinc/16/11/62/1255161162.db2.gz OFERIKIKNGOXHO-ZTFGCOKTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005964 1255161166 /nfs/dbraw/zinc/16/11/66/1255161166.db2.gz OFERIKIKNGOXHO-ZTFGCOKTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005964 1255161169 /nfs/dbraw/zinc/16/11/69/1255161169.db2.gz OFERIKIKNGOXHO-ZTFGCOKTSA-N 2 2 360.433 0.700 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2OC)CC1 ZINC001082384045 1256734426 /nfs/dbraw/zinc/73/44/26/1256734426.db2.gz ADJJRDZYHKVDMG-RTBURBONSA-N 2 2 356.470 0.742 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2OC)CC1 ZINC001082384045 1256734428 /nfs/dbraw/zinc/73/44/28/1256734428.db2.gz ADJJRDZYHKVDMG-RTBURBONSA-N 2 2 356.470 0.742 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2OC)CC1 ZINC001082384388 1256735072 /nfs/dbraw/zinc/73/50/72/1256735072.db2.gz STNIHKQLODGMGC-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2OC)CC1 ZINC001082384388 1256735075 /nfs/dbraw/zinc/73/50/75/1256735075.db2.gz STNIHKQLODGMGC-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394929 1256744427 /nfs/dbraw/zinc/74/44/27/1256744427.db2.gz NCXCHUSAOKDTKB-QZTJIDSGSA-N 2 2 369.425 0.801 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394929 1256744429 /nfs/dbraw/zinc/74/44/29/1256744429.db2.gz NCXCHUSAOKDTKB-QZTJIDSGSA-N 2 2 369.425 0.801 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001082568309 1256872025 /nfs/dbraw/zinc/87/20/25/1256872025.db2.gz MDCGSEQHJRLMKE-BMFZPTHFSA-N 2 2 356.474 0.716 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001082568309 1256872039 /nfs/dbraw/zinc/87/20/39/1256872039.db2.gz MDCGSEQHJRLMKE-BMFZPTHFSA-N 2 2 356.474 0.716 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@@H]2O)CC1 ZINC001084089677 1257913035 /nfs/dbraw/zinc/91/30/35/1257913035.db2.gz WDQALUYQUADFJH-MSOLQXFVSA-N 2 2 360.458 0.244 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@@H]2O)CC1 ZINC001084089677 1257913042 /nfs/dbraw/zinc/91/30/42/1257913042.db2.gz WDQALUYQUADFJH-MSOLQXFVSA-N 2 2 360.458 0.244 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001084851016 1258400139 /nfs/dbraw/zinc/40/01/39/1258400139.db2.gz JHKDCAQBUNZWIG-QZTJIDSGSA-N 2 2 358.486 0.097 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001084851016 1258400142 /nfs/dbraw/zinc/40/01/42/1258400142.db2.gz JHKDCAQBUNZWIG-QZTJIDSGSA-N 2 2 358.486 0.097 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)C1=O ZINC001085075333 1258569783 /nfs/dbraw/zinc/56/97/83/1258569783.db2.gz BALVUFMOQVOFEH-JQHSSLGASA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)C1=O ZINC001085075333 1258569788 /nfs/dbraw/zinc/56/97/88/1258569788.db2.gz BALVUFMOQVOFEH-JQHSSLGASA-N 2 2 371.485 0.672 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088212013 1258733783 /nfs/dbraw/zinc/73/37/83/1258733783.db2.gz KJGQRHBAPBISEL-SJORKVTESA-N 2 2 357.458 0.695 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088212013 1258733788 /nfs/dbraw/zinc/73/37/88/1258733788.db2.gz KJGQRHBAPBISEL-SJORKVTESA-N 2 2 357.458 0.695 20 30 FCEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525860 1259107329 /nfs/dbraw/zinc/10/73/29/1259107329.db2.gz QIIMBJNVQURCKJ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525860 1259107333 /nfs/dbraw/zinc/10/73/33/1259107333.db2.gz QIIMBJNVQURCKJ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525860 1259107337 /nfs/dbraw/zinc/10/73/37/1259107337.db2.gz QIIMBJNVQURCKJ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525860 1259107341 /nfs/dbraw/zinc/10/73/41/1259107341.db2.gz QIIMBJNVQURCKJ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643248 1259403211 /nfs/dbraw/zinc/40/32/11/1259403211.db2.gz LZJMRUBYDDQPGH-LZLYRXPVSA-N 2 2 359.474 0.033 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643248 1259403215 /nfs/dbraw/zinc/40/32/15/1259403215.db2.gz LZJMRUBYDDQPGH-LZLYRXPVSA-N 2 2 359.474 0.033 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642820 1259403314 /nfs/dbraw/zinc/40/33/14/1259403314.db2.gz KIPPSTFPWIONPL-YQVWRLOYSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642820 1259403319 /nfs/dbraw/zinc/40/33/19/1259403319.db2.gz KIPPSTFPWIONPL-YQVWRLOYSA-N 2 2 358.486 0.143 20 30 FCEDLP Cn1cc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c2cc(C#N)ccc21 ZINC001236311799 1259589052 /nfs/dbraw/zinc/58/90/52/1259589052.db2.gz MPBZJPUEDBTKOU-UHFFFAOYSA-N 3 2 356.474 0.666 20 30 FCEDLP Cn1cc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c2cc(C#N)ccc21 ZINC001236311799 1259589061 /nfs/dbraw/zinc/58/90/61/1259589061.db2.gz MPBZJPUEDBTKOU-UHFFFAOYSA-N 3 2 356.474 0.666 20 30 FCEDLP CN(C(=O)C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327746403 1265412517 /nfs/dbraw/zinc/41/25/17/1265412517.db2.gz JVFGZFUHRLGDHK-INIZCTEOSA-N 2 2 361.490 0.423 20 30 FCEDLP CN(C(=O)C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327746403 1265412524 /nfs/dbraw/zinc/41/25/24/1265412524.db2.gz JVFGZFUHRLGDHK-INIZCTEOSA-N 2 2 361.490 0.423 20 30 FCEDLP C=CCn1c(CCn2cc[nH+]c2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001340728812 1268636829 /nfs/dbraw/zinc/63/68/29/1268636829.db2.gz LGLVBYSSSBBLBC-UHFFFAOYSA-N 2 2 359.478 0.980 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001574707595 1271497921 /nfs/dbraw/zinc/49/79/21/1271497921.db2.gz WVJZSYNOYBZSGW-BDXSIMOUSA-N 2 2 372.517 0.789 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CC[NH+]2CCCC2)CC1 ZINC001574707282 1271498192 /nfs/dbraw/zinc/49/81/92/1271498192.db2.gz QMTSJVQVLRHIJO-SFHVURJKSA-N 3 2 371.533 0.596 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3[NH2+]2)CC1 ZINC001574706903 1271498417 /nfs/dbraw/zinc/49/84/17/1271498417.db2.gz JIQWYFQWROFXHB-YESZJQIVSA-N 2 2 372.517 0.708 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588351005 1282447745 /nfs/dbraw/zinc/44/77/45/1282447745.db2.gz CDMLOZOYKPSJOO-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588351005 1282447751 /nfs/dbraw/zinc/44/77/51/1282447751.db2.gz CDMLOZOYKPSJOO-INIZCTEOSA-N 2 2 371.420 0.309 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001588352900 1282449896 /nfs/dbraw/zinc/44/98/96/1282449896.db2.gz ZYVPUMKDMWBMLI-AWEZNQCLSA-N 2 2 373.486 0.574 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001588352900 1282449902 /nfs/dbraw/zinc/44/99/02/1282449902.db2.gz ZYVPUMKDMWBMLI-AWEZNQCLSA-N 2 2 373.486 0.574 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001692079116 1289386300 /nfs/dbraw/zinc/38/63/00/1289386300.db2.gz BNOMJVAGIAIPKU-ZACQAIPSSA-N 2 2 359.474 0.628 20 30 FCEDLP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521916 843227832 /nfs/dbraw/zinc/22/78/32/843227832.db2.gz HSCCXLNDVFPWKK-MRVWCRGKSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521916 843227845 /nfs/dbraw/zinc/22/78/45/843227845.db2.gz HSCCXLNDVFPWKK-MRVWCRGKSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521916 843227853 /nfs/dbraw/zinc/22/78/53/843227853.db2.gz HSCCXLNDVFPWKK-MRVWCRGKSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521916 843227858 /nfs/dbraw/zinc/22/78/58/843227858.db2.gz HSCCXLNDVFPWKK-MRVWCRGKSA-N 2 2 360.296 0.910 20 30 FCEDLP C=CCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024718 845422752 /nfs/dbraw/zinc/42/27/52/845422752.db2.gz OHNCXMDQVCYOQR-JFIYKMOQSA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024718 845422756 /nfs/dbraw/zinc/42/27/56/845422756.db2.gz OHNCXMDQVCYOQR-JFIYKMOQSA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024718 845422761 /nfs/dbraw/zinc/42/27/61/845422761.db2.gz OHNCXMDQVCYOQR-JFIYKMOQSA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024718 845422770 /nfs/dbraw/zinc/42/27/70/845422770.db2.gz OHNCXMDQVCYOQR-JFIYKMOQSA-N 2 2 355.479 0.115 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109360636 845629166 /nfs/dbraw/zinc/62/91/66/845629166.db2.gz CMTOHDGNMXWHEN-WCVJEAGWSA-N 2 2 352.454 0.137 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109360636 845629172 /nfs/dbraw/zinc/62/91/72/845629172.db2.gz CMTOHDGNMXWHEN-WCVJEAGWSA-N 2 2 352.454 0.137 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075465 846354342 /nfs/dbraw/zinc/35/43/42/846354342.db2.gz DBNRYRIWWLDKDT-MCIONIFRSA-N 2 2 365.396 0.499 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075465 846354356 /nfs/dbraw/zinc/35/43/56/846354356.db2.gz DBNRYRIWWLDKDT-MCIONIFRSA-N 2 2 365.396 0.499 20 30 FCEDLP C#CCSCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001117169105 846919299 /nfs/dbraw/zinc/91/92/99/846919299.db2.gz BOHUHIFNYVJSMV-UHFFFAOYSA-N 2 2 366.531 0.144 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130244123 848986190 /nfs/dbraw/zinc/98/61/90/848986190.db2.gz ASCSCUQCKCSALG-KBPBESRZSA-N 2 2 350.467 0.411 20 30 FCEDLP C=CC[N@H+]1CCC[C@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001160951610 850215552 /nfs/dbraw/zinc/21/55/52/850215552.db2.gz JTELZLADVIRUAU-ZDUSSCGKSA-N 2 2 365.503 0.631 20 30 FCEDLP C=CC[N@@H+]1CCC[C@H]1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001160951610 850215559 /nfs/dbraw/zinc/21/55/59/850215559.db2.gz JTELZLADVIRUAU-ZDUSSCGKSA-N 2 2 365.503 0.631 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102002 852354943 /nfs/dbraw/zinc/35/49/43/852354943.db2.gz AKEHBTZXHOTNPZ-ARFHVFGLSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102002 852354949 /nfs/dbraw/zinc/35/49/49/852354949.db2.gz AKEHBTZXHOTNPZ-ARFHVFGLSA-N 2 2 350.463 0.761 20 30 FCEDLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197724130 853153163 /nfs/dbraw/zinc/15/31/63/853153163.db2.gz NVHLAMPJFBRZGX-QZTJIDSGSA-N 2 2 353.507 0.700 20 30 FCEDLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197724130 853153166 /nfs/dbraw/zinc/15/31/66/853153166.db2.gz NVHLAMPJFBRZGX-QZTJIDSGSA-N 2 2 353.507 0.700 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209135074 854000985 /nfs/dbraw/zinc/00/09/85/854000985.db2.gz WADPGTKSLZAQOV-IXDOHACOSA-N 2 2 350.507 0.990 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209135074 854000992 /nfs/dbraw/zinc/00/09/92/854000992.db2.gz WADPGTKSLZAQOV-IXDOHACOSA-N 2 2 350.507 0.990 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434394 854613651 /nfs/dbraw/zinc/61/36/51/854613651.db2.gz AFCBUVOWWORIPJ-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434394 854613653 /nfs/dbraw/zinc/61/36/53/854613653.db2.gz AFCBUVOWWORIPJ-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853458 855846892 /nfs/dbraw/zinc/84/68/92/855846892.db2.gz VHCPKRKDDZMMPA-ZACQAIPSSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853458 855846897 /nfs/dbraw/zinc/84/68/97/855846897.db2.gz VHCPKRKDDZMMPA-ZACQAIPSSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853457 855847510 /nfs/dbraw/zinc/84/75/10/855847510.db2.gz VHCPKRKDDZMMPA-IKGGRYGDSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853457 855847513 /nfs/dbraw/zinc/84/75/13/855847513.db2.gz VHCPKRKDDZMMPA-IKGGRYGDSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810145 856694069 /nfs/dbraw/zinc/69/40/69/856694069.db2.gz HLDRBYUJQVOSJB-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810145 856694074 /nfs/dbraw/zinc/69/40/74/856694074.db2.gz HLDRBYUJQVOSJB-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489159 873980076 /nfs/dbraw/zinc/98/00/76/873980076.db2.gz UYACJAZQMMEODG-CVEARBPZSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489159 873980083 /nfs/dbraw/zinc/98/00/83/873980083.db2.gz UYACJAZQMMEODG-CVEARBPZSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489159 873980088 /nfs/dbraw/zinc/98/00/88/873980088.db2.gz UYACJAZQMMEODG-CVEARBPZSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC001333489159 873980092 /nfs/dbraw/zinc/98/00/92/873980092.db2.gz UYACJAZQMMEODG-CVEARBPZSA-N 2 2 350.463 0.363 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419859442 246327899 /nfs/dbraw/zinc/32/78/99/246327899.db2.gz JKPIGTHBRDVBQP-QGZVFWFLSA-N 2 2 355.442 0.056 20 30 FCEDLP CN(C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC[NH2+]CC1 ZINC000423680926 247107673 /nfs/dbraw/zinc/10/76/73/247107673.db2.gz LVBPBADWOQHEFH-UHFFFAOYSA-N 2 2 369.469 0.413 20 30 FCEDLP C=CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692901 248010737 /nfs/dbraw/zinc/01/07/37/248010737.db2.gz RMEVXAHKBVFOLP-OAHLLOKOSA-N 2 2 374.489 0.859 20 30 FCEDLP C[NH+](C)CCn1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000080188847 488434480 /nfs/dbraw/zinc/43/44/80/488434480.db2.gz GKGJIWJOSLJMMS-UHFFFAOYSA-N 2 2 363.466 0.524 20 30 FCEDLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000171658994 488825636 /nfs/dbraw/zinc/82/56/36/488825636.db2.gz KHYHKZBWBURWAE-UHFFFAOYSA-N 2 2 363.487 0.948 20 30 FCEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000329336197 488995135 /nfs/dbraw/zinc/99/51/35/488995135.db2.gz LPQLHAUFSIWMHR-RHSMWYFYSA-N 2 2 360.462 0.776 20 30 FCEDLP C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364758934 488998025 /nfs/dbraw/zinc/99/80/25/488998025.db2.gz SOBWEPICOLOPEY-KRWDZBQOSA-N 2 2 354.454 0.891 20 30 FCEDLP C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364758934 488998029 /nfs/dbraw/zinc/99/80/29/488998029.db2.gz SOBWEPICOLOPEY-KRWDZBQOSA-N 2 2 354.454 0.891 20 30 FCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000329388472 488999855 /nfs/dbraw/zinc/99/98/55/488999855.db2.gz UCEGIKLAOYFFGM-MRXNPFEDSA-N 2 2 362.478 0.168 20 30 FCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000329388472 488999859 /nfs/dbraw/zinc/99/98/59/488999859.db2.gz UCEGIKLAOYFFGM-MRXNPFEDSA-N 2 2 362.478 0.168 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329457601 489006115 /nfs/dbraw/zinc/00/61/15/489006115.db2.gz QPUNGUMZTZSPGT-GDBMZVCRSA-N 2 2 352.479 0.606 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000329804887 489037767 /nfs/dbraw/zinc/03/77/67/489037767.db2.gz AHRFVMVDNJVOLD-MRXNPFEDSA-N 2 2 372.473 0.795 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000329804887 489037770 /nfs/dbraw/zinc/03/77/70/489037770.db2.gz AHRFVMVDNJVOLD-MRXNPFEDSA-N 2 2 372.473 0.795 20 30 FCEDLP Cn1nnc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000289355285 489061288 /nfs/dbraw/zinc/06/12/88/489061288.db2.gz HWUWBGFSXIAXKJ-UHFFFAOYSA-N 2 2 358.450 0.207 20 30 FCEDLP Cn1nnc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000289355285 489061289 /nfs/dbraw/zinc/06/12/89/489061289.db2.gz HWUWBGFSXIAXKJ-UHFFFAOYSA-N 2 2 358.450 0.207 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC000330066556 489066096 /nfs/dbraw/zinc/06/60/96/489066096.db2.gz DWEZPEDADSAZEB-MRXNPFEDSA-N 2 2 372.535 0.626 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)o1 ZINC000365381886 489070074 /nfs/dbraw/zinc/07/00/74/489070074.db2.gz VLGRBDWBSIOQMW-MRXNPFEDSA-N 2 2 374.489 0.919 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)o1 ZINC000365381886 489070077 /nfs/dbraw/zinc/07/00/77/489070077.db2.gz VLGRBDWBSIOQMW-MRXNPFEDSA-N 2 2 374.489 0.919 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765469 489199825 /nfs/dbraw/zinc/19/98/25/489199825.db2.gz DNBDTINOLAYNAL-HDICACEKSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765469 489199827 /nfs/dbraw/zinc/19/98/27/489199827.db2.gz DNBDTINOLAYNAL-HDICACEKSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765469 489199828 /nfs/dbraw/zinc/19/98/28/489199828.db2.gz DNBDTINOLAYNAL-HDICACEKSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765469 489199830 /nfs/dbraw/zinc/19/98/30/489199830.db2.gz DNBDTINOLAYNAL-HDICACEKSA-N 2 2 358.486 0.476 20 30 FCEDLP NC(CN1CCOCC1)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283487664 489264530 /nfs/dbraw/zinc/26/45/30/489264530.db2.gz IGJUUHKTEFTYCZ-GOSISDBHSA-N 2 2 362.474 0.899 20 30 FCEDLP NC(CN1CCOCC1)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283487664 489264532 /nfs/dbraw/zinc/26/45/32/489264532.db2.gz IGJUUHKTEFTYCZ-GOSISDBHSA-N 2 2 362.474 0.899 20 30 FCEDLP C#CC(C)(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C#C)CC1 ZINC000286116708 489357879 /nfs/dbraw/zinc/35/78/79/489357879.db2.gz LXTHUBNPENQROB-UHFFFAOYSA-N 2 2 360.502 0.344 20 30 FCEDLP C#CC(C)(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)(C)C#C)CC1 ZINC000286116708 489357881 /nfs/dbraw/zinc/35/78/81/489357881.db2.gz LXTHUBNPENQROB-UHFFFAOYSA-N 2 2 360.502 0.344 20 30 FCEDLP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000563490459 491250903 /nfs/dbraw/zinc/25/09/03/491250903.db2.gz LXJJGVSOFZURHB-CYBMUJFWSA-N 2 2 373.848 1.504 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000563490459 491250905 /nfs/dbraw/zinc/25/09/05/491250905.db2.gz LXJJGVSOFZURHB-CYBMUJFWSA-N 2 2 373.848 1.504 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286335938 489381364 /nfs/dbraw/zinc/38/13/64/489381364.db2.gz ARVGVRAXHFDPEF-MRXNPFEDSA-N 2 2 357.458 0.543 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984857 490039964 /nfs/dbraw/zinc/03/99/64/490039964.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984857 490039969 /nfs/dbraw/zinc/03/99/69/490039969.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420984857 490039974 /nfs/dbraw/zinc/03/99/74/490039974.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420984857 490039978 /nfs/dbraw/zinc/03/99/78/490039978.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 2 2 365.522 0.879 20 30 FCEDLP CC#CCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000466657740 490204167 /nfs/dbraw/zinc/20/41/67/490204167.db2.gz DPCYIKVGJPNCNY-UHFFFAOYSA-N 2 2 362.518 0.877 20 30 FCEDLP C[C@@H]1C[NH+](C[C@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000484900442 490476646 /nfs/dbraw/zinc/47/66/46/490476646.db2.gz VMNQKMZVKYKCOZ-KZNAEPCWSA-N 2 2 354.495 0.004 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494617 491448572 /nfs/dbraw/zinc/44/85/72/491448572.db2.gz BBFRTJUGTUAXRG-OFQRWUPVSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494617 491448573 /nfs/dbraw/zinc/44/85/73/491448573.db2.gz BBFRTJUGTUAXRG-OFQRWUPVSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CCn1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000645037634 492843036 /nfs/dbraw/zinc/84/30/36/492843036.db2.gz JDUQXHTXUGTMEB-QGZVFWFLSA-N 2 2 361.494 0.774 20 30 FCEDLP C=CCn1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000645037634 492843037 /nfs/dbraw/zinc/84/30/37/492843037.db2.gz JDUQXHTXUGTMEB-QGZVFWFLSA-N 2 2 361.494 0.774 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267616099 526354605 /nfs/dbraw/zinc/35/46/05/526354605.db2.gz HLDJERUKBGYBQZ-UHFFFAOYSA-N 2 2 351.470 0.755 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267616099 526354608 /nfs/dbraw/zinc/35/46/08/526354608.db2.gz HLDJERUKBGYBQZ-UHFFFAOYSA-N 2 2 351.470 0.755 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262799683 526359184 /nfs/dbraw/zinc/35/91/84/526359184.db2.gz QUONFKCWBWHMCB-MRXNPFEDSA-N 3 2 355.552 0.265 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(Cc2cc(C)on2)CC1 ZINC000262807866 526359395 /nfs/dbraw/zinc/35/93/95/526359395.db2.gz UEDHMDJMFSQBOM-UHFFFAOYSA-N 2 2 366.535 0.725 20 30 FCEDLP C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179226768 526362078 /nfs/dbraw/zinc/36/20/78/526362078.db2.gz BPGNFPBZJZCUGL-CABCVRRESA-N 2 2 370.523 0.669 20 30 FCEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262809208 526378575 /nfs/dbraw/zinc/37/85/75/526378575.db2.gz TUUPKWJPTKBKEA-FUHWJXTLSA-N 3 2 369.579 0.653 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261665727 526388920 /nfs/dbraw/zinc/38/89/20/526388920.db2.gz BKWZDISMBUNZNM-HNNXBMFYSA-N 2 2 360.466 0.369 20 30 FCEDLP CCCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267390096 528162326 /nfs/dbraw/zinc/16/23/26/528162326.db2.gz CROJTDBTKRHLSH-UHFFFAOYSA-N 2 2 353.492 0.437 20 30 FCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ncccn2)CC1 ZINC000262820215 528806960 /nfs/dbraw/zinc/80/69/60/528806960.db2.gz XZDPMAJRYZKWAS-UHFFFAOYSA-N 2 2 363.535 0.613 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000923775425 663933351 /nfs/dbraw/zinc/93/33/51/663933351.db2.gz OREONECVALNAJI-MSOLQXFVSA-N 2 2 350.507 0.961 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000923775425 663933353 /nfs/dbraw/zinc/93/33/53/663933353.db2.gz OREONECVALNAJI-MSOLQXFVSA-N 2 2 350.507 0.961 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000923775426 663933406 /nfs/dbraw/zinc/93/34/06/663933406.db2.gz OREONECVALNAJI-QZTJIDSGSA-N 2 2 350.507 0.961 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000923775426 663933408 /nfs/dbraw/zinc/93/34/08/663933408.db2.gz OREONECVALNAJI-QZTJIDSGSA-N 2 2 350.507 0.961 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731757358 666837560 /nfs/dbraw/zinc/83/75/60/666837560.db2.gz DAKLGSORGVYFCB-UHFFFAOYSA-N 2 2 372.535 0.445 20 30 FCEDLP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038469 675682169 /nfs/dbraw/zinc/68/21/69/675682169.db2.gz MJPMUDVUYHQCFF-IXDOHACOSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038469 675682171 /nfs/dbraw/zinc/68/21/71/675682171.db2.gz MJPMUDVUYHQCFF-IXDOHACOSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038469 675682173 /nfs/dbraw/zinc/68/21/73/675682173.db2.gz MJPMUDVUYHQCFF-IXDOHACOSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038469 675682175 /nfs/dbraw/zinc/68/21/75/675682175.db2.gz MJPMUDVUYHQCFF-IXDOHACOSA-N 2 2 370.925 0.677 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315692 1169906633 /nfs/dbraw/zinc/90/66/33/1169906633.db2.gz YOACKQVWKUCJGR-KLHDSHLOSA-N 2 2 357.458 0.337 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315692 1169906640 /nfs/dbraw/zinc/90/66/40/1169906640.db2.gz YOACKQVWKUCJGR-KLHDSHLOSA-N 2 2 357.458 0.337 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503582 1170160386 /nfs/dbraw/zinc/16/03/86/1170160386.db2.gz YKCXXBZNXWWTKB-ZWOKBUDYSA-N 2 2 371.485 0.629 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104362852 1170486037 /nfs/dbraw/zinc/48/60/37/1170486037.db2.gz NESXRWAEJAKUBZ-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001691203384 1170859625 /nfs/dbraw/zinc/85/96/25/1170859625.db2.gz DVOGMRMORFUYQT-RBUKOAKNSA-N 2 2 368.481 0.416 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001691203384 1170859632 /nfs/dbraw/zinc/85/96/32/1170859632.db2.gz DVOGMRMORFUYQT-RBUKOAKNSA-N 2 2 368.481 0.416 20 30 FCEDLP COCC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001691394889 1171261205 /nfs/dbraw/zinc/26/12/05/1171261205.db2.gz PMEQEGNPLCIWCS-GUDVDZBRSA-N 2 2 365.518 0.964 20 30 FCEDLP COCC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001691394889 1171261225 /nfs/dbraw/zinc/26/12/25/1171261225.db2.gz PMEQEGNPLCIWCS-GUDVDZBRSA-N 2 2 365.518 0.964 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N(CC)CCC#N ZINC001691466108 1180093004 /nfs/dbraw/zinc/09/30/04/1180093004.db2.gz TWKWZARUSJSNKB-BBWFWOEESA-N 2 2 363.506 0.812 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N(CC)CCC#N ZINC001691466108 1180093036 /nfs/dbraw/zinc/09/30/36/1180093036.db2.gz TWKWZARUSJSNKB-BBWFWOEESA-N 2 2 363.506 0.812 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N(CC)CCC#N ZINC001691466108 1180093043 /nfs/dbraw/zinc/09/30/43/1180093043.db2.gz TWKWZARUSJSNKB-BBWFWOEESA-N 2 2 363.506 0.812 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N(CC)CCC#N ZINC001691466108 1180093049 /nfs/dbraw/zinc/09/30/49/1180093049.db2.gz TWKWZARUSJSNKB-BBWFWOEESA-N 2 2 363.506 0.812 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699065 1182378729 /nfs/dbraw/zinc/37/87/29/1182378729.db2.gz ASNIVXDKELCGGW-QBPKDAKJSA-N 2 2 371.485 0.347 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112020606 1182382748 /nfs/dbraw/zinc/38/27/48/1182382748.db2.gz PRVFUMDSRGHHBB-LPHOPBHVSA-N 2 2 359.474 0.936 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112020606 1182382752 /nfs/dbraw/zinc/38/27/52/1182382752.db2.gz PRVFUMDSRGHHBB-LPHOPBHVSA-N 2 2 359.474 0.936 20 30 FCEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001105330106 1183274759 /nfs/dbraw/zinc/27/47/59/1183274759.db2.gz OPSOMYPPFOQOHO-HZPDHXFCSA-N 2 2 353.430 0.312 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2CC)C1=O ZINC001087797838 1189828679 /nfs/dbraw/zinc/82/86/79/1189828679.db2.gz LJDBGMABJQYPEG-GVDBMIGSSA-N 2 2 359.474 0.719 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2CC)C1=O ZINC001087797838 1189828680 /nfs/dbraw/zinc/82/86/80/1189828680.db2.gz LJDBGMABJQYPEG-GVDBMIGSSA-N 2 2 359.474 0.719 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC000984823704 1190162671 /nfs/dbraw/zinc/16/26/71/1190162671.db2.gz BAZWQJHQFGUAPJ-HHARLNAUSA-N 2 2 371.485 0.795 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC ZINC000985048766 1190482145 /nfs/dbraw/zinc/48/21/45/1190482145.db2.gz OUEZQRYBGRLGJK-MLHJIOFPSA-N 2 2 362.518 0.920 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC ZINC000985048766 1190482149 /nfs/dbraw/zinc/48/21/49/1190482149.db2.gz OUEZQRYBGRLGJK-MLHJIOFPSA-N 2 2 362.518 0.920 20 30 FCEDLP C[NH2+][C@H]1C[C@@H](Oc2ccc(C[C@H]([NH3+])C(=O)ON3C(=O)CCC3=O)cc2)C1 ZINC001217957285 1224133246 /nfs/dbraw/zinc/13/32/46/1224133246.db2.gz VYAXVXVNFKXCGC-CFVMTHIKSA-N 2 2 361.398 0.293 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218327251 1224154255 /nfs/dbraw/zinc/15/42/55/1224154255.db2.gz PHJXVFPGJYPVSJ-DRPJVOAASA-N 2 2 373.409 0.150 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228866 /nfs/dbraw/zinc/22/88/66/1194228866.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228871 /nfs/dbraw/zinc/22/88/71/1194228871.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228876 /nfs/dbraw/zinc/22/88/76/1194228876.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228881 /nfs/dbraw/zinc/22/88/81/1194228881.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 2 371.481 0.497 20 30 FCEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446124 1195586369 /nfs/dbraw/zinc/58/63/69/1195586369.db2.gz DFTQPVNYZLWETF-WOJBJXKFSA-N 2 2 358.486 0.978 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000913519595 1196451113 /nfs/dbraw/zinc/45/11/13/1196451113.db2.gz GTYKWLVXOMHCIJ-UHFFFAOYSA-N 2 2 357.458 0.192 20 30 FCEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991972235 1196889768 /nfs/dbraw/zinc/88/97/68/1196889768.db2.gz FWNSUPSMDFRBTI-DOADOZAASA-N 2 2 361.486 0.613 20 30 FCEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991972235 1196889769 /nfs/dbraw/zinc/88/97/69/1196889769.db2.gz FWNSUPSMDFRBTI-DOADOZAASA-N 2 2 361.486 0.613 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153543 1197314922 /nfs/dbraw/zinc/31/49/22/1197314922.db2.gz HSWPKMYLSLIKQN-HZPDHXFCSA-N 2 2 371.485 0.195 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307957 1197853445 /nfs/dbraw/zinc/85/34/45/1197853445.db2.gz VYUQLLPZYLZCLD-GDBMZVCRSA-N 2 2 361.490 0.913 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101632 1201266366 /nfs/dbraw/zinc/26/63/66/1201266366.db2.gz XPLZXQFNPFNXFX-YVSFHVDLSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101632 1201266370 /nfs/dbraw/zinc/26/63/70/1201266370.db2.gz XPLZXQFNPFNXFX-YVSFHVDLSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101632 1201266375 /nfs/dbraw/zinc/26/63/75/1201266375.db2.gz XPLZXQFNPFNXFX-YVSFHVDLSA-N 2 2 361.490 0.422 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101632 1201266378 /nfs/dbraw/zinc/26/63/78/1201266378.db2.gz XPLZXQFNPFNXFX-YVSFHVDLSA-N 2 2 361.490 0.422 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1n1ccnn1 ZINC001129854925 1201405687 /nfs/dbraw/zinc/40/56/87/1201405687.db2.gz CUHMMKMRJOUFPM-SJORKVTESA-N 2 2 363.425 0.913 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129919373 1201441571 /nfs/dbraw/zinc/44/15/71/1201441571.db2.gz VQODHPQBVJYPLE-OAGGEKHMSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130216475 1201547935 /nfs/dbraw/zinc/54/79/35/1201547935.db2.gz YMBIUDVRMXFUOU-DZKIICNBSA-N 2 2 364.494 0.655 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251506 1201569948 /nfs/dbraw/zinc/56/99/48/1201569948.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 2 2 364.494 0.799 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251506 1201569953 /nfs/dbraw/zinc/56/99/53/1201569953.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 2 2 364.494 0.799 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001130310387 1201582909 /nfs/dbraw/zinc/58/29/09/1201582909.db2.gz DYYHNLMDFNKELE-XLIONFOSSA-N 2 2 371.485 0.772 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632707 1202739435 /nfs/dbraw/zinc/73/94/35/1202739435.db2.gz NMVUTMMTQPOHLM-DOTOQJQBSA-N 2 2 354.458 0.694 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130782986 1202794579 /nfs/dbraw/zinc/79/45/79/1202794579.db2.gz IPXKSNXECHTOFV-QKPAOTATSA-N 2 2 374.489 0.594 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130782986 1202794590 /nfs/dbraw/zinc/79/45/90/1202794590.db2.gz IPXKSNXECHTOFV-QKPAOTATSA-N 2 2 374.489 0.594 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790010 1202797811 /nfs/dbraw/zinc/79/78/11/1202797811.db2.gz CMWQDAHHOQGFTC-LSDHHAIUSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790010 1202797814 /nfs/dbraw/zinc/79/78/14/1202797814.db2.gz CMWQDAHHOQGFTC-LSDHHAIUSA-N 2 2 362.478 0.901 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316503 1202886327 /nfs/dbraw/zinc/88/63/27/1202886327.db2.gz LODVEFGTHUAXAK-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316503 1202886329 /nfs/dbraw/zinc/88/63/29/1202886329.db2.gz LODVEFGTHUAXAK-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316503 1202886331 /nfs/dbraw/zinc/88/63/31/1202886331.db2.gz LODVEFGTHUAXAK-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316503 1202886333 /nfs/dbraw/zinc/88/63/33/1202886333.db2.gz LODVEFGTHUAXAK-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1cnn(C)c1 ZINC001086979812 1204877604 /nfs/dbraw/zinc/87/76/04/1204877604.db2.gz UHGNFINBUJFZDM-ZWKOTPCHSA-N 2 2 366.469 0.713 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985089 1204879524 /nfs/dbraw/zinc/87/95/24/1204879524.db2.gz TUPOXTPHMANONK-HYVNUMGLSA-N 2 2 354.458 0.949 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984851 1204879534 /nfs/dbraw/zinc/87/95/34/1204879534.db2.gz HSBDNJWCWWDXJS-FHLIZLRMSA-N 2 2 354.458 0.949 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985194 1204879821 /nfs/dbraw/zinc/87/98/21/1204879821.db2.gz YANSJLQDMFJNKH-BHYGNILZSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087059920 1204945557 /nfs/dbraw/zinc/94/55/57/1204945557.db2.gz ATRRHAHTWZMJLE-HYVNUMGLSA-N 2 2 361.446 0.120 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087059920 1204945569 /nfs/dbraw/zinc/94/55/69/1204945569.db2.gz ATRRHAHTWZMJLE-HYVNUMGLSA-N 2 2 361.446 0.120 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092136925 1205178050 /nfs/dbraw/zinc/17/80/50/1205178050.db2.gz BYMUNABXBMZMFG-CLCXKQKWSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092136925 1205178055 /nfs/dbraw/zinc/17/80/55/1205178055.db2.gz BYMUNABXBMZMFG-CLCXKQKWSA-N 2 2 357.458 0.519 20 30 FCEDLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c1 ZINC001110143240 1206069320 /nfs/dbraw/zinc/06/93/20/1206069320.db2.gz XZFMHBQEUSADKU-SQNIBIBYSA-N 2 2 369.469 0.723 20 30 FCEDLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c1 ZINC001110143240 1206069323 /nfs/dbraw/zinc/06/93/23/1206069323.db2.gz XZFMHBQEUSADKU-SQNIBIBYSA-N 2 2 369.469 0.723 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC=C)CC1 ZINC001110146407 1206091028 /nfs/dbraw/zinc/09/10/28/1206091028.db2.gz ZDQORKQNBHLKIA-SQNIBIBYSA-N 2 2 358.486 0.355 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC=C)CC1 ZINC001110146407 1206091029 /nfs/dbraw/zinc/09/10/29/1206091029.db2.gz ZDQORKQNBHLKIA-SQNIBIBYSA-N 2 2 358.486 0.355 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CC1 ZINC001110152261 1206170981 /nfs/dbraw/zinc/17/09/81/1206170981.db2.gz LUKQNNVZFKAJPD-QYZOEREBSA-N 2 2 374.529 0.825 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CC1 ZINC001110152261 1206170982 /nfs/dbraw/zinc/17/09/82/1206170982.db2.gz LUKQNNVZFKAJPD-QYZOEREBSA-N 2 2 374.529 0.825 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159887 1206238600 /nfs/dbraw/zinc/23/86/00/1206238600.db2.gz YWDCRNUXXPCKJM-ILXRZTDVSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159887 1206238606 /nfs/dbraw/zinc/23/86/06/1206238606.db2.gz YWDCRNUXXPCKJM-ILXRZTDVSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159887 1206238609 /nfs/dbraw/zinc/23/86/09/1206238609.db2.gz YWDCRNUXXPCKJM-ILXRZTDVSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159887 1206238613 /nfs/dbraw/zinc/23/86/13/1206238613.db2.gz YWDCRNUXXPCKJM-ILXRZTDVSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469340 1206471630 /nfs/dbraw/zinc/47/16/30/1206471630.db2.gz BPCTWGPUKLUVGH-KURKYZTESA-N 2 2 367.490 0.259 20 30 FCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953857 1206489144 /nfs/dbraw/zinc/48/91/44/1206489144.db2.gz HRAIYVLGBSMLEX-FGTMMUONSA-N 2 2 358.490 0.895 20 30 FCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953857 1206489146 /nfs/dbraw/zinc/48/91/46/1206489146.db2.gz HRAIYVLGBSMLEX-FGTMMUONSA-N 2 2 358.490 0.895 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348538 1207449696 /nfs/dbraw/zinc/44/96/96/1207449696.db2.gz CYRASCRJZSVIAT-SUNYJGFJSA-N 2 2 365.437 0.847 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348538 1207449699 /nfs/dbraw/zinc/44/96/99/1207449699.db2.gz CYRASCRJZSVIAT-SUNYJGFJSA-N 2 2 365.437 0.847 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481582 1207687253 /nfs/dbraw/zinc/68/72/53/1207687253.db2.gz WQCPAUJOPTUDHT-DLBZAZTESA-N 2 2 359.474 0.840 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481582 1207687256 /nfs/dbraw/zinc/68/72/56/1207687256.db2.gz WQCPAUJOPTUDHT-DLBZAZTESA-N 2 2 359.474 0.840 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755204 1207890197 /nfs/dbraw/zinc/89/01/97/1207890197.db2.gz HXSHWOYDNPQFNA-FGTMMUONSA-N 2 2 365.522 0.945 20 30 FCEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755204 1207890200 /nfs/dbraw/zinc/89/02/00/1207890200.db2.gz HXSHWOYDNPQFNA-FGTMMUONSA-N 2 2 365.522 0.945 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001195972922 1208048638 /nfs/dbraw/zinc/04/86/38/1208048638.db2.gz MASPOQAGHNRKRX-KZNAEPCWSA-N 2 2 362.449 0.945 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738315 1225046377 /nfs/dbraw/zinc/04/63/77/1225046377.db2.gz WZEQVOCVIBDMPK-HBFSDRIKSA-N 2 2 361.486 0.827 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738315 1225046384 /nfs/dbraw/zinc/04/63/84/1225046384.db2.gz WZEQVOCVIBDMPK-HBFSDRIKSA-N 2 2 361.486 0.827 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198690430 1208278201 /nfs/dbraw/zinc/27/82/01/1208278201.db2.gz XOBZFRBWBTWJRK-DFQSSKMNSA-N 2 2 371.481 0.168 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198690430 1208278210 /nfs/dbraw/zinc/27/82/10/1208278210.db2.gz XOBZFRBWBTWJRK-DFQSSKMNSA-N 2 2 371.481 0.168 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104475 1208318788 /nfs/dbraw/zinc/31/87/88/1208318788.db2.gz NGJFAAFZPNFXSD-BRWVUGGUSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104475 1208318790 /nfs/dbraw/zinc/31/87/90/1208318790.db2.gz NGJFAAFZPNFXSD-BRWVUGGUSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104475 1208318792 /nfs/dbraw/zinc/31/87/92/1208318792.db2.gz NGJFAAFZPNFXSD-BRWVUGGUSA-N 2 2 368.522 0.301 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857137 1209568129 /nfs/dbraw/zinc/56/81/29/1209568129.db2.gz JWEUQTSTVVWFHK-UHFFFAOYSA-N 2 2 353.430 0.015 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657974 1209574354 /nfs/dbraw/zinc/57/43/54/1209574354.db2.gz HBYAGUNOOKBAHE-MLHJIOFPSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657974 1209574360 /nfs/dbraw/zinc/57/43/60/1209574360.db2.gz HBYAGUNOOKBAHE-MLHJIOFPSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657974 1209574368 /nfs/dbraw/zinc/57/43/68/1209574368.db2.gz HBYAGUNOOKBAHE-MLHJIOFPSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657974 1209574375 /nfs/dbraw/zinc/57/43/75/1209574375.db2.gz HBYAGUNOOKBAHE-MLHJIOFPSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765848 1209811404 /nfs/dbraw/zinc/81/14/04/1209811404.db2.gz TXRFQQOOGJJEOX-HZMVEIRTSA-N 2 2 358.486 0.474 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765848 1209811407 /nfs/dbraw/zinc/81/14/07/1209811407.db2.gz TXRFQQOOGJJEOX-HZMVEIRTSA-N 2 2 358.486 0.474 20 30 FCEDLP C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875599353 1210382597 /nfs/dbraw/zinc/38/25/97/1210382597.db2.gz INQDYBQBUFQCEU-MRXNPFEDSA-N 2 2 366.506 0.015 20 30 FCEDLP C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875599353 1210382599 /nfs/dbraw/zinc/38/25/99/1210382599.db2.gz INQDYBQBUFQCEU-MRXNPFEDSA-N 2 2 366.506 0.015 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412289 1210733887 /nfs/dbraw/zinc/73/38/87/1210733887.db2.gz MZWWNDFKELMIKY-URTYCYGZSA-N 3 2 359.518 0.753 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412289 1210733893 /nfs/dbraw/zinc/73/38/93/1210733893.db2.gz MZWWNDFKELMIKY-URTYCYGZSA-N 3 2 359.518 0.753 20 30 FCEDLP N#Cc1ccc(CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183142 1225258952 /nfs/dbraw/zinc/25/89/52/1225258952.db2.gz FBMRLCPFQGEWFH-JYJNAYRXSA-N 2 2 368.445 0.240 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275031517 1211167525 /nfs/dbraw/zinc/16/75/25/1211167525.db2.gz NWEUHZHGFFJZER-ARFHVFGLSA-N 2 2 359.474 0.797 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948908 1211610581 /nfs/dbraw/zinc/61/05/81/1211610581.db2.gz PWOJXKGABNZGMG-DZUCGIPZSA-N 2 2 372.469 0.814 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948908 1211610583 /nfs/dbraw/zinc/61/05/83/1211610583.db2.gz PWOJXKGABNZGMG-DZUCGIPZSA-N 2 2 372.469 0.814 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560731 1225366957 /nfs/dbraw/zinc/36/69/57/1225366957.db2.gz DKEILXUHXBNSBZ-GVDBMIGSSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560731 1225366963 /nfs/dbraw/zinc/36/69/63/1225366963.db2.gz DKEILXUHXBNSBZ-GVDBMIGSSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221869733 1225514969 /nfs/dbraw/zinc/51/49/69/1225514969.db2.gz WCCCPYIKGALTJQ-KBAYOESNSA-N 2 2 371.485 0.642 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221869733 1225514972 /nfs/dbraw/zinc/51/49/72/1225514972.db2.gz WCCCPYIKGALTJQ-KBAYOESNSA-N 2 2 371.485 0.642 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889797 1225523722 /nfs/dbraw/zinc/52/37/22/1225523722.db2.gz QFXCPSFHTDMPHC-RCCFBDPRSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889797 1225523728 /nfs/dbraw/zinc/52/37/28/1225523728.db2.gz QFXCPSFHTDMPHC-RCCFBDPRSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050102254 1216284658 /nfs/dbraw/zinc/28/46/58/1216284658.db2.gz RSKUDJNDXTZXBE-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050102254 1216284670 /nfs/dbraw/zinc/28/46/70/1216284670.db2.gz RSKUDJNDXTZXBE-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891602 1225663049 /nfs/dbraw/zinc/66/30/49/1225663049.db2.gz FWOSHDFKDOSHKJ-ZACQAIPSSA-N 2 2 371.485 0.986 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891602 1225663052 /nfs/dbraw/zinc/66/30/52/1225663052.db2.gz FWOSHDFKDOSHKJ-ZACQAIPSSA-N 2 2 371.485 0.986 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945773 1216859142 /nfs/dbraw/zinc/85/91/42/1216859142.db2.gz VTTUHVWIZXBVTC-PMPSAXMXSA-N 2 2 353.430 0.417 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945773 1216859144 /nfs/dbraw/zinc/85/91/44/1216859144.db2.gz VTTUHVWIZXBVTC-PMPSAXMXSA-N 2 2 353.430 0.417 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962260 1216869503 /nfs/dbraw/zinc/86/95/03/1216869503.db2.gz MYZUJALHPZRSIT-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962260 1216869506 /nfs/dbraw/zinc/86/95/06/1216869506.db2.gz MYZUJALHPZRSIT-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001223580033 1225718065 /nfs/dbraw/zinc/71/80/65/1225718065.db2.gz JTKSBWCTVOKFQQ-BBWFWOEESA-N 2 2 357.458 0.506 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001223580033 1225718069 /nfs/dbraw/zinc/71/80/69/1225718069.db2.gz JTKSBWCTVOKFQQ-BBWFWOEESA-N 2 2 357.458 0.506 20 30 FCEDLP C[NH+]1CCN(CCCN2C(=O)C[C@]3(CCC[N@H+](CCC#N)C3)C2=O)CC1 ZINC001276949919 1225760061 /nfs/dbraw/zinc/76/00/61/1225760061.db2.gz YRNWOOHNKFAQPS-IBGZPJMESA-N 2 2 361.490 0.379 20 30 FCEDLP 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C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001160744513 1223170440 /nfs/dbraw/zinc/17/04/40/1223170440.db2.gz KBYZWKSTHORAGU-MOPGFXCFSA-N 2 2 361.486 0.638 20 30 FCEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001160744513 1223170445 /nfs/dbraw/zinc/17/04/45/1223170445.db2.gz KBYZWKSTHORAGU-MOPGFXCFSA-N 2 2 361.486 0.638 20 30 FCEDLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ncc3c(c2C#N)CCC[NH2+]C3)cn1 ZINC001163412196 1223229872 /nfs/dbraw/zinc/22/98/72/1223229872.db2.gz NDYLFSZTXIGVBW-INIZCTEOSA-N 2 2 354.414 0.608 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967321 1223290473 /nfs/dbraw/zinc/29/04/73/1223290473.db2.gz JQMSDCIRBFMNQJ-HZPDHXFCSA-N 2 2 359.474 0.820 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213625356 1223825147 /nfs/dbraw/zinc/82/51/47/1223825147.db2.gz XBQXOSZYRMPRHH-QZTJIDSGSA-N 2 2 371.441 0.899 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213625356 1223825150 /nfs/dbraw/zinc/82/51/50/1223825150.db2.gz XBQXOSZYRMPRHH-QZTJIDSGSA-N 2 2 371.441 0.899 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671551 1223830278 /nfs/dbraw/zinc/83/02/78/1223830278.db2.gz LXUCMZRBOOIFFN-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671551 1223830279 /nfs/dbraw/zinc/83/02/79/1223830279.db2.gz LXUCMZRBOOIFFN-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671551 1223830282 /nfs/dbraw/zinc/83/02/82/1223830282.db2.gz LXUCMZRBOOIFFN-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671551 1223830284 /nfs/dbraw/zinc/83/02/84/1223830284.db2.gz LXUCMZRBOOIFFN-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868315 1223864377 /nfs/dbraw/zinc/86/43/77/1223864377.db2.gz NQDWSCRTBZNYEZ-IAGOWNOFSA-N 2 2 366.506 0.370 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868315 1223864378 /nfs/dbraw/zinc/86/43/78/1223864378.db2.gz NQDWSCRTBZNYEZ-IAGOWNOFSA-N 2 2 366.506 0.370 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005695 1223962792 /nfs/dbraw/zinc/96/27/92/1223962792.db2.gz DXHBJNVTSQFOTQ-SUYBPPKGSA-N 2 2 357.458 0.009 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005695 1223962794 /nfs/dbraw/zinc/96/27/94/1223962794.db2.gz DXHBJNVTSQFOTQ-SUYBPPKGSA-N 2 2 357.458 0.009 20 30 FCEDLP C=CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)COC ZINC001328281149 1265521602 /nfs/dbraw/zinc/52/16/02/1265521602.db2.gz JFANWYQDDRCFKJ-INIZCTEOSA-N 2 2 368.522 0.520 20 30 FCEDLP C=CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)COC ZINC001328281149 1265521606 /nfs/dbraw/zinc/52/16/06/1265521606.db2.gz JFANWYQDDRCFKJ-INIZCTEOSA-N 2 2 368.522 0.520 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997358223 1251558256 /nfs/dbraw/zinc/55/82/56/1251558256.db2.gz WRCXUINUJTWZOW-SQNIBIBYSA-N 2 2 369.469 0.546 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CC1 ZINC001003363022 1252873821 /nfs/dbraw/zinc/87/38/21/1252873821.db2.gz JTEFJRNBVMDLCD-KURKYZTESA-N 2 2 369.469 0.476 20 30 FCEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005601 1255161196 /nfs/dbraw/zinc/16/11/96/1255161196.db2.gz GJJIRBJMDKKFDL-BHIYHBOVSA-N 2 2 359.445 0.680 20 30 FCEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005601 1255161200 /nfs/dbraw/zinc/16/12/00/1255161200.db2.gz GJJIRBJMDKKFDL-BHIYHBOVSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005601 1255161204 /nfs/dbraw/zinc/16/12/04/1255161204.db2.gz GJJIRBJMDKKFDL-BHIYHBOVSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078005601 1255161210 /nfs/dbraw/zinc/16/12/10/1255161210.db2.gz GJJIRBJMDKKFDL-BHIYHBOVSA-N 2 2 359.445 0.680 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179027 1255293125 /nfs/dbraw/zinc/29/31/25/1255293125.db2.gz ONBVNGQBOGUXKT-QZTJIDSGSA-N 2 2 358.442 0.346 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179027 1255293131 /nfs/dbraw/zinc/29/31/31/1255293131.db2.gz ONBVNGQBOGUXKT-QZTJIDSGSA-N 2 2 358.442 0.346 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001079878025 1255648179 /nfs/dbraw/zinc/64/81/79/1255648179.db2.gz BJPAFBCMGUPHTA-OLMNPRSZSA-N 2 2 358.490 0.429 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001079878025 1255648182 /nfs/dbraw/zinc/64/81/82/1255648182.db2.gz BJPAFBCMGUPHTA-OLMNPRSZSA-N 2 2 358.490 0.429 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001079878025 1255648188 /nfs/dbraw/zinc/64/81/88/1255648188.db2.gz BJPAFBCMGUPHTA-OLMNPRSZSA-N 2 2 358.490 0.429 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001079878025 1255648191 /nfs/dbraw/zinc/64/81/91/1255648191.db2.gz BJPAFBCMGUPHTA-OLMNPRSZSA-N 2 2 358.490 0.429 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC001330465611 1266032821 /nfs/dbraw/zinc/03/28/21/1266032821.db2.gz GSDVIHASEOKNLN-CVEARBPZSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC001330465611 1266032832 /nfs/dbraw/zinc/03/28/32/1266032832.db2.gz GSDVIHASEOKNLN-CVEARBPZSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2OC)CC1 ZINC001082383135 1256732904 /nfs/dbraw/zinc/73/29/04/1256732904.db2.gz JVZGHEZMADVZJT-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2OC)CC1 ZINC001082383135 1256732910 /nfs/dbraw/zinc/73/29/10/1256732910.db2.gz JVZGHEZMADVZJT-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC1 ZINC001082941551 1257159696 /nfs/dbraw/zinc/15/96/96/1257159696.db2.gz XAIPYRFUZPVCSL-RHSMWYFYSA-N 2 2 370.501 0.964 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001085063386 1258558466 /nfs/dbraw/zinc/55/84/66/1258558466.db2.gz NZJUXLZMCIUSJK-JYJNAYRXSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001085063386 1258558471 /nfs/dbraw/zinc/55/84/71/1258558471.db2.gz NZJUXLZMCIUSJK-JYJNAYRXSA-N 2 2 357.458 0.662 20 30 FCEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212301483 1259458740 /nfs/dbraw/zinc/45/87/40/1259458740.db2.gz WBRNYKVKYCTJMC-GVDBMIGSSA-N 2 2 362.474 0.862 20 30 FCEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212301483 1259458745 /nfs/dbraw/zinc/45/87/45/1259458745.db2.gz WBRNYKVKYCTJMC-GVDBMIGSSA-N 2 2 362.474 0.862 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403731 1259492385 /nfs/dbraw/zinc/49/23/85/1259492385.db2.gz SVCUFLZROIATIU-GVDBMIGSSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403731 1259492390 /nfs/dbraw/zinc/49/23/90/1259492390.db2.gz SVCUFLZROIATIU-GVDBMIGSSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403731 1259492394 /nfs/dbraw/zinc/49/23/94/1259492394.db2.gz SVCUFLZROIATIU-GVDBMIGSSA-N 2 2 366.506 0.367 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403731 1259492397 /nfs/dbraw/zinc/49/23/97/1259492397.db2.gz SVCUFLZROIATIU-GVDBMIGSSA-N 2 2 366.506 0.367 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212419785 1259499262 /nfs/dbraw/zinc/49/92/62/1259499262.db2.gz BXLAKUCWFCOZOG-CEXWTWQISA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212419785 1259499266 /nfs/dbraw/zinc/49/92/66/1259499266.db2.gz BXLAKUCWFCOZOG-CEXWTWQISA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1OC ZINC001212419785 1259499270 /nfs/dbraw/zinc/49/92/70/1259499270.db2.gz BXLAKUCWFCOZOG-CEXWTWQISA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1OC ZINC001212419785 1259499273 /nfs/dbraw/zinc/49/92/73/1259499273.db2.gz BXLAKUCWFCOZOG-CEXWTWQISA-N 2 2 363.502 0.716 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]2C1 ZINC001237465378 1259600527 /nfs/dbraw/zinc/60/05/27/1259600527.db2.gz SRBCGHBCBCQTAW-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]2C1 ZINC001237465378 1259600531 /nfs/dbraw/zinc/60/05/31/1259600531.db2.gz SRBCGHBCBCQTAW-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@@H]2C1 ZINC001237465378 1259600541 /nfs/dbraw/zinc/60/05/41/1259600541.db2.gz SRBCGHBCBCQTAW-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@@H]2C1 ZINC001237465378 1259600548 /nfs/dbraw/zinc/60/05/48/1259600548.db2.gz SRBCGHBCBCQTAW-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265440049 1260412385 /nfs/dbraw/zinc/41/23/85/1260412385.db2.gz BPCTWGPUKLUVGH-KSZLIROESA-N 2 2 367.490 0.259 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH+](C)CCO2)cc1C#N ZINC001273217892 1260627925 /nfs/dbraw/zinc/62/79/25/1260627925.db2.gz NYUCGLBYLUPTAI-OKZBNKHCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH+](C)CCO2)cc1C#N ZINC001273217892 1260627934 /nfs/dbraw/zinc/62/79/34/1260627934.db2.gz NYUCGLBYLUPTAI-OKZBNKHCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC001273217892 1260627946 /nfs/dbraw/zinc/62/79/46/1260627946.db2.gz NYUCGLBYLUPTAI-OKZBNKHCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001273217892 1260627951 /nfs/dbraw/zinc/62/79/51/1260627951.db2.gz NYUCGLBYLUPTAI-OKZBNKHCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH+]ccc2N)cc1C#N ZINC001279616528 1260900160 /nfs/dbraw/zinc/90/01/60/1260900160.db2.gz AKTBPQKSTHPNBW-HDICACEKSA-N 2 2 352.442 0.790 20 30 FCEDLP Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH+]ccc2N)cc1C#N ZINC001279616528 1260900166 /nfs/dbraw/zinc/90/01/66/1260900166.db2.gz AKTBPQKSTHPNBW-HDICACEKSA-N 2 2 352.442 0.790 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC001322710706 1264248137 /nfs/dbraw/zinc/24/81/37/1264248137.db2.gz RQNYUWIRMWXGJX-KRWDZBQOSA-N 2 2 369.469 0.459 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC001322710706 1264248141 /nfs/dbraw/zinc/24/81/41/1264248141.db2.gz RQNYUWIRMWXGJX-KRWDZBQOSA-N 2 2 369.469 0.459 20 30 FCEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324239972 1264602204 /nfs/dbraw/zinc/60/22/04/1264602204.db2.gz OLPSTLVRRBTOGI-MRXNPFEDSA-N 2 2 370.457 0.519 20 30 FCEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324239972 1264602211 /nfs/dbraw/zinc/60/22/11/1264602211.db2.gz OLPSTLVRRBTOGI-MRXNPFEDSA-N 2 2 370.457 0.519 20 30 FCEDLP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001339869668 1268354090 /nfs/dbraw/zinc/35/40/90/1268354090.db2.gz VXHOOAJUOISDIQ-UHFFFAOYSA-N 2 2 359.478 0.980 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC2CCOCC2)CC1 ZINC001574706433 1271496875 /nfs/dbraw/zinc/49/68/75/1271496875.db2.gz CREFGZMKOJFPDO-UHFFFAOYSA-N 2 2 372.517 0.927 20 30 FCEDLP CN1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2)CC1 ZINC001578536388 1275964269 /nfs/dbraw/zinc/96/42/69/1275964269.db2.gz OYZZJLQANLOXEF-QZTJIDSGSA-N 2 2 356.474 0.345 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351283 1282447657 /nfs/dbraw/zinc/44/76/57/1282447657.db2.gz MSZZQNKGDJOUCP-BBRMVZONSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351283 1282447659 /nfs/dbraw/zinc/44/76/59/1282447659.db2.gz MSZZQNKGDJOUCP-BBRMVZONSA-N 2 2 368.445 0.006 20 30 FCEDLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCC[NH2+]CC(=O)NCC#N ZINC001692125671 1289401901 /nfs/dbraw/zinc/40/19/01/1289401901.db2.gz MFQAPIYTBRWCJL-HZPDHXFCSA-N 2 2 360.462 0.520 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1OCC ZINC001689071524 1294593202 /nfs/dbraw/zinc/59/32/02/1294593202.db2.gz WYVHUPBCSXQSKP-NZSAHSFTSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1OCC ZINC001689071524 1294593212 /nfs/dbraw/zinc/59/32/12/1294593212.db2.gz WYVHUPBCSXQSKP-NZSAHSFTSA-N 2 2 363.502 0.716 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001689312719 1294738756 /nfs/dbraw/zinc/73/87/56/1294738756.db2.gz ITUZOKZJZRBEES-UNEWFSDZSA-N 2 2 359.474 0.635 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001689312719 1294738761 /nfs/dbraw/zinc/73/87/61/1294738761.db2.gz ITUZOKZJZRBEES-UNEWFSDZSA-N 2 2 359.474 0.635 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657361 840512830 /nfs/dbraw/zinc/51/28/30/840512830.db2.gz USPFXWPXIOGDTP-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737491 842113208 /nfs/dbraw/zinc/11/32/08/842113208.db2.gz PARCDYWOUBTSMF-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737491 842113218 /nfs/dbraw/zinc/11/32/18/842113218.db2.gz PARCDYWOUBTSMF-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848086 843319486 /nfs/dbraw/zinc/31/94/86/843319486.db2.gz OPXJEFYZHPNJFQ-TVFCKZIOSA-N 2 2 351.491 0.736 20 30 FCEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848086 843319492 /nfs/dbraw/zinc/31/94/92/843319492.db2.gz OPXJEFYZHPNJFQ-TVFCKZIOSA-N 2 2 351.491 0.736 20 30 FCEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545691 843441949 /nfs/dbraw/zinc/44/19/49/843441949.db2.gz OMLWWJNCSIDPQA-CRAIPNDOSA-N 2 2 351.491 0.973 20 30 FCEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545691 843441952 /nfs/dbraw/zinc/44/19/52/843441952.db2.gz OMLWWJNCSIDPQA-CRAIPNDOSA-N 2 2 351.491 0.973 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724160 845722373 /nfs/dbraw/zinc/72/23/73/845722373.db2.gz DZAUUJHVXAIIPF-PMPSAXMXSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724160 845722380 /nfs/dbraw/zinc/72/23/80/845722380.db2.gz DZAUUJHVXAIIPF-PMPSAXMXSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724160 845722383 /nfs/dbraw/zinc/72/23/83/845722383.db2.gz DZAUUJHVXAIIPF-PMPSAXMXSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724160 845722386 /nfs/dbraw/zinc/72/23/86/845722386.db2.gz DZAUUJHVXAIIPF-PMPSAXMXSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCOC(=O)N1CCC2(CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)CC1 ZINC001157565240 849981418 /nfs/dbraw/zinc/98/14/18/849981418.db2.gz XYYPAVHDLGRDRW-GJZGRUSLSA-N 2 2 350.463 0.560 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577789 /nfs/dbraw/zinc/57/77/89/854577789.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 2 2 355.479 0.114 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577795 /nfs/dbraw/zinc/57/77/95/854577795.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 2 2 355.479 0.114 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577802 /nfs/dbraw/zinc/57/78/02/854577802.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 2 2 355.479 0.114 20 30 FCEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246948829 857606476 /nfs/dbraw/zinc/60/64/76/857606476.db2.gz MORDSUYZGKOHCU-MSOLQXFVSA-N 2 2 350.507 0.572 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001275283010 861011010 /nfs/dbraw/zinc/01/10/10/861011010.db2.gz XOKVNKKCZJHWOD-BDXSIMOUSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001275283010 861011024 /nfs/dbraw/zinc/01/10/24/861011024.db2.gz XOKVNKKCZJHWOD-BDXSIMOUSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[NH+]1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001275283010 861011040 /nfs/dbraw/zinc/01/10/40/861011040.db2.gz XOKVNKKCZJHWOD-BDXSIMOUSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[NH+]1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001275283010 861011055 /nfs/dbraw/zinc/01/10/55/861011055.db2.gz XOKVNKKCZJHWOD-BDXSIMOUSA-N 2 2 353.507 0.933 20 30 FCEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCS(=O)(=O)C3)cc2F)CC1 ZINC001317902028 867575233 /nfs/dbraw/zinc/57/52/33/867575233.db2.gz ZKTQNDGFNUSVJY-AWEZNQCLSA-N 2 2 354.451 0.688 20 30 FCEDLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000285156684 213293915 /nfs/dbraw/zinc/29/39/15/213293915.db2.gz SZKIIMFLDNIQDP-UHFFFAOYSA-N 2 2 369.469 0.413 20 30 FCEDLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000285156684 213293918 /nfs/dbraw/zinc/29/39/18/213293918.db2.gz SZKIIMFLDNIQDP-UHFFFAOYSA-N 2 2 369.469 0.413 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423654053 247094303 /nfs/dbraw/zinc/09/43/03/247094303.db2.gz AGLDCSORCCFABB-QGZVFWFLSA-N 2 2 355.442 0.152 20 30 FCEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861020 208041286 /nfs/dbraw/zinc/04/12/86/208041286.db2.gz MEUOUTOXOXEZLC-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861020 208041291 /nfs/dbraw/zinc/04/12/91/208041291.db2.gz MEUOUTOXOXEZLC-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861020 208041297 /nfs/dbraw/zinc/04/12/97/208041297.db2.gz MEUOUTOXOXEZLC-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861020 208041305 /nfs/dbraw/zinc/04/13/05/208041305.db2.gz MEUOUTOXOXEZLC-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP NC(=[NH+]OCC(=O)N1CCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000109322452 229164956 /nfs/dbraw/zinc/16/49/56/229164956.db2.gz DJZGPUKDJIWMJC-UHFFFAOYSA-N 2 2 360.458 0.903 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083720775 488448755 /nfs/dbraw/zinc/44/87/55/488448755.db2.gz IBWXSINQFOVTFZ-QGZVFWFLSA-N 2 2 354.495 0.361 20 30 FCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269680582 488512538 /nfs/dbraw/zinc/51/25/38/488512538.db2.gz FLDNPQGXNVIUIQ-STQMWFEESA-N 2 2 374.532 0.271 20 30 FCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269680582 488512541 /nfs/dbraw/zinc/51/25/41/488512541.db2.gz FLDNPQGXNVIUIQ-STQMWFEESA-N 2 2 374.532 0.271 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000249700264 488514028 /nfs/dbraw/zinc/51/40/28/488514028.db2.gz XLVYGJUQXTZVDX-MRXNPFEDSA-N 2 2 356.474 0.628 20 30 FCEDLP C[NH+]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000109936820 488524521 /nfs/dbraw/zinc/52/45/21/488524521.db2.gz BINNVNBPLHVYJC-UHFFFAOYSA-N 2 2 355.486 0.840 20 30 FCEDLP C[NH+]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000109936820 488524523 /nfs/dbraw/zinc/52/45/23/488524523.db2.gz BINNVNBPLHVYJC-UHFFFAOYSA-N 2 2 355.486 0.840 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000112904628 488536431 /nfs/dbraw/zinc/53/64/31/488536431.db2.gz DQEVUDGWQFLJMA-IBGZPJMESA-N 2 2 356.470 0.573 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000112904628 488536433 /nfs/dbraw/zinc/53/64/33/488536433.db2.gz DQEVUDGWQFLJMA-IBGZPJMESA-N 2 2 356.470 0.573 20 30 FCEDLP C[C@H]([C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000329230809 488982881 /nfs/dbraw/zinc/98/28/81/488982881.db2.gz KEBUPPQMBZMPQG-MWDXBVQZSA-N 2 2 354.495 0.805 20 30 FCEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329293204 488990201 /nfs/dbraw/zinc/99/02/01/488990201.db2.gz NVRYUOYLUKOSJA-BBWFWOEESA-N 2 2 364.490 0.750 20 30 FCEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329293204 488990204 /nfs/dbraw/zinc/99/02/04/488990204.db2.gz NVRYUOYLUKOSJA-BBWFWOEESA-N 2 2 364.490 0.750 20 30 FCEDLP C[NH+]1CCC(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329303730 488991623 /nfs/dbraw/zinc/99/16/23/488991623.db2.gz XOVMQBGQBYBRNA-UHFFFAOYSA-N 2 2 360.462 0.889 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000364752862 488997082 /nfs/dbraw/zinc/99/70/82/488997082.db2.gz CXIFEGGXVSJXEZ-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000364752862 488997083 /nfs/dbraw/zinc/99/70/83/488997083.db2.gz CXIFEGGXVSJXEZ-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000329625227 489021899 /nfs/dbraw/zinc/02/18/99/489021899.db2.gz SRJGSVRNEHZTKT-JKSUJKDBSA-N 2 2 352.479 0.560 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000329625227 489021902 /nfs/dbraw/zinc/02/19/02/489021902.db2.gz SRJGSVRNEHZTKT-JKSUJKDBSA-N 2 2 352.479 0.560 20 30 FCEDLP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329812379 489038259 /nfs/dbraw/zinc/03/82/59/489038259.db2.gz DBJSAEHMPVCEQM-HNNXBMFYSA-N 2 2 360.462 0.651 20 30 FCEDLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330336874 489092199 /nfs/dbraw/zinc/09/21/99/489092199.db2.gz ZRMYBXROVMCHTC-GOEBONIOSA-N 2 2 350.463 0.503 20 30 FCEDLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330336874 489092206 /nfs/dbraw/zinc/09/22/06/489092206.db2.gz ZRMYBXROVMCHTC-GOEBONIOSA-N 2 2 350.463 0.503 20 30 FCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330346294 489093353 /nfs/dbraw/zinc/09/33/53/489093353.db2.gz GIWSJYSZQZMIIO-QGZVFWFLSA-N 2 2 352.479 0.750 20 30 FCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330346294 489093355 /nfs/dbraw/zinc/09/33/55/489093355.db2.gz GIWSJYSZQZMIIO-QGZVFWFLSA-N 2 2 352.479 0.750 20 30 FCEDLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330532477 489113166 /nfs/dbraw/zinc/11/31/66/489113166.db2.gz PXFCHXQASCXMFO-JYJNAYRXSA-N 2 2 369.510 0.009 20 30 FCEDLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330532477 489113168 /nfs/dbraw/zinc/11/31/68/489113168.db2.gz PXFCHXQASCXMFO-JYJNAYRXSA-N 2 2 369.510 0.009 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330536979 489114276 /nfs/dbraw/zinc/11/42/76/489114276.db2.gz SPSLDWXLMFPIQU-PMPSAXMXSA-N 2 2 351.495 0.549 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330536979 489114278 /nfs/dbraw/zinc/11/42/78/489114278.db2.gz SPSLDWXLMFPIQU-PMPSAXMXSA-N 2 2 351.495 0.549 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000366765470 489199665 /nfs/dbraw/zinc/19/96/65/489199665.db2.gz DNBDTINOLAYNAL-QZTJIDSGSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000366765470 489199669 /nfs/dbraw/zinc/19/96/69/489199669.db2.gz DNBDTINOLAYNAL-QZTJIDSGSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765471 489199728 /nfs/dbraw/zinc/19/97/28/489199728.db2.gz DNBDTINOLAYNAL-ROUUACIJSA-N 2 2 358.486 0.476 20 30 FCEDLP O=C(NC1CC1)[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000366765471 489199732 /nfs/dbraw/zinc/19/97/32/489199732.db2.gz DNBDTINOLAYNAL-ROUUACIJSA-N 2 2 358.486 0.476 20 30 FCEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297856865 489252711 /nfs/dbraw/zinc/25/27/11/489252711.db2.gz MQZVIGPEOONNKK-UHFFFAOYSA-N 2 2 357.458 0.222 20 30 FCEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000283676508 489290118 /nfs/dbraw/zinc/29/01/18/489290118.db2.gz VRNXKMLDORULQX-UHFFFAOYSA-N 2 2 355.486 0.840 20 30 FCEDLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423009001 490517138 /nfs/dbraw/zinc/51/71/38/490517138.db2.gz BNBTVCIHIYFUGD-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423012338 490517709 /nfs/dbraw/zinc/51/77/09/490517709.db2.gz KJVZPWVXCLUEIQ-MAUKXSAKSA-N 2 2 369.469 0.398 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[C@H]1[NH3+] ZINC000423013021 490519031 /nfs/dbraw/zinc/51/90/31/490519031.db2.gz LWIYGNWHSWOMPK-CRAIPNDOSA-N 2 2 369.469 0.398 20 30 FCEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000548832701 490546607 /nfs/dbraw/zinc/54/66/07/490546607.db2.gz VZAHMFGYNJGZOB-MRXNPFEDSA-N 2 2 355.446 0.633 20 30 FCEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000548832701 490546613 /nfs/dbraw/zinc/54/66/13/490546613.db2.gz VZAHMFGYNJGZOB-MRXNPFEDSA-N 2 2 355.446 0.633 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528409093 490795318 /nfs/dbraw/zinc/79/53/18/490795318.db2.gz WSFSSVHGWGRLCS-ZWKOTPCHSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528409093 490795321 /nfs/dbraw/zinc/79/53/21/490795321.db2.gz WSFSSVHGWGRLCS-ZWKOTPCHSA-N 2 2 372.469 0.536 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000528424927 490797681 /nfs/dbraw/zinc/79/76/81/490797681.db2.gz ZBCGHUMOOYFMIL-ZWKOTPCHSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000528424927 490797683 /nfs/dbraw/zinc/79/76/83/490797683.db2.gz ZBCGHUMOOYFMIL-ZWKOTPCHSA-N 2 2 372.469 0.712 20 30 FCEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C[NH3+])C1 ZINC000518345392 490936864 /nfs/dbraw/zinc/93/68/64/490936864.db2.gz FKJIQXIWGWPSRK-AQFXKWCLSA-N 2 2 372.473 0.928 20 30 FCEDLP C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C[NH3+])C1 ZINC000518345392 490936866 /nfs/dbraw/zinc/93/68/66/490936866.db2.gz FKJIQXIWGWPSRK-AQFXKWCLSA-N 2 2 372.473 0.928 20 30 FCEDLP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000559184631 491456786 /nfs/dbraw/zinc/45/67/86/491456786.db2.gz ISTVFWFCXJHTKO-INIZCTEOSA-N 2 2 370.457 0.154 20 30 FCEDLP C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673594614 493349930 /nfs/dbraw/zinc/34/99/30/493349930.db2.gz BKPPPNMMVZSRDA-KRWDZBQOSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673594614 493349933 /nfs/dbraw/zinc/34/99/33/493349933.db2.gz BKPPPNMMVZSRDA-KRWDZBQOSA-N 2 2 366.506 0.322 20 30 FCEDLP C(#CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582901893 491831298 /nfs/dbraw/zinc/83/12/98/491831298.db2.gz RKGPITYTEZALAY-QZTJIDSGSA-N 2 2 354.462 0.847 20 30 FCEDLP C(#CC[N@H+]1CCC[C@@H](n2ccnn2)C1)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582901893 491831299 /nfs/dbraw/zinc/83/12/99/491831299.db2.gz RKGPITYTEZALAY-QZTJIDSGSA-N 2 2 354.462 0.847 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264995878 526358441 /nfs/dbraw/zinc/35/84/41/526358441.db2.gz SORRRHWETRONNK-SFHVURJKSA-N 2 2 363.506 0.795 20 30 FCEDLP C[NH+]=C(NC[C@@H]1COCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263248677 526372821 /nfs/dbraw/zinc/37/28/21/526372821.db2.gz NZLHKIRGAKEYPN-MRXNPFEDSA-N 2 2 354.495 0.602 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(Cc2cc(C)on2)CC1 ZINC000262792023 526388666 /nfs/dbraw/zinc/38/86/66/526388666.db2.gz OJZMESJYADAJDR-UHFFFAOYSA-N 2 2 374.493 0.676 20 30 FCEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000261979661 526391573 /nfs/dbraw/zinc/39/15/73/526391573.db2.gz ONVLVPXFTRGQBB-UHFFFAOYSA-N 2 2 366.473 0.888 20 30 FCEDLP CCCCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267459759 528449853 /nfs/dbraw/zinc/44/98/53/528449853.db2.gz UPYGFHXWBMFSAV-UHFFFAOYSA-N 2 2 367.519 0.827 20 30 FCEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155836598 528808220 /nfs/dbraw/zinc/80/82/20/528808220.db2.gz SQLMEZLMZFGPMM-UHFFFAOYSA-N 2 2 369.473 0.980 20 30 FCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178628 529073292 /nfs/dbraw/zinc/07/32/92/529073292.db2.gz KGTMVRZBDVUDKN-NVXWUHKLSA-N 3 2 355.552 0.583 20 30 FCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178628 529073296 /nfs/dbraw/zinc/07/32/96/529073296.db2.gz KGTMVRZBDVUDKN-NVXWUHKLSA-N 3 2 355.552 0.583 20 30 FCEDLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329979799 546576305 /nfs/dbraw/zinc/57/63/05/546576305.db2.gz KFZJDKRHPDVJIJ-IAGOWNOFSA-N 2 2 353.511 0.333 20 30 FCEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000949416732 674404121 /nfs/dbraw/zinc/40/41/21/674404121.db2.gz CLACNUSVMDGPEP-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303793102 674571404 /nfs/dbraw/zinc/57/14/04/674571404.db2.gz ZAMRFKLYCJGOEX-HOTGVXAUSA-N 2 2 355.527 0.371 20 30 FCEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501911 664418751 /nfs/dbraw/zinc/41/87/51/664418751.db2.gz JIZWHYGAEZDHAN-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501911 664418754 /nfs/dbraw/zinc/41/87/54/664418754.db2.gz JIZWHYGAEZDHAN-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001019176557 675422505 /nfs/dbraw/zinc/42/25/05/675422505.db2.gz AOHCXCVQYVKSFZ-XHSDSOJGSA-N 2 2 357.882 0.809 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274658 1168887802 /nfs/dbraw/zinc/88/78/02/1168887802.db2.gz UJEKENNQYVKAQP-OWCLPIDISA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274658 1168887806 /nfs/dbraw/zinc/88/78/06/1168887806.db2.gz UJEKENNQYVKAQP-OWCLPIDISA-N 2 2 359.474 0.554 20 30 FCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083234911 1171506848 /nfs/dbraw/zinc/50/68/48/1171506848.db2.gz CAOXABPOKHSKIH-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083234911 1171506852 /nfs/dbraw/zinc/50/68/52/1171506852.db2.gz CAOXABPOKHSKIH-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)n1cc[nH+]c1 ZINC001104738180 1182410953 /nfs/dbraw/zinc/41/09/53/1182410953.db2.gz JRMXKKSBMVACOM-OWCLPIDISA-N 2 2 360.462 0.548 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000981544865 1186432427 /nfs/dbraw/zinc/43/24/27/1186432427.db2.gz SMSDCWHKTYPQTO-FUHWJXTLSA-N 2 2 371.485 0.629 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087607325 1189656089 /nfs/dbraw/zinc/65/60/89/1189656089.db2.gz XZWUCZTTYCYPIG-BBWFWOEESA-N 2 2 361.490 0.078 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087607325 1189656092 /nfs/dbraw/zinc/65/60/92/1189656092.db2.gz XZWUCZTTYCYPIG-BBWFWOEESA-N 2 2 361.490 0.078 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087607325 1189656098 /nfs/dbraw/zinc/65/60/98/1189656098.db2.gz XZWUCZTTYCYPIG-BBWFWOEESA-N 2 2 361.490 0.078 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087607325 1189656105 /nfs/dbraw/zinc/65/61/05/1189656105.db2.gz XZWUCZTTYCYPIG-BBWFWOEESA-N 2 2 361.490 0.078 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CC ZINC000985049155 1190478216 /nfs/dbraw/zinc/47/82/16/1190478216.db2.gz VLQRIZZLSZYJIG-XWTMOSNGSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1CC ZINC000985049155 1190478223 /nfs/dbraw/zinc/47/82/23/1190478223.db2.gz VLQRIZZLSZYJIG-XWTMOSNGSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H]1CC ZINC000985049155 1190478232 /nfs/dbraw/zinc/47/82/32/1190478232.db2.gz VLQRIZZLSZYJIG-XWTMOSNGSA-N 2 2 360.502 0.674 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472856 1193905184 /nfs/dbraw/zinc/90/51/84/1193905184.db2.gz UHEKBQZDPKYDPE-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472856 1193905186 /nfs/dbraw/zinc/90/51/86/1193905186.db2.gz UHEKBQZDPKYDPE-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472856 1193905189 /nfs/dbraw/zinc/90/51/89/1193905189.db2.gz UHEKBQZDPKYDPE-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472856 1193905193 /nfs/dbraw/zinc/90/51/93/1193905193.db2.gz UHEKBQZDPKYDPE-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076107206 1194309295 /nfs/dbraw/zinc/30/92/95/1194309295.db2.gz MCPOHKJJYHGAKZ-YESZJQIVSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076107206 1194309299 /nfs/dbraw/zinc/30/92/99/1194309299.db2.gz MCPOHKJJYHGAKZ-YESZJQIVSA-N 2 2 357.458 0.593 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218880456 1224246627 /nfs/dbraw/zinc/24/66/27/1224246627.db2.gz GCOXNUCHWQDBKY-RBUKOAKNSA-N 2 2 363.502 0.668 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218880456 1224246633 /nfs/dbraw/zinc/24/66/33/1224246633.db2.gz GCOXNUCHWQDBKY-RBUKOAKNSA-N 2 2 363.502 0.668 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007634 1195142392 /nfs/dbraw/zinc/14/23/92/1195142392.db2.gz WCRDZFARJBQHPN-XUVXKRRUSA-N 2 2 371.456 0.680 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007634 1195142397 /nfs/dbraw/zinc/14/23/97/1195142397.db2.gz WCRDZFARJBQHPN-XUVXKRRUSA-N 2 2 371.456 0.680 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037409 1224309562 /nfs/dbraw/zinc/30/95/62/1224309562.db2.gz JATKXPLIRSGRAU-RBUKOAKNSA-N 2 2 363.502 0.814 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037409 1224309572 /nfs/dbraw/zinc/30/95/72/1224309572.db2.gz JATKXPLIRSGRAU-RBUKOAKNSA-N 2 2 363.502 0.814 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106313353 1197862609 /nfs/dbraw/zinc/86/26/09/1197862609.db2.gz XRFXVDKRPPVXCK-GDBMZVCRSA-N 2 2 360.458 0.619 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464375 1197945040 /nfs/dbraw/zinc/94/50/40/1197945040.db2.gz WFCNQLAIOHKMAU-BZUAXINKSA-N 2 2 359.474 0.175 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464208 1197945239 /nfs/dbraw/zinc/94/52/39/1197945239.db2.gz LWKXAOFNSRUBSI-BZUAXINKSA-N 2 2 361.490 0.728 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555426 1200387316 /nfs/dbraw/zinc/38/73/16/1200387316.db2.gz PYTSKRJFPYAWTM-VUHPKUFZSA-N 2 2 358.486 0.332 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555426 1200387324 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ZINC001109846616 1200559421 /nfs/dbraw/zinc/55/94/21/1200559421.db2.gz RYRKXOHIEJNFOT-BGTYHANMSA-N 2 2 371.485 0.831 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846616 1200559427 /nfs/dbraw/zinc/55/94/27/1200559427.db2.gz RYRKXOHIEJNFOT-BGTYHANMSA-N 2 2 371.485 0.831 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570473 1200802981 /nfs/dbraw/zinc/80/29/81/1200802981.db2.gz ZALZTQSTVOMFJN-FTRWYGJKSA-N 2 2 371.485 0.617 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001129936665 1201436121 /nfs/dbraw/zinc/43/61/21/1201436121.db2.gz JHMCRKXMIFGFQY-AEFFLSMTSA-N 2 2 367.457 0.418 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903245 1224675628 /nfs/dbraw/zinc/67/56/28/1224675628.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903245 1224675632 /nfs/dbraw/zinc/67/56/32/1224675632.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219903245 1224675634 /nfs/dbraw/zinc/67/56/34/1224675634.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219903245 1224675635 /nfs/dbraw/zinc/67/56/35/1224675635.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 2 2 368.522 0.303 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC001130220511 1201544033 /nfs/dbraw/zinc/54/40/33/1201544033.db2.gz AVSFGWOBQBKSMH-GJZGRUSLSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC001130220511 1201544036 /nfs/dbraw/zinc/54/40/36/1201544036.db2.gz AVSFGWOBQBKSMH-GJZGRUSLSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130216468 1201548050 /nfs/dbraw/zinc/54/80/50/1201548050.db2.gz YBBMNYJULODITC-DZKIICNBSA-N 2 2 362.478 0.102 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130816044 1202806537 /nfs/dbraw/zinc/80/65/37/1202806537.db2.gz KPUYZGVIVUZGFJ-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130816044 1202806541 /nfs/dbraw/zinc/80/65/41/1202806541.db2.gz KPUYZGVIVUZGFJ-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3C)n2)O1 ZINC001130817225 1202808080 /nfs/dbraw/zinc/80/80/80/1202808080.db2.gz HBYJGOIDMCNMDQ-UONOGXRCSA-N 2 2 359.434 0.622 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995951 1204886751 /nfs/dbraw/zinc/88/67/51/1204886751.db2.gz FSSTUBLWKKXXDS-HLLBOEOZSA-N 2 2 352.442 0.781 20 30 FCEDLP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783037 1206247043 /nfs/dbraw/zinc/24/70/43/1206247043.db2.gz JZDHYVICEXGAPO-DJIMGWMZSA-N 2 2 371.485 0.891 20 30 FCEDLP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357315 1206304025 /nfs/dbraw/zinc/30/40/25/1206304025.db2.gz GSBJWJQSVAIZJX-RRFJBIMHSA-N 2 2 360.462 0.428 20 30 FCEDLP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179631016 1206383944 /nfs/dbraw/zinc/38/39/44/1206383944.db2.gz ZCDYDBXQWUPAEH-HZPDHXFCSA-N 2 2 359.474 0.539 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185750554 1206485767 /nfs/dbraw/zinc/48/57/67/1206485767.db2.gz ZSLDBRUANZHTMO-BRWVUGGUSA-N 2 2 371.485 0.915 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205251 1207434091 /nfs/dbraw/zinc/43/40/91/1207434091.db2.gz IDDDQQQXEBCAHZ-HRCADAONSA-N 2 2 357.458 0.595 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205251 1207434093 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/nfs/dbraw/zinc/90/06/29/1211900629.db2.gz RYRKXOHIEJNFOT-HPBDAGMYSA-N 2 2 371.485 0.831 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150704 1211900630 /nfs/dbraw/zinc/90/06/30/1211900630.db2.gz RYRKXOHIEJNFOT-HPBDAGMYSA-N 2 2 371.485 0.831 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)C1=O ZINC001095768328 1211981577 /nfs/dbraw/zinc/98/15/77/1211981577.db2.gz DVRGRGQXVRTJTK-LTIDMASMSA-N 2 2 357.458 0.700 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000948768012 1212233832 /nfs/dbraw/zinc/23/38/32/1212233832.db2.gz SJFGIGANCCJMIS-NVXWUHKLSA-N 2 2 371.485 0.651 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615381 1225399105 /nfs/dbraw/zinc/39/91/05/1225399105.db2.gz GCWZSODJQQSVMA-BRWVUGGUSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615381 1225399110 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/nfs/dbraw/zinc/84/95/29/1216849529.db2.gz GBUZFBAIGZIQMT-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930375 1216849530 /nfs/dbraw/zinc/84/95/30/1216849530.db2.gz GBUZFBAIGZIQMT-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963550 1216870108 /nfs/dbraw/zinc/87/01/08/1216870108.db2.gz KYUIVRBOUJAVOJ-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963550 1216870110 /nfs/dbraw/zinc/87/01/10/1216870110.db2.gz KYUIVRBOUJAVOJ-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976645 1216880450 /nfs/dbraw/zinc/88/04/50/1216880450.db2.gz YCXNFTDTGMQLMX-SJORKVTESA-N 2 2 364.413 0.700 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976645 1216880455 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1216905206 /nfs/dbraw/zinc/90/52/06/1216905206.db2.gz NHRYFPLYLXXQAY-ANQUJSFKSA-N 2 2 353.430 0.180 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027004 1216905211 /nfs/dbraw/zinc/90/52/11/1216905211.db2.gz NHRYFPLYLXXQAY-ANQUJSFKSA-N 2 2 353.430 0.180 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC001096307671 1218232595 /nfs/dbraw/zinc/23/25/95/1218232595.db2.gz HQDKIIOVOQWBAS-NVXWUHKLSA-N 2 2 356.474 0.532 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC001096307671 1218232602 /nfs/dbraw/zinc/23/26/02/1218232602.db2.gz HQDKIIOVOQWBAS-NVXWUHKLSA-N 2 2 356.474 0.532 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C ZINC001096307802 1218233750 /nfs/dbraw/zinc/23/37/50/1218233750.db2.gz LQXWUQVKMYZZGV-JKSUJKDBSA-N 2 2 371.489 0.317 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001096307802 1218233753 /nfs/dbraw/zinc/23/37/53/1218233753.db2.gz LQXWUQVKMYZZGV-JKSUJKDBSA-N 2 2 371.489 0.317 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070102589 1219177404 /nfs/dbraw/zinc/17/74/04/1219177404.db2.gz RXHDTFKAVTYPJR-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070102589 1219177407 /nfs/dbraw/zinc/17/74/07/1219177407.db2.gz RXHDTFKAVTYPJR-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227681182 1225882156 /nfs/dbraw/zinc/88/21/56/1225882156.db2.gz RHVRWKZRSQUYHL-ARFHVFGLSA-N 2 2 359.474 0.508 20 30 FCEDLP CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445715 1219411861 /nfs/dbraw/zinc/41/18/61/1219411861.db2.gz IVCHECFHJOWMCX-DJIMGWMZSA-N 2 2 370.501 0.704 20 30 FCEDLP CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445715 1219411862 /nfs/dbraw/zinc/41/18/62/1219411862.db2.gz IVCHECFHJOWMCX-DJIMGWMZSA-N 2 2 370.501 0.704 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1c1cncn1C ZINC001070669553 1219517128 /nfs/dbraw/zinc/51/71/28/1219517128.db2.gz YPLYNSORQNNQMN-NVXWUHKLSA-N 2 2 366.469 0.713 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070914995 1219569092 /nfs/dbraw/zinc/56/90/92/1219569092.db2.gz LOUBAQKQVFPXHP-XHSDSOJGSA-N 2 2 359.430 0.483 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070914995 1219569094 /nfs/dbraw/zinc/56/90/94/1219569094.db2.gz LOUBAQKQVFPXHP-XHSDSOJGSA-N 2 2 359.430 0.483 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001098407739 1219774871 /nfs/dbraw/zinc/77/48/71/1219774871.db2.gz PSMFOWLBWJLUTC-NCOADZHNSA-N 2 2 357.458 0.700 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001098407739 1219774877 /nfs/dbraw/zinc/77/48/77/1219774877.db2.gz PSMFOWLBWJLUTC-NCOADZHNSA-N 2 2 357.458 0.700 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308327 1220280450 /nfs/dbraw/zinc/28/04/50/1220280450.db2.gz GOZNECJCIYTGRP-YRNRMSPPSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308327 1220280453 /nfs/dbraw/zinc/28/04/53/1220280453.db2.gz GOZNECJCIYTGRP-YRNRMSPPSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102351252 1220589565 /nfs/dbraw/zinc/58/95/65/1220589565.db2.gz VWVTUQGWAZUZDJ-RBSFLKMASA-N 2 2 357.458 0.263 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102351252 1220589572 /nfs/dbraw/zinc/58/95/72/1220589572.db2.gz VWVTUQGWAZUZDJ-RBSFLKMASA-N 2 2 357.458 0.263 20 30 FCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001103257210 1220857755 /nfs/dbraw/zinc/85/77/55/1220857755.db2.gz LTPCVGUKRVJBCE-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001103257210 1220857758 /nfs/dbraw/zinc/85/77/58/1220857758.db2.gz LTPCVGUKRVJBCE-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687934 1220939670 /nfs/dbraw/zinc/93/96/70/1220939670.db2.gz ARKYSMXAYFULKK-HZPDHXFCSA-N 2 2 361.490 0.729 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687934 1220939673 /nfs/dbraw/zinc/93/96/73/1220939673.db2.gz ARKYSMXAYFULKK-HZPDHXFCSA-N 2 2 361.490 0.729 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112388018 1221251040 /nfs/dbraw/zinc/25/10/40/1221251040.db2.gz ICGQKBACLNKNKL-FTRWYGJKSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112388018 1221251041 /nfs/dbraw/zinc/25/10/41/1221251041.db2.gz ICGQKBACLNKNKL-FTRWYGJKSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000834376896 1222571197 /nfs/dbraw/zinc/57/11/97/1222571197.db2.gz XIZMEKAZBBARBY-XSLAGTTESA-N 2 2 358.486 0.191 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000834376896 1222571199 /nfs/dbraw/zinc/57/11/99/1222571199.db2.gz XIZMEKAZBBARBY-XSLAGTTESA-N 2 2 358.486 0.191 20 30 FCEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001157999490 1223086423 /nfs/dbraw/zinc/08/64/23/1223086423.db2.gz RWMMQHBEAQNFDZ-IKGGRYGDSA-N 2 2 356.426 0.225 20 30 FCEDLP N#Cc1nccnc1N1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160635867 1223167345 /nfs/dbraw/zinc/16/73/45/1223167345.db2.gz FASAMISLTBPOEZ-OAHLLOKOSA-N 2 2 351.414 0.269 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252730 1223191778 /nfs/dbraw/zinc/19/17/78/1223191778.db2.gz DIFWIHZTPRGJPP-IAGOWNOFSA-N 2 2 371.485 0.964 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252730 1223191781 /nfs/dbraw/zinc/19/17/81/1223191781.db2.gz DIFWIHZTPRGJPP-IAGOWNOFSA-N 2 2 371.485 0.964 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703085 1223472049 /nfs/dbraw/zinc/47/20/49/1223472049.db2.gz KNDXPJAUDBXVAR-PBFPGSCMSA-N 2 2 353.426 0.751 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703085 1223472052 /nfs/dbraw/zinc/47/20/52/1223472052.db2.gz KNDXPJAUDBXVAR-PBFPGSCMSA-N 2 2 353.426 0.751 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007921 1223505267 /nfs/dbraw/zinc/50/52/67/1223505267.db2.gz NFHSLEKPXZGAQV-HLLBOEOZSA-N 2 2 371.485 0.336 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007921 1223505270 /nfs/dbraw/zinc/50/52/70/1223505270.db2.gz NFHSLEKPXZGAQV-HLLBOEOZSA-N 2 2 371.485 0.336 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213754187 1223844347 /nfs/dbraw/zinc/84/43/47/1223844347.db2.gz VRHHGZYGHMCOKD-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213754187 1223844349 /nfs/dbraw/zinc/84/43/49/1223844349.db2.gz VRHHGZYGHMCOKD-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215385418 1223995518 /nfs/dbraw/zinc/99/55/18/1223995518.db2.gz QVNPHCXIVRGKFY-BHIYHBOVSA-N 2 2 363.502 0.716 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215385418 1223995520 /nfs/dbraw/zinc/99/55/20/1223995520.db2.gz QVNPHCXIVRGKFY-BHIYHBOVSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216362709 1224046308 /nfs/dbraw/zinc/04/63/08/1224046308.db2.gz ZRLRHGWOTYJISY-RHSMWYFYSA-N 2 2 366.425 0.067 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC000998472115 1251892072 /nfs/dbraw/zinc/89/20/72/1251892072.db2.gz KDGJEHNNNKXSBF-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC000998472115 1251892075 /nfs/dbraw/zinc/89/20/75/1251892075.db2.gz KDGJEHNNNKXSBF-OWSLCNJRSA-N 2 2 369.469 0.537 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001003137629 1252789598 /nfs/dbraw/zinc/78/95/98/1252789598.db2.gz KNBNDIPXICKOBF-DJIMGWMZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001003137629 1252789601 /nfs/dbraw/zinc/78/96/01/1252789601.db2.gz KNBNDIPXICKOBF-DJIMGWMZSA-N 2 2 364.490 0.073 20 30 FCEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328183 1256669524 /nfs/dbraw/zinc/66/95/24/1256669524.db2.gz HPSZJEYDDDXJSN-RTBURBONSA-N 2 2 353.466 0.949 20 30 FCEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328183 1256669531 /nfs/dbraw/zinc/66/95/31/1256669531.db2.gz HPSZJEYDDDXJSN-RTBURBONSA-N 2 2 353.466 0.949 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369036 1256717203 /nfs/dbraw/zinc/71/72/03/1256717203.db2.gz WIJUNFKWDOIYLV-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369036 1256717206 /nfs/dbraw/zinc/71/72/06/1256717206.db2.gz WIJUNFKWDOIYLV-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369036 1256717209 /nfs/dbraw/zinc/71/72/09/1256717209.db2.gz WIJUNFKWDOIYLV-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369036 1256717212 /nfs/dbraw/zinc/71/72/12/1256717212.db2.gz WIJUNFKWDOIYLV-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC001082941339 1257159614 /nfs/dbraw/zinc/15/96/14/1257159614.db2.gz HYDADYDFNLUYGC-JKIFEVAISA-N 2 2 358.490 0.956 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083833497 1257587503 /nfs/dbraw/zinc/58/75/03/1257587503.db2.gz FDGLKCQQIRCIRT-UXHICEINSA-N 2 2 355.482 0.931 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083833497 1257587507 /nfs/dbraw/zinc/58/75/07/1257587507.db2.gz FDGLKCQQIRCIRT-UXHICEINSA-N 2 2 355.482 0.931 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@@H]2O)CC1 ZINC001084090020 1257914207 /nfs/dbraw/zinc/91/42/07/1257914207.db2.gz GKOWZGPIUJHZFQ-IPELMVKDSA-N 2 2 371.485 0.353 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@@H]2O)CC1 ZINC001084090020 1257914212 /nfs/dbraw/zinc/91/42/12/1257914212.db2.gz GKOWZGPIUJHZFQ-IPELMVKDSA-N 2 2 371.485 0.353 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)C1=O ZINC001085075334 1258569134 /nfs/dbraw/zinc/56/91/34/1258569134.db2.gz BALVUFMOQVOFEH-SZMVWBNQSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)C1=O ZINC001085075334 1258569142 /nfs/dbraw/zinc/56/91/42/1258569142.db2.gz BALVUFMOQVOFEH-SZMVWBNQSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183535 1258705127 /nfs/dbraw/zinc/70/51/27/1258705127.db2.gz KSSBBMWRXPDEEN-SOLBZPMBSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183535 1258705134 /nfs/dbraw/zinc/70/51/34/1258705134.db2.gz KSSBBMWRXPDEEN-SOLBZPMBSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440424 1258918959 /nfs/dbraw/zinc/91/89/59/1258918959.db2.gz FUJOKCBVUMFZPG-HZPDHXFCSA-N 2 2 361.490 0.729 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543012 1259164983 /nfs/dbraw/zinc/16/49/83/1259164983.db2.gz DZWMRJNVWWMDPW-FTRWYGJKSA-N 2 2 371.485 0.556 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543012 1259164988 /nfs/dbraw/zinc/16/49/88/1259164988.db2.gz DZWMRJNVWWMDPW-FTRWYGJKSA-N 2 2 371.485 0.556 20 30 FCEDLP CC[NH+]1CCN([C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001335350981 1259620976 /nfs/dbraw/zinc/62/09/76/1259620976.db2.gz KBXIBKOCBVRQHH-MRXNPFEDSA-N 2 2 364.515 0.948 20 30 FCEDLP C=CCOC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717253 1259668458 /nfs/dbraw/zinc/66/84/58/1259668458.db2.gz WBNKXLKSSHGVHT-IRXDYDNUSA-N 2 2 372.517 0.884 20 30 FCEDLP C=CCOC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717253 1259668466 /nfs/dbraw/zinc/66/84/66/1259668466.db2.gz WBNKXLKSSHGVHT-IRXDYDNUSA-N 2 2 372.517 0.884 20 30 FCEDLP Cn1cc(CN2CCO[C@H]3C[N@H+](Cc4c[nH+]ccc4N)C[C@H]32)cc1C#N ZINC001279617122 1260900243 /nfs/dbraw/zinc/90/02/43/1260900243.db2.gz QEYAVKNPYKAXIP-MOPGFXCFSA-N 2 2 352.442 0.790 20 30 FCEDLP Cn1cc(CN2CCO[C@H]3C[N@@H+](Cc4c[nH+]ccc4N)C[C@H]32)cc1C#N ZINC001279617122 1260900247 /nfs/dbraw/zinc/90/02/47/1260900247.db2.gz QEYAVKNPYKAXIP-MOPGFXCFSA-N 2 2 352.442 0.790 20 30 FCEDLP C[NH+]1CCC([N@@H+]2C[C@@H]3OCCN(C(=O)C4(C#N)CCOCC4)[C@H]3C2)CC1 ZINC001280069857 1260989850 /nfs/dbraw/zinc/98/98/50/1260989850.db2.gz BMDIRQPERYTSST-IRXDYDNUSA-N 2 2 362.474 0.313 20 30 FCEDLP C[NH+]1CCC([N@H+]2C[C@@H]3OCCN(C(=O)C4(C#N)CCOCC4)[C@H]3C2)CC1 ZINC001280069857 1260989857 /nfs/dbraw/zinc/98/98/57/1260989857.db2.gz BMDIRQPERYTSST-IRXDYDNUSA-N 2 2 362.474 0.313 20 30 FCEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324239971 1264601730 /nfs/dbraw/zinc/60/17/30/1264601730.db2.gz OLPSTLVRRBTOGI-INIZCTEOSA-N 2 2 370.457 0.519 20 30 FCEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324239971 1264601736 /nfs/dbraw/zinc/60/17/36/1264601736.db2.gz OLPSTLVRRBTOGI-INIZCTEOSA-N 2 2 370.457 0.519 20 30 FCEDLP C#CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326531362 1265126803 /nfs/dbraw/zinc/12/68/03/1265126803.db2.gz LAGOCQJIRPSMMX-GOSISDBHSA-N 2 2 360.502 0.485 20 30 FCEDLP C#CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326531362 1265126806 /nfs/dbraw/zinc/12/68/06/1265126806.db2.gz LAGOCQJIRPSMMX-GOSISDBHSA-N 2 2 360.502 0.485 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001574707598 1271497879 /nfs/dbraw/zinc/49/78/79/1271497879.db2.gz WVJZSYNOYBZSGW-ZJPYXAASSA-N 2 2 372.517 0.789 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH3+])COC2)CC1 ZINC001574707416 1271498001 /nfs/dbraw/zinc/49/80/01/1271498001.db2.gz RRSCBBQXPBQWOJ-HNNXBMFYSA-N 2 2 360.462 0.003 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CC(=O)NCCC)CC1 ZINC001574707715 1271498271 /nfs/dbraw/zinc/49/82/71/1271498271.db2.gz XMFHCOIQVAYYHT-MRXNPFEDSA-N 2 2 373.505 0.027 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001574967148 1271685649 /nfs/dbraw/zinc/68/56/49/1271685649.db2.gz MYSCCWSWTSBFHU-WBVHZDCISA-N 2 2 358.490 0.724 20 30 FCEDLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001575160004 1271756243 /nfs/dbraw/zinc/75/62/43/1271756243.db2.gz BWTCBEZRLQGXLR-JSGCOSHPSA-N 2 2 351.451 0.203 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351105 1282445905 /nfs/dbraw/zinc/44/59/05/1282445905.db2.gz DZONKPRVFZMTTH-BBRMVZONSA-N 2 2 368.445 0.088 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351105 1282445911 /nfs/dbraw/zinc/44/59/11/1282445911.db2.gz DZONKPRVFZMTTH-BBRMVZONSA-N 2 2 368.445 0.088 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692321937 1289446825 /nfs/dbraw/zinc/44/68/25/1289446825.db2.gz IAZDUDAQUNQLGJ-RBSFLKMASA-N 2 2 358.446 0.514 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692321937 1289446828 /nfs/dbraw/zinc/44/68/28/1289446828.db2.gz IAZDUDAQUNQLGJ-RBSFLKMASA-N 2 2 358.446 0.514 20 30 FCEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001698968398 1289539310 /nfs/dbraw/zinc/53/93/10/1289539310.db2.gz WBPUHPUAEPMOKE-KURKYZTESA-N 2 2 351.491 0.620 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689234958 1294695467 /nfs/dbraw/zinc/69/54/67/1294695467.db2.gz UPBNORARWPLOOL-CABCVRRESA-N 2 2 359.474 0.770 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689234958 1294695474 /nfs/dbraw/zinc/69/54/74/1294695474.db2.gz UPBNORARWPLOOL-CABCVRRESA-N 2 2 359.474 0.770 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001070211347 837634819 /nfs/dbraw/zinc/63/48/19/837634819.db2.gz AWJWBOLWXNRNKW-PMPSAXMXSA-N 2 2 362.865 0.470 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001070211347 837634821 /nfs/dbraw/zinc/63/48/21/837634821.db2.gz AWJWBOLWXNRNKW-PMPSAXMXSA-N 2 2 362.865 0.470 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](F)CC)C[C@@H]32)CC1 ZINC001083283724 840867245 /nfs/dbraw/zinc/86/72/45/840867245.db2.gz PRSZEKZPKZHFLH-OKZBNKHCSA-N 2 2 351.466 0.991 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](F)CC)C[C@@H]32)CC1 ZINC001083283724 840867250 /nfs/dbraw/zinc/86/72/50/840867250.db2.gz PRSZEKZPKZHFLH-OKZBNKHCSA-N 2 2 351.466 0.991 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O ZINC001083535778 841139064 /nfs/dbraw/zinc/13/90/64/841139064.db2.gz LKYVFZDUCHDEJO-PMPSAXMXSA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@@H]1O ZINC001083535778 841139070 /nfs/dbraw/zinc/13/90/70/841139070.db2.gz LKYVFZDUCHDEJO-PMPSAXMXSA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001083535778 841139076 /nfs/dbraw/zinc/13/90/76/841139076.db2.gz LKYVFZDUCHDEJO-PMPSAXMXSA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001083535778 841139083 /nfs/dbraw/zinc/13/90/83/841139083.db2.gz LKYVFZDUCHDEJO-PMPSAXMXSA-N 2 2 362.499 0.253 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737492 842113575 /nfs/dbraw/zinc/11/35/75/842113575.db2.gz PARCDYWOUBTSMF-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737492 842113578 /nfs/dbraw/zinc/11/35/78/842113578.db2.gz PARCDYWOUBTSMF-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109362708 845630990 /nfs/dbraw/zinc/63/09/90/845630990.db2.gz BHXBCVQSVCNSAF-UGUYLWEFSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109362708 845630997 /nfs/dbraw/zinc/63/09/97/845630997.db2.gz BHXBCVQSVCNSAF-UGUYLWEFSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001215199199 855080573 /nfs/dbraw/zinc/08/05/73/855080573.db2.gz XKYUAFMNYGXQNC-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP CCn1nnc2c1[C@H](C(=O)Nc1sc3c(c1C#N)CC[NH2+]C3)C[NH2+]C2 ZINC001218551236 855438923 /nfs/dbraw/zinc/43/89/23/855438923.db2.gz KIAICDIISCHXIQ-LLVKDONJSA-N 2 2 357.443 0.702 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665208 855759972 /nfs/dbraw/zinc/75/99/72/855759972.db2.gz AKEHBTZXHOTNPZ-XHSDSOJGSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665208 855759974 /nfs/dbraw/zinc/75/99/74/855759974.db2.gz AKEHBTZXHOTNPZ-XHSDSOJGSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001247613367 857615010 /nfs/dbraw/zinc/61/50/10/857615010.db2.gz MZAATQLOKHUCCA-UHFFFAOYSA-N 2 2 367.563 0.607 20 30 FCEDLP C=CCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001247613367 857615023 /nfs/dbraw/zinc/61/50/23/857615023.db2.gz MZAATQLOKHUCCA-UHFFFAOYSA-N 2 2 367.563 0.607 20 30 FCEDLP C#CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323045914 869039671 /nfs/dbraw/zinc/03/96/71/869039671.db2.gz XIJYZQDDTQXWIU-MRXNPFEDSA-N 2 2 366.531 0.096 20 30 FCEDLP C#CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323045914 869039677 /nfs/dbraw/zinc/03/96/77/869039677.db2.gz XIJYZQDDTQXWIU-MRXNPFEDSA-N 2 2 366.531 0.096 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489160 873980911 /nfs/dbraw/zinc/98/09/11/873980911.db2.gz UYACJAZQMMEODG-HOTGVXAUSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489160 873980917 /nfs/dbraw/zinc/98/09/17/873980917.db2.gz UYACJAZQMMEODG-HOTGVXAUSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489160 873980930 /nfs/dbraw/zinc/98/09/30/873980930.db2.gz UYACJAZQMMEODG-HOTGVXAUSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489160 873980947 /nfs/dbraw/zinc/98/09/47/873980947.db2.gz UYACJAZQMMEODG-HOTGVXAUSA-N 2 2 350.463 0.363 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250538 214088480 /nfs/dbraw/zinc/08/84/80/214088480.db2.gz QUUMWRVIJGHDRA-RDJZCZTQSA-N 2 2 357.458 0.959 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250538 214088483 /nfs/dbraw/zinc/08/84/83/214088483.db2.gz QUUMWRVIJGHDRA-RDJZCZTQSA-N 2 2 357.458 0.959 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250529 214088833 /nfs/dbraw/zinc/08/88/33/214088833.db2.gz QUUMWRVIJGHDRA-DOTOQJQBSA-N 2 2 357.458 0.959 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250529 214088837 /nfs/dbraw/zinc/08/88/37/214088837.db2.gz QUUMWRVIJGHDRA-DOTOQJQBSA-N 2 2 357.458 0.959 20 30 FCEDLP CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331581732 215019112 /nfs/dbraw/zinc/01/91/12/215019112.db2.gz FTGAMWPILMFZAS-UHFFFAOYSA-N 2 2 372.473 0.197 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)cc1 ZINC000419863336 246331885 /nfs/dbraw/zinc/33/18/85/246331885.db2.gz DTLUBXQELLWJTP-UHFFFAOYSA-N 2 2 369.469 0.589 20 30 FCEDLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423613286 247077105 /nfs/dbraw/zinc/07/71/05/247077105.db2.gz VGSXIALUAYXWLU-HNNXBMFYSA-N 2 2 355.442 0.023 20 30 FCEDLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423613287 247077455 /nfs/dbraw/zinc/07/74/55/247077455.db2.gz VGSXIALUAYXWLU-OAHLLOKOSA-N 2 2 355.442 0.023 20 30 FCEDLP CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261950158 229292647 /nfs/dbraw/zinc/29/26/47/229292647.db2.gz HCTNBRQSPQJASG-KGLIPLIRSA-N 2 2 356.496 0.281 20 30 FCEDLP CN1C(=O)N[C@@H]2CN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)CC[C@@H]21 ZINC000329059199 488964623 /nfs/dbraw/zinc/96/46/23/488964623.db2.gz MZZVFRFEOUYIEK-CABCVRRESA-N 2 2 352.483 0.229 20 30 FCEDLP CC(C)[NH+]1CCN(CCC[N@H+](CCC#N)CCN2CCOCC2)CC1 ZINC000191525833 488419996 /nfs/dbraw/zinc/41/99/96/488419996.db2.gz RSWLSRLUNJUCNQ-UHFFFAOYSA-N 2 2 351.539 0.950 20 30 FCEDLP CC[NH+]1CCC(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000078719914 488424771 /nfs/dbraw/zinc/42/47/71/488424771.db2.gz OVGUVJIRQVFAOB-UHFFFAOYSA-N 2 2 351.495 0.135 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000091632016 488466181 /nfs/dbraw/zinc/46/61/81/488466181.db2.gz HCEGDIFSQORSLR-QGZVFWFLSA-N 2 2 373.505 0.234 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000249700262 488514112 /nfs/dbraw/zinc/51/41/12/488514112.db2.gz XLVYGJUQXTZVDX-INIZCTEOSA-N 2 2 356.474 0.628 20 30 FCEDLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563145216 491220771 /nfs/dbraw/zinc/22/07/71/491220771.db2.gz VXMZZJXBSNRLLU-CABCVRRESA-N 2 2 357.458 0.444 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000171718980 488826591 /nfs/dbraw/zinc/82/65/91/488826591.db2.gz QNMSMQBGBWBOFV-UHFFFAOYSA-N 2 2 373.505 0.548 20 30 FCEDLP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330271975 489086518 /nfs/dbraw/zinc/08/65/18/489086518.db2.gz WWTMWTOIQCSIST-CVEARBPZSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330271975 489086521 /nfs/dbraw/zinc/08/65/21/489086521.db2.gz WWTMWTOIQCSIST-CVEARBPZSA-N 2 2 354.495 0.806 20 30 FCEDLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330336875 489092332 /nfs/dbraw/zinc/09/23/32/489092332.db2.gz ZRMYBXROVMCHTC-HOCLYGCPSA-N 2 2 350.463 0.503 20 30 FCEDLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330336875 489092334 /nfs/dbraw/zinc/09/23/34/489092334.db2.gz ZRMYBXROVMCHTC-HOCLYGCPSA-N 2 2 350.463 0.503 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330676928 489131643 /nfs/dbraw/zinc/13/16/43/489131643.db2.gz IWUDTCTXYWRAGA-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330676928 489131645 /nfs/dbraw/zinc/13/16/45/489131645.db2.gz IWUDTCTXYWRAGA-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374999603 489709498 /nfs/dbraw/zinc/70/94/98/489709498.db2.gz RJGUSZIFRBFSEL-QGZVFWFLSA-N 2 2 352.479 0.200 20 30 FCEDLP N#CC1(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000375806473 489726850 /nfs/dbraw/zinc/72/68/50/489726850.db2.gz ARSJEIILYKCBRM-UHFFFAOYSA-N 2 2 364.490 0.488 20 30 FCEDLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521986725 490320573 /nfs/dbraw/zinc/32/05/73/490320573.db2.gz QHWTWNYHOIIWRG-SFHVURJKSA-N 2 2 356.474 0.289 20 30 FCEDLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499049206 490383448 /nfs/dbraw/zinc/38/34/48/490383448.db2.gz XFPYIASFFCRBCJ-UHFFFAOYSA-N 2 2 373.501 0.905 20 30 FCEDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499049206 490383455 /nfs/dbraw/zinc/38/34/55/490383455.db2.gz XFPYIASFFCRBCJ-UHFFFAOYSA-N 2 2 373.501 0.905 20 30 FCEDLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423017177 490521574 /nfs/dbraw/zinc/52/15/74/490521574.db2.gz VSDCDBFSTDQOGW-UHFFFAOYSA-N 2 2 371.485 0.646 20 30 FCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528370099 490791408 /nfs/dbraw/zinc/79/14/08/490791408.db2.gz CDGWNYCNBSOSLT-GOSISDBHSA-N 2 2 374.485 0.784 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000573436820 491432851 /nfs/dbraw/zinc/43/28/51/491432851.db2.gz JSUYLMSFLMRGER-GOSISDBHSA-N 2 2 369.469 0.400 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000641171306 493174041 /nfs/dbraw/zinc/17/40/41/493174041.db2.gz QDLJIXLGLRFDPC-MRXNPFEDSA-N 2 2 367.457 0.696 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262798748 526360086 /nfs/dbraw/zinc/36/00/86/526360086.db2.gz QJHKTKGHQZAJPX-LSDHHAIUSA-N 2 2 355.552 0.847 20 30 FCEDLP C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179226780 526362549 /nfs/dbraw/zinc/36/25/49/526362549.db2.gz BPGNFPBZJZCUGL-GJZGRUSLSA-N 2 2 370.523 0.669 20 30 FCEDLP C[NH+]=C(NCCc1cc[nH+]cc1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261808798 526365217 /nfs/dbraw/zinc/36/52/17/526365217.db2.gz SGIAPVSBPGOTAE-IBGZPJMESA-N 2 2 372.473 0.818 20 30 FCEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261838021 526365241 /nfs/dbraw/zinc/36/52/41/526365241.db2.gz VYWMDSGGTUXXLM-QGZVFWFLSA-N 3 2 374.533 0.991 20 30 FCEDLP C[NH+]=C(NCCc1cc[nH+]cc1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261808799 526365472 /nfs/dbraw/zinc/36/54/72/526365472.db2.gz SGIAPVSBPGOTAE-LJQANCHMSA-N 2 2 372.473 0.818 20 30 FCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942159 526388119 /nfs/dbraw/zinc/38/81/19/526388119.db2.gz DSVZONADRFETMG-UHFFFAOYSA-N 2 2 353.492 0.804 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266902694 527026672 /nfs/dbraw/zinc/02/66/72/527026672.db2.gz GZPNWISCRJRAKU-KRWDZBQOSA-N 2 2 358.486 0.887 20 30 FCEDLP CCNC(NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)=[NH+]CC ZINC000267391239 528007012 /nfs/dbraw/zinc/00/70/12/528007012.db2.gz CYSQVZIQTCYCKZ-UHFFFAOYSA-N 2 2 367.519 0.698 20 30 FCEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329327037 546553504 /nfs/dbraw/zinc/55/35/04/546553504.db2.gz UJBMWPHKOVDDCF-CVEARBPZSA-N 2 2 357.520 0.854 20 30 FCEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395458 674403682 /nfs/dbraw/zinc/40/36/82/674403682.db2.gz USYWEYJOJLOTDI-IAGOWNOFSA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395458 674403681 /nfs/dbraw/zinc/40/36/81/674403681.db2.gz USYWEYJOJLOTDI-IAGOWNOFSA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395458 674403683 /nfs/dbraw/zinc/40/36/83/674403683.db2.gz USYWEYJOJLOTDI-IAGOWNOFSA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395458 674403684 /nfs/dbraw/zinc/40/36/84/674403684.db2.gz USYWEYJOJLOTDI-IAGOWNOFSA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981663665 664834784 /nfs/dbraw/zinc/83/47/84/664834784.db2.gz RKOTTZRANNTSJY-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981663665 664834787 /nfs/dbraw/zinc/83/47/87/664834787.db2.gz RKOTTZRANNTSJY-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033904515 667741753 /nfs/dbraw/zinc/74/17/53/667741753.db2.gz USFVDKNRWXSYEB-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033904515 667741756 /nfs/dbraw/zinc/74/17/56/667741756.db2.gz USFVDKNRWXSYEB-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001087219741 1171968314 /nfs/dbraw/zinc/96/83/14/1171968314.db2.gz MOGYHFRNMCXKQY-PVAVHDDUSA-N 2 2 359.474 0.956 20 30 FCEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104776079 1182914893 /nfs/dbraw/zinc/91/48/93/1182914893.db2.gz WZVMTDWPGUWUAR-RBSFLKMASA-N 2 2 360.462 0.302 20 30 FCEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104776079 1182914898 /nfs/dbraw/zinc/91/48/98/1182914898.db2.gz WZVMTDWPGUWUAR-RBSFLKMASA-N 2 2 360.462 0.302 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439879 1186419727 /nfs/dbraw/zinc/41/97/27/1186419727.db2.gz MKVPYZXQRYHDOA-IXDOHACOSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439879 1186419730 /nfs/dbraw/zinc/41/97/30/1186419730.db2.gz MKVPYZXQRYHDOA-IXDOHACOSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439879 1186419735 /nfs/dbraw/zinc/41/97/35/1186419735.db2.gz MKVPYZXQRYHDOA-IXDOHACOSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439879 1186419736 /nfs/dbraw/zinc/41/97/36/1186419736.db2.gz MKVPYZXQRYHDOA-IXDOHACOSA-N 2 2 364.490 0.027 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001691499334 1186638968 /nfs/dbraw/zinc/63/89/68/1186638968.db2.gz XFKNSGWBFBPFHK-BPQIPLTHSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001691499334 1186638969 /nfs/dbraw/zinc/63/89/69/1186638969.db2.gz XFKNSGWBFBPFHK-BPQIPLTHSA-N 2 2 371.485 0.472 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645215 1187584222 /nfs/dbraw/zinc/58/42/22/1187584222.db2.gz SJODLOJKXBFTCH-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645215 1187584224 /nfs/dbraw/zinc/58/42/24/1187584224.db2.gz SJODLOJKXBFTCH-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645215 1187584225 /nfs/dbraw/zinc/58/42/25/1187584225.db2.gz SJODLOJKXBFTCH-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001075645215 1187584227 /nfs/dbraw/zinc/58/42/27/1187584227.db2.gz SJODLOJKXBFTCH-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087998234 1190174766 /nfs/dbraw/zinc/17/47/66/1190174766.db2.gz YHUHNWQZEPJTON-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087998234 1190174770 /nfs/dbraw/zinc/17/47/70/1190174770.db2.gz YHUHNWQZEPJTON-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087998234 1190174773 /nfs/dbraw/zinc/17/47/73/1190174773.db2.gz YHUHNWQZEPJTON-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087998234 1190174775 /nfs/dbraw/zinc/17/47/75/1190174775.db2.gz YHUHNWQZEPJTON-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccn3)CC[C@@H]2C1 ZINC001087998106 1190174967 /nfs/dbraw/zinc/17/49/67/1190174967.db2.gz REVMMUZDXOCKFX-SQNIBIBYSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccn3)CC[C@@H]2C1 ZINC001087998106 1190174971 /nfs/dbraw/zinc/17/49/71/1190174971.db2.gz REVMMUZDXOCKFX-SQNIBIBYSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccn3)CC[C@@H]2C1 ZINC001087998106 1190174974 /nfs/dbraw/zinc/17/49/74/1190174974.db2.gz REVMMUZDXOCKFX-SQNIBIBYSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccn3)CC[C@@H]2C1 ZINC001087998106 1190174979 /nfs/dbraw/zinc/17/49/79/1190174979.db2.gz REVMMUZDXOCKFX-SQNIBIBYSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049791 1190309719 /nfs/dbraw/zinc/30/97/19/1190309719.db2.gz YGWRPDWQIOPYMY-HCXYKTFWSA-N 2 2 361.486 0.280 20 30 FCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049791 1190309724 /nfs/dbraw/zinc/30/97/24/1190309724.db2.gz YGWRPDWQIOPYMY-HCXYKTFWSA-N 2 2 361.486 0.280 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077015 1194291343 /nfs/dbraw/zinc/29/13/43/1194291343.db2.gz VBGLWVZIASHOTD-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077015 1194291349 /nfs/dbraw/zinc/29/13/49/1194291349.db2.gz VBGLWVZIASHOTD-MANSERQUSA-N 2 2 363.502 0.975 20 30 FCEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001077299840 1195399021 /nfs/dbraw/zinc/39/90/21/1195399021.db2.gz PZDAOLUPMNJPSF-QZTJIDSGSA-N 2 2 354.454 0.848 20 30 FCEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001077299840 1195399024 /nfs/dbraw/zinc/39/90/24/1195399024.db2.gz PZDAOLUPMNJPSF-QZTJIDSGSA-N 2 2 354.454 0.848 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNc3ccc(C#N)cn3)C2)CC1 ZINC000734268604 1197742065 /nfs/dbraw/zinc/74/20/65/1197742065.db2.gz VPVOSTDGRRXBPK-INIZCTEOSA-N 2 2 371.489 0.833 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNc3ccc(C#N)cn3)C2)CC1 ZINC000734268604 1197742081 /nfs/dbraw/zinc/74/20/81/1197742081.db2.gz VPVOSTDGRRXBPK-INIZCTEOSA-N 2 2 371.489 0.833 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106344035 1197872300 /nfs/dbraw/zinc/87/23/00/1197872300.db2.gz QHKNWCLAQGPNOC-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386004 1200110045 /nfs/dbraw/zinc/11/00/45/1200110045.db2.gz VLZRJKRFWNILNC-OIISXLGYSA-N 2 2 357.462 0.951 20 30 FCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386004 1200110051 /nfs/dbraw/zinc/11/00/51/1200110051.db2.gz VLZRJKRFWNILNC-OIISXLGYSA-N 2 2 357.462 0.951 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489171 1200332070 /nfs/dbraw/zinc/33/20/70/1200332070.db2.gz JELQZEHDNMJKPV-PVAVHDDUSA-N 2 2 353.426 0.972 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489171 1200332082 /nfs/dbraw/zinc/33/20/82/1200332082.db2.gz JELQZEHDNMJKPV-PVAVHDDUSA-N 2 2 353.426 0.972 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109635627 1200432530 /nfs/dbraw/zinc/43/25/30/1200432530.db2.gz LJXITYQNJZEQAQ-NCOADZHNSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109635627 1200432533 /nfs/dbraw/zinc/43/25/33/1200432533.db2.gz LJXITYQNJZEQAQ-NCOADZHNSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001109635627 1200432536 /nfs/dbraw/zinc/43/25/36/1200432536.db2.gz LJXITYQNJZEQAQ-NCOADZHNSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001109635627 1200432541 /nfs/dbraw/zinc/43/25/41/1200432541.db2.gz LJXITYQNJZEQAQ-NCOADZHNSA-N 2 2 361.490 0.470 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840203 1200549741 /nfs/dbraw/zinc/54/97/41/1200549741.db2.gz LCEWYQDQEMABPO-IKGGRYGDSA-N 2 2 357.458 0.443 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840203 1200549745 /nfs/dbraw/zinc/54/97/45/1200549745.db2.gz LCEWYQDQEMABPO-IKGGRYGDSA-N 2 2 357.458 0.443 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812193 1224630503 /nfs/dbraw/zinc/63/05/03/1224630503.db2.gz REFGOXCLNIKOKA-SJORKVTESA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812193 1224630506 /nfs/dbraw/zinc/63/05/06/1224630506.db2.gz REFGOXCLNIKOKA-SJORKVTESA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812193 1224630511 /nfs/dbraw/zinc/63/05/11/1224630511.db2.gz REFGOXCLNIKOKA-SJORKVTESA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812193 1224630516 /nfs/dbraw/zinc/63/05/16/1224630516.db2.gz REFGOXCLNIKOKA-SJORKVTESA-N 2 2 366.506 0.057 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001219821293 1224636921 /nfs/dbraw/zinc/63/69/21/1224636921.db2.gz JXUXMXRDEONJTG-AABGKKOBSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001219821293 1224636925 /nfs/dbraw/zinc/63/69/25/1224636925.db2.gz JXUXMXRDEONJTG-AABGKKOBSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccccc2)C[C@@H]1O ZINC001219821293 1224636932 /nfs/dbraw/zinc/63/69/32/1224636932.db2.gz JXUXMXRDEONJTG-AABGKKOBSA-N 2 2 371.481 0.714 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccccc2)C[C@@H]1O ZINC001219821293 1224636938 /nfs/dbraw/zinc/63/69/38/1224636938.db2.gz JXUXMXRDEONJTG-AABGKKOBSA-N 2 2 371.481 0.714 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412420 1201300039 /nfs/dbraw/zinc/30/00/39/1201300039.db2.gz RFEKFUNGYKWKFT-SJORKVTESA-N 2 2 357.462 0.952 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412420 1201300045 /nfs/dbraw/zinc/30/00/45/1201300045.db2.gz RFEKFUNGYKWKFT-SJORKVTESA-N 2 2 357.462 0.952 20 30 FCEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001129400284 1201305964 /nfs/dbraw/zinc/30/59/64/1201305964.db2.gz CUMXJVNJXVUQDL-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001129400284 1201305968 /nfs/dbraw/zinc/30/59/68/1201305968.db2.gz CUMXJVNJXVUQDL-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001129400284 1201305973 /nfs/dbraw/zinc/30/59/73/1201305973.db2.gz CUMXJVNJXVUQDL-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001129400284 1201305981 /nfs/dbraw/zinc/30/59/81/1201305981.db2.gz CUMXJVNJXVUQDL-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461284 1201326743 /nfs/dbraw/zinc/32/67/43/1201326743.db2.gz UQCFNYVNFUPYJA-FGTMMUONSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461284 1201326748 /nfs/dbraw/zinc/32/67/48/1201326748.db2.gz UQCFNYVNFUPYJA-FGTMMUONSA-N 2 2 358.490 0.763 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC001130216306 1201547154 /nfs/dbraw/zinc/54/71/54/1201547154.db2.gz SJWNGLNMJGILMT-KBPBESRZSA-N 2 2 362.478 0.553 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001130291067 1201578922 /nfs/dbraw/zinc/57/89/22/1201578922.db2.gz WJUPPZOESWIZIF-XLIONFOSSA-N 2 2 371.485 0.841 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061443 1224740995 /nfs/dbraw/zinc/74/09/95/1224740995.db2.gz OTSJDLZFDXMFGP-MOPGFXCFSA-N 2 2 359.470 0.215 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061443 1224740997 /nfs/dbraw/zinc/74/09/97/1224740997.db2.gz OTSJDLZFDXMFGP-MOPGFXCFSA-N 2 2 359.470 0.215 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772349 1202787347 /nfs/dbraw/zinc/78/73/47/1202787347.db2.gz IOCLJSUAOIFKFR-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772349 1202787355 /nfs/dbraw/zinc/78/73/55/1202787355.db2.gz IOCLJSUAOIFKFR-RRFJBIMHSA-N 2 2 360.462 0.348 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772629 1202788207 /nfs/dbraw/zinc/78/82/07/1202788207.db2.gz VDGITNRRNKRRQP-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772629 1202788210 /nfs/dbraw/zinc/78/82/10/1202788210.db2.gz VDGITNRRNKRRQP-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C#CCNC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747836390 1202990301 /nfs/dbraw/zinc/99/03/01/1202990301.db2.gz WJFLADCAGGDNCD-UHFFFAOYSA-N 2 2 357.458 0.442 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220101779 1224762080 /nfs/dbraw/zinc/76/20/80/1224762080.db2.gz BXPWAHTVSBLWMT-MSOLQXFVSA-N 2 2 369.425 0.537 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220101779 1224762086 /nfs/dbraw/zinc/76/20/86/1224762086.db2.gz BXPWAHTVSBLWMT-MSOLQXFVSA-N 2 2 369.425 0.537 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093455214 1206088317 /nfs/dbraw/zinc/08/83/17/1206088317.db2.gz LMDFECMRUFQMIL-SMOSDQRPSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093477798 1206089609 /nfs/dbraw/zinc/08/96/09/1206089609.db2.gz MVYDWDPOLFPJBA-JYBIWHBTSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001110146372 1206091268 /nfs/dbraw/zinc/09/12/68/1206091268.db2.gz XMANRXDXKKWNMO-YSHGAJCASA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001110146372 1206091273 /nfs/dbraw/zinc/09/12/73/1206091273.db2.gz XMANRXDXKKWNMO-YSHGAJCASA-N 2 2 374.529 0.968 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220576602 1224943296 /nfs/dbraw/zinc/94/32/96/1224943296.db2.gz HVGBXHYJGSMYRP-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220576602 1224943306 /nfs/dbraw/zinc/94/33/06/1224943306.db2.gz HVGBXHYJGSMYRP-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669311 1206440915 /nfs/dbraw/zinc/44/09/15/1206440915.db2.gz LGSJKYSAKBAAPC-AXHMDWHKSA-N 2 2 371.485 0.347 20 30 FCEDLP N#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643692 1224983328 /nfs/dbraw/zinc/98/33/28/1224983328.db2.gz OZYZHQRZWRNHCN-XLIONFOSSA-N 3 2 353.470 0.612 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455987 1207457017 /nfs/dbraw/zinc/45/70/17/1207457017.db2.gz IJMLUSAKHCFXPP-DOTOQJQBSA-N 2 2 351.410 0.230 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455987 1207457021 /nfs/dbraw/zinc/45/70/21/1207457021.db2.gz IJMLUSAKHCFXPP-DOTOQJQBSA-N 2 2 351.410 0.230 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456480 1207457424 /nfs/dbraw/zinc/45/74/24/1207457424.db2.gz OWIASLXCECRPGG-DOTOQJQBSA-N 2 2 353.426 0.783 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456480 1207457427 /nfs/dbraw/zinc/45/74/27/1207457427.db2.gz OWIASLXCECRPGG-DOTOQJQBSA-N 2 2 353.426 0.783 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487127 1207688630 /nfs/dbraw/zinc/68/86/30/1207688630.db2.gz RMGGYFGYZJYODA-YESZJQIVSA-N 2 2 357.458 0.334 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487127 1207688634 /nfs/dbraw/zinc/68/86/34/1207688634.db2.gz RMGGYFGYZJYODA-YESZJQIVSA-N 2 2 357.458 0.334 20 30 FCEDLP C#C[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCO1 ZINC000775786517 1208193197 /nfs/dbraw/zinc/19/31/97/1208193197.db2.gz XVRXVHKKDSSSMW-MSOLQXFVSA-N 2 2 363.502 0.908 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001198020241 1208214644 /nfs/dbraw/zinc/21/46/44/1208214644.db2.gz KGIFSHKYSUYSRX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001198020241 1208214646 /nfs/dbraw/zinc/21/46/46/1208214646.db2.gz KGIFSHKYSUYSRX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001198020241 1208214648 /nfs/dbraw/zinc/21/46/48/1208214648.db2.gz KGIFSHKYSUYSRX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001198020241 1208214650 /nfs/dbraw/zinc/21/46/50/1208214650.db2.gz KGIFSHKYSUYSRX-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198690432 1208278660 /nfs/dbraw/zinc/27/86/60/1208278660.db2.gz XOBZFRBWBTWJRK-MISYRCLQSA-N 2 2 371.481 0.168 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198690432 1208278663 /nfs/dbraw/zinc/27/86/63/1208278663.db2.gz XOBZFRBWBTWJRK-MISYRCLQSA-N 2 2 371.481 0.168 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744316 1208285564 /nfs/dbraw/zinc/28/55/64/1208285564.db2.gz PXINJOSURQJQFS-GVDBMIGSSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744316 1208285566 /nfs/dbraw/zinc/28/55/66/1208285566.db2.gz PXINJOSURQJQFS-GVDBMIGSSA-N 2 2 366.506 0.105 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220915273 1225137751 /nfs/dbraw/zinc/13/77/51/1225137751.db2.gz UQOPBJQRSKBPLT-QRWLVFNGSA-N 2 2 367.453 0.231 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000865288974 1209975541 /nfs/dbraw/zinc/97/55/41/1209975541.db2.gz VNSMPTWVSYNKNV-CYBMUJFWSA-N 2 2 355.442 0.713 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+]2CC[C@@H](O)C2)CC1=O ZINC000865288974 1209975544 /nfs/dbraw/zinc/97/55/44/1209975544.db2.gz VNSMPTWVSYNKNV-CYBMUJFWSA-N 2 2 355.442 0.713 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093427 1225218821 /nfs/dbraw/zinc/21/88/21/1225218821.db2.gz MMGVBPQXSNYCDH-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093427 1225218831 /nfs/dbraw/zinc/21/88/31/1225218831.db2.gz MMGVBPQXSNYCDH-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093427 1225218840 /nfs/dbraw/zinc/21/88/40/1225218840.db2.gz MMGVBPQXSNYCDH-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093427 1225218845 /nfs/dbraw/zinc/21/88/45/1225218845.db2.gz MMGVBPQXSNYCDH-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCCC1 ZINC001110862471 1211002017 /nfs/dbraw/zinc/00/20/17/1211002017.db2.gz RLVNIXNHJSZUKD-OAGGEKHMSA-N 2 2 361.490 0.612 20 30 FCEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCCC1 ZINC001110862471 1211002021 /nfs/dbraw/zinc/00/20/21/1211002021.db2.gz RLVNIXNHJSZUKD-OAGGEKHMSA-N 2 2 361.490 0.612 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941084 1211597670 /nfs/dbraw/zinc/59/76/70/1211597670.db2.gz OAYLWTZHACFWOD-NCOADZHNSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941084 1211597673 /nfs/dbraw/zinc/59/76/73/1211597673.db2.gz OAYLWTZHACFWOD-NCOADZHNSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941084 1211597679 /nfs/dbraw/zinc/59/76/79/1211597679.db2.gz OAYLWTZHACFWOD-NCOADZHNSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941084 1211597683 /nfs/dbraw/zinc/59/76/83/1211597683.db2.gz OAYLWTZHACFWOD-NCOADZHNSA-N 2 2 364.490 0.119 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111163958 1211907244 /nfs/dbraw/zinc/90/72/44/1211907244.db2.gz BRKAEVIHKWJYEC-VXIBKDFQSA-N 2 2 362.518 0.824 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111163958 1211907248 /nfs/dbraw/zinc/90/72/48/1211907248.db2.gz BRKAEVIHKWJYEC-VXIBKDFQSA-N 2 2 362.518 0.824 20 30 FCEDLP CN(CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21)c1cc[nH+]cc1 ZINC001221658911 1225422304 /nfs/dbraw/zinc/42/23/04/1225422304.db2.gz AIYACABGCPASID-NVXWUHKLSA-N 2 2 370.457 0.080 20 30 FCEDLP CN(CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21)c1cc[nH+]cc1 ZINC001221658911 1225422309 /nfs/dbraw/zinc/42/23/09/1225422309.db2.gz AIYACABGCPASID-NVXWUHKLSA-N 2 2 370.457 0.080 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762253 1225470595 /nfs/dbraw/zinc/47/05/95/1225470595.db2.gz VOEWSHSKAKQAKN-BRWVUGGUSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762253 1225470599 /nfs/dbraw/zinc/47/05/99/1225470599.db2.gz VOEWSHSKAKQAKN-BRWVUGGUSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762253 1225470604 /nfs/dbraw/zinc/47/06/04/1225470604.db2.gz VOEWSHSKAKQAKN-BRWVUGGUSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762253 1225470610 /nfs/dbraw/zinc/47/06/10/1225470610.db2.gz VOEWSHSKAKQAKN-BRWVUGGUSA-N 2 2 361.490 0.281 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089856 1225597917 /nfs/dbraw/zinc/59/79/17/1225597917.db2.gz WVLVROBRTQQSSX-QZTJIDSGSA-N 2 2 360.502 0.535 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089856 1225597920 /nfs/dbraw/zinc/59/79/20/1225597920.db2.gz WVLVROBRTQQSSX-QZTJIDSGSA-N 2 2 360.502 0.535 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891601 1225663281 /nfs/dbraw/zinc/66/32/81/1225663281.db2.gz FWOSHDFKDOSHKJ-IKGGRYGDSA-N 2 2 371.485 0.986 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891601 1225663284 /nfs/dbraw/zinc/66/32/84/1225663284.db2.gz FWOSHDFKDOSHKJ-IKGGRYGDSA-N 2 2 371.485 0.986 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001222976350 1225671299 /nfs/dbraw/zinc/67/12/99/1225671299.db2.gz MCWDSBICVKFCMM-KDOFPFPSSA-N 2 2 365.437 0.849 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001222976350 1225671301 /nfs/dbraw/zinc/67/13/01/1225671301.db2.gz MCWDSBICVKFCMM-KDOFPFPSSA-N 2 2 365.437 0.849 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992492 1225672284 /nfs/dbraw/zinc/67/22/84/1225672284.db2.gz GQTRZWIDYFZHCG-NUJGCVRESA-N 2 2 369.469 0.118 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992492 1225672287 /nfs/dbraw/zinc/67/22/87/1225672287.db2.gz GQTRZWIDYFZHCG-NUJGCVRESA-N 2 2 369.469 0.118 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001069949285 1216861943 /nfs/dbraw/zinc/86/19/43/1216861943.db2.gz OVDCJCJSZMUMLE-QYZOEREBSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001069949285 1216861945 /nfs/dbraw/zinc/86/19/45/1216861945.db2.gz OVDCJCJSZMUMLE-QYZOEREBSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001069949285 1216861947 /nfs/dbraw/zinc/86/19/47/1216861947.db2.gz OVDCJCJSZMUMLE-QYZOEREBSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001069949285 1216861949 /nfs/dbraw/zinc/86/19/49/1216861949.db2.gz OVDCJCJSZMUMLE-QYZOEREBSA-N 2 2 370.501 0.907 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962441 1216869215 /nfs/dbraw/zinc/86/92/15/1216869215.db2.gz WKWBOANVHIWOSA-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962441 1216869217 /nfs/dbraw/zinc/86/92/17/1216869217.db2.gz WKWBOANVHIWOSA-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070009295 1216896251 /nfs/dbraw/zinc/89/62/51/1216896251.db2.gz SMCGPPOPFBOHPH-CVEARBPZSA-N 2 2 356.430 0.611 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070009295 1216896252 /nfs/dbraw/zinc/89/62/52/1216896252.db2.gz SMCGPPOPFBOHPH-CVEARBPZSA-N 2 2 356.430 0.611 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CC1 ZINC001096608262 1218576475 /nfs/dbraw/zinc/57/64/75/1218576475.db2.gz SVPXLAROPRXQRI-NEWSRXKRSA-N 2 2 355.486 0.987 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199409 1219289236 /nfs/dbraw/zinc/28/92/36/1219289236.db2.gz XWIZCGVLNICRPV-IKGGRYGDSA-N 2 2 368.445 0.056 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199409 1219289239 /nfs/dbraw/zinc/28/92/39/1219289239.db2.gz XWIZCGVLNICRPV-IKGGRYGDSA-N 2 2 368.445 0.056 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070219693 1219302047 /nfs/dbraw/zinc/30/20/47/1219302047.db2.gz DZZGALYSRSLAPD-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070283089 1219347067 /nfs/dbraw/zinc/34/70/67/1219347067.db2.gz WGVXTJAHDOEYFC-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334647 1219383992 /nfs/dbraw/zinc/38/39/92/1219383992.db2.gz JJKGVGVROVCGHM-IXDOHACOSA-N 2 2 355.446 0.504 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#C)CC1 ZINC001070373063 1219402903 /nfs/dbraw/zinc/40/29/03/1219402903.db2.gz XJRDQEVAWRIVKS-HBFSDRIKSA-N 2 2 370.497 0.193 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC#C)CC1 ZINC001070373063 1219402907 /nfs/dbraw/zinc/40/29/07/1219402907.db2.gz XJRDQEVAWRIVKS-HBFSDRIKSA-N 2 2 370.497 0.193 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001070380410 1219405851 /nfs/dbraw/zinc/40/58/51/1219405851.db2.gz FDCCITVQKZTBNN-BEFAXECRSA-N 2 2 357.458 0.451 20 30 FCEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001070381757 1219406908 /nfs/dbraw/zinc/40/69/08/1219406908.db2.gz UCRNBRFOMCYLEO-APWZRJJASA-N 2 2 359.474 0.624 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001070382803 1219407612 /nfs/dbraw/zinc/40/76/12/1219407612.db2.gz RNVRQYJDCXRAAC-UZLBHIALSA-N 2 2 371.485 0.759 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384664 1219408410 /nfs/dbraw/zinc/40/84/10/1219408410.db2.gz CLDNDANWJVXSTC-APWZRJJASA-N 2 2 357.458 0.382 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070506442 1219443430 /nfs/dbraw/zinc/44/34/30/1219443430.db2.gz AZHBMTPVIABVEI-HLLBOEOZSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506483 1219444285 /nfs/dbraw/zinc/44/42/85/1219444285.db2.gz CRHANWYKWFVABR-UWWQBHOKSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001070533550 1219457481 /nfs/dbraw/zinc/45/74/81/1219457481.db2.gz DIHQPMHEDLFNFU-GRDNDAEWSA-N 2 2 352.442 0.781 20 30 FCEDLP 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C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537106 1259163527 /nfs/dbraw/zinc/16/35/27/1259163527.db2.gz PUXMCTLMSXVHQL-UWVAXJGDSA-N 2 2 371.485 0.802 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548170 1259178602 /nfs/dbraw/zinc/17/86/02/1259178602.db2.gz XWWQBRYZMFYIPK-BZUAXINKSA-N 2 2 359.474 0.550 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103981 1259316659 /nfs/dbraw/zinc/31/66/59/1259316659.db2.gz XZTGKMDMYMPDSX-CVEARBPZSA-N 2 2 359.434 0.027 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103981 1259316664 /nfs/dbraw/zinc/31/66/64/1259316664.db2.gz XZTGKMDMYMPDSX-CVEARBPZSA-N 2 2 359.434 0.027 20 30 FCEDLP Cc1cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)ccc1C#N ZINC001247335419 1259701626 /nfs/dbraw/zinc/70/16/26/1259701626.db2.gz YJMFMYYEXYDJSF-AWEZNQCLSA-N 2 2 351.370 0.826 20 30 FCEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001336785656 1260222831 /nfs/dbraw/zinc/22/28/31/1260222831.db2.gz QSINCLYQUYTMTD-ROUUACIJSA-N 2 2 358.442 0.114 20 30 FCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3cnccn3)CC1)C2 ZINC001333184406 1266550154 /nfs/dbraw/zinc/55/01/54/1266550154.db2.gz WVMRTTYNRDXWPI-KOHRHEQBSA-N 2 2 354.458 0.303 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CC[NH+]2CCCC2)CC1 ZINC001574707280 1271497903 /nfs/dbraw/zinc/49/79/03/1271497903.db2.gz QMTSJVQVLRHIJO-GOSISDBHSA-N 3 2 371.533 0.596 20 30 FCEDLP C=CC[N@@H+](C)CCN(CC)C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001574921251 1271679678 /nfs/dbraw/zinc/67/96/78/1271679678.db2.gz VYDQNDJUJICCTO-SFHVURJKSA-N 2 2 355.479 0.653 20 30 FCEDLP C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001574921251 1271679683 /nfs/dbraw/zinc/67/96/83/1271679683.db2.gz VYDQNDJUJICCTO-SFHVURJKSA-N 2 2 355.479 0.653 20 30 FCEDLP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001574921250 1271680390 /nfs/dbraw/zinc/68/03/90/1271680390.db2.gz VYDQNDJUJICCTO-GOSISDBHSA-N 2 2 355.479 0.653 20 30 FCEDLP C=CC[N@H+](C)CCN(CC)C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001574921250 1271680397 /nfs/dbraw/zinc/68/03/97/1271680397.db2.gz VYDQNDJUJICCTO-GOSISDBHSA-N 2 2 355.479 0.653 20 30 FCEDLP C[C@H](Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC001576069259 1272827782 /nfs/dbraw/zinc/82/77/82/1272827782.db2.gz AUUIPMNXYQIQIB-XUWVNRHRSA-N 2 2 361.494 0.942 20 30 FCEDLP CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001579350033 1277205038 /nfs/dbraw/zinc/20/50/38/1277205038.db2.gz WNNVYLOMRLPWMJ-CYBMUJFWSA-N 2 2 368.449 0.133 20 30 FCEDLP CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001579350033 1277205044 /nfs/dbraw/zinc/20/50/44/1277205044.db2.gz WNNVYLOMRLPWMJ-CYBMUJFWSA-N 2 2 368.449 0.133 20 30 FCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001588657733 1282608910 /nfs/dbraw/zinc/60/89/10/1282608910.db2.gz VHMCYYQAUCCEPS-OAHLLOKOSA-N 2 2 358.446 0.846 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001692176231 1289415561 /nfs/dbraw/zinc/41/55/61/1289415561.db2.gz LJJURHIDWZTRTE-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001692176231 1289415565 /nfs/dbraw/zinc/41/55/65/1289415565.db2.gz LJJURHIDWZTRTE-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001692176231 1289415568 /nfs/dbraw/zinc/41/55/68/1289415568.db2.gz LJJURHIDWZTRTE-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001692176231 1289415570 /nfs/dbraw/zinc/41/55/70/1289415570.db2.gz LJJURHIDWZTRTE-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001692266947 1289439339 /nfs/dbraw/zinc/43/93/39/1289439339.db2.gz DARGGBDQGJFGJL-SJORKVTESA-N 2 2 371.485 0.456 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001692266947 1289439346 /nfs/dbraw/zinc/43/93/46/1289439346.db2.gz DARGGBDQGJFGJL-SJORKVTESA-N 2 2 371.485 0.456 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001757266699 1290754413 /nfs/dbraw/zinc/75/44/13/1290754413.db2.gz PWMBNPMLSFTAOU-KURKYZTESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001757266699 1290754417 /nfs/dbraw/zinc/75/44/17/1290754417.db2.gz PWMBNPMLSFTAOU-KURKYZTESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001757266699 1290754420 /nfs/dbraw/zinc/75/44/20/1290754420.db2.gz PWMBNPMLSFTAOU-KURKYZTESA-N 2 2 362.518 0.968 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001757266699 1290754423 /nfs/dbraw/zinc/75/44/23/1290754423.db2.gz PWMBNPMLSFTAOU-KURKYZTESA-N 2 2 362.518 0.968 20 30 FCEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001690127984 1294859533 /nfs/dbraw/zinc/85/95/33/1294859533.db2.gz IALAEHLUAYFYNS-INMHGKMJSA-N 2 2 371.485 0.797 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)CC1 ZINC001087840373 842447935 /nfs/dbraw/zinc/44/79/35/842447935.db2.gz UYLLHPTWZJARAC-DLBZAZTESA-N 2 2 369.531 0.345 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)CC1 ZINC001087840373 842447943 /nfs/dbraw/zinc/44/79/43/842447943.db2.gz UYLLHPTWZJARAC-DLBZAZTESA-N 2 2 369.531 0.345 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC001119384678 847830284 /nfs/dbraw/zinc/83/02/84/847830284.db2.gz WODPJPXQWGUVPI-MRXNPFEDSA-N 2 2 352.479 0.073 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC001119384678 847830294 /nfs/dbraw/zinc/83/02/94/847830294.db2.gz WODPJPXQWGUVPI-MRXNPFEDSA-N 2 2 352.479 0.073 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316776 849097166 /nfs/dbraw/zinc/09/71/66/849097166.db2.gz VURREGIJUGMBKQ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316776 849097177 /nfs/dbraw/zinc/09/71/77/849097177.db2.gz VURREGIJUGMBKQ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316776 849097185 /nfs/dbraw/zinc/09/71/85/849097185.db2.gz VURREGIJUGMBKQ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316776 849097193 /nfs/dbraw/zinc/09/71/93/849097193.db2.gz VURREGIJUGMBKQ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193998787 852522458 /nfs/dbraw/zinc/52/24/58/852522458.db2.gz VHCPKRKDDZMMPA-BRWVUGGUSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193998787 852522461 /nfs/dbraw/zinc/52/24/61/852522461.db2.gz VHCPKRKDDZMMPA-BRWVUGGUSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193998788 852522499 /nfs/dbraw/zinc/52/24/99/852522499.db2.gz VHCPKRKDDZMMPA-IXDOHACOSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193998788 852522501 /nfs/dbraw/zinc/52/25/01/852522501.db2.gz VHCPKRKDDZMMPA-IXDOHACOSA-N 2 2 350.463 0.834 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213335328 854579322 /nfs/dbraw/zinc/57/93/22/854579322.db2.gz AWBXRTHAUIGOEI-HZPDHXFCSA-N 2 2 351.447 0.973 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213335328 854579333 /nfs/dbraw/zinc/57/93/33/854579333.db2.gz AWBXRTHAUIGOEI-HZPDHXFCSA-N 2 2 351.447 0.973 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434395 854614712 /nfs/dbraw/zinc/61/47/12/854614712.db2.gz AFCBUVOWWORIPJ-OWCLPIDISA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434395 854614715 /nfs/dbraw/zinc/61/47/15/854614715.db2.gz AFCBUVOWWORIPJ-OWCLPIDISA-N 2 2 354.495 0.224 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646017 855456950 /nfs/dbraw/zinc/45/69/50/855456950.db2.gz NIAWBKHZGNPFHA-DLBZAZTESA-N 2 2 351.491 0.526 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646017 855456953 /nfs/dbraw/zinc/45/69/53/855456953.db2.gz NIAWBKHZGNPFHA-DLBZAZTESA-N 2 2 351.491 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646017 855456958 /nfs/dbraw/zinc/45/69/58/855456958.db2.gz NIAWBKHZGNPFHA-DLBZAZTESA-N 2 2 351.491 0.526 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646017 855456963 /nfs/dbraw/zinc/45/69/63/855456963.db2.gz NIAWBKHZGNPFHA-DLBZAZTESA-N 2 2 351.491 0.526 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355421 856080708 /nfs/dbraw/zinc/08/07/08/856080708.db2.gz OYJFBHBOJWBXRV-RVKKMQEKSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355421 856080714 /nfs/dbraw/zinc/08/07/14/856080714.db2.gz OYJFBHBOJWBXRV-RVKKMQEKSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355421 856080719 /nfs/dbraw/zinc/08/07/19/856080719.db2.gz OYJFBHBOJWBXRV-RVKKMQEKSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355421 856080725 /nfs/dbraw/zinc/08/07/25/856080725.db2.gz OYJFBHBOJWBXRV-RVKKMQEKSA-N 2 2 355.454 0.010 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286129 946797063 /nfs/dbraw/zinc/79/70/63/946797063.db2.gz UOACHCKPYUPZHT-AWEZNQCLSA-N 2 2 373.486 0.574 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286129 946797067 /nfs/dbraw/zinc/79/70/67/946797067.db2.gz UOACHCKPYUPZHT-AWEZNQCLSA-N 2 2 373.486 0.574 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286129 946797075 /nfs/dbraw/zinc/79/70/75/946797075.db2.gz UOACHCKPYUPZHT-AWEZNQCLSA-N 2 2 373.486 0.574 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000419856035 246325785 /nfs/dbraw/zinc/32/57/85/246325785.db2.gz RNKYWCFEGKGAGG-UHFFFAOYSA-N 2 2 369.469 0.461 20 30 FCEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000424143974 247171911 /nfs/dbraw/zinc/17/19/11/247171911.db2.gz KLRLFUHBJDKYQW-KRWDZBQOSA-N 2 2 363.506 0.848 20 30 FCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328726060 488933378 /nfs/dbraw/zinc/93/33/78/488933378.db2.gz UKUCZVLKEFIEEY-DLBZAZTESA-N 2 2 353.511 0.190 20 30 FCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328726060 488933381 /nfs/dbraw/zinc/93/33/81/488933381.db2.gz UKUCZVLKEFIEEY-DLBZAZTESA-N 2 2 353.511 0.190 20 30 FCEDLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563145218 491221104 /nfs/dbraw/zinc/22/11/04/491221104.db2.gz VXMZZJXBSNRLLU-HUUCEWRRSA-N 2 2 357.458 0.444 20 30 FCEDLP C[NH+]1CCN(C(=O)C2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329743838 489032099 /nfs/dbraw/zinc/03/20/99/489032099.db2.gz QHSLUVDHHRGWJN-HNNXBMFYSA-N 2 2 374.489 0.667 20 30 FCEDLP C[NH+]1CCN(C(=O)C2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)CC1 ZINC000329743838 489032107 /nfs/dbraw/zinc/03/21/07/489032107.db2.gz QHSLUVDHHRGWJN-HNNXBMFYSA-N 2 2 374.489 0.667 20 30 FCEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329872058 489044130 /nfs/dbraw/zinc/04/41/30/489044130.db2.gz CUWZKRQAKZCXMR-XHSDSOJGSA-N 2 2 352.479 0.749 20 30 FCEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329872058 489044134 /nfs/dbraw/zinc/04/41/34/489044134.db2.gz CUWZKRQAKZCXMR-XHSDSOJGSA-N 2 2 352.479 0.749 20 30 FCEDLP Cc1nsc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000289377267 489063218 /nfs/dbraw/zinc/06/32/18/489063218.db2.gz BYHOGSGVEJMXSL-UHFFFAOYSA-N 2 2 362.503 0.609 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]21 ZINC000330223638 489081821 /nfs/dbraw/zinc/08/18/21/489081821.db2.gz NERFSLYHYJHXFG-WCXIOVBPSA-N 2 2 352.479 0.293 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]21 ZINC000330223638 489081825 /nfs/dbraw/zinc/08/18/25/489081825.db2.gz NERFSLYHYJHXFG-WCXIOVBPSA-N 2 2 352.479 0.293 20 30 FCEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000330235704 489082912 /nfs/dbraw/zinc/08/29/12/489082912.db2.gz UCDMDIVBXVJCEK-ZACQAIPSSA-N 2 2 353.511 0.189 20 30 FCEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000330235704 489082915 /nfs/dbraw/zinc/08/29/15/489082915.db2.gz UCDMDIVBXVJCEK-ZACQAIPSSA-N 2 2 353.511 0.189 20 30 FCEDLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330290240 489088667 /nfs/dbraw/zinc/08/86/67/489088667.db2.gz CGVCWSNVKCOMAW-IAGOWNOFSA-N 2 2 354.495 0.542 20 30 FCEDLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331296479 489194909 /nfs/dbraw/zinc/19/49/09/489194909.db2.gz NGRXTQURSDZHJZ-OAHLLOKOSA-N 2 2 353.511 0.915 20 30 FCEDLP N#Cc1ccc([C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000431125540 489789564 /nfs/dbraw/zinc/78/95/64/489789564.db2.gz JTFWDSWKQZCTLF-GOSISDBHSA-N 2 2 357.458 0.666 20 30 FCEDLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423011502 490517476 /nfs/dbraw/zinc/51/74/76/490517476.db2.gz IXVOXYMPSAJTNN-SFHVURJKSA-N 2 2 369.469 0.270 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423008396 490518047 /nfs/dbraw/zinc/51/80/47/490518047.db2.gz ACHKJSSWCJAUAW-QGZVFWFLSA-N 2 2 355.442 0.152 20 30 FCEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536756844 490611911 /nfs/dbraw/zinc/61/19/11/490611911.db2.gz OWHGVLUETPCRHL-MRXNPFEDSA-N 2 2 369.473 0.985 20 30 FCEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536756844 490611918 /nfs/dbraw/zinc/61/19/18/490611918.db2.gz OWHGVLUETPCRHL-MRXNPFEDSA-N 2 2 369.473 0.985 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000530230983 490894740 /nfs/dbraw/zinc/89/47/40/490894740.db2.gz KYJVUFJVWVVYIR-RBUKOAKNSA-N 2 2 374.485 0.294 20 30 FCEDLP CN(C)c1nc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc[nH+]1 ZINC000567895386 491538941 /nfs/dbraw/zinc/53/89/41/491538941.db2.gz GEINWPWJKDDZSK-UHFFFAOYSA-N 2 2 363.429 0.779 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000575191651 491544431 /nfs/dbraw/zinc/54/44/31/491544431.db2.gz UELOSZWZLDFKOU-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000575191651 491544434 /nfs/dbraw/zinc/54/44/34/491544434.db2.gz UELOSZWZLDFKOU-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000577958996 491665612 /nfs/dbraw/zinc/66/56/12/491665612.db2.gz MYXYEHYTZOPBMF-UHFFFAOYSA-N 2 2 374.489 0.211 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000585711648 491723484 /nfs/dbraw/zinc/72/34/84/491723484.db2.gz XBWXJINUPFJBLT-KRWDZBQOSA-N 2 2 369.469 0.459 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000585711648 491723485 /nfs/dbraw/zinc/72/34/85/491723485.db2.gz XBWXJINUPFJBLT-KRWDZBQOSA-N 2 2 369.469 0.459 20 30 FCEDLP O=C1CCCN1[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000580459508 491732516 /nfs/dbraw/zinc/73/25/16/491732516.db2.gz VHZMMWKLFJRATJ-ROUUACIJSA-N 2 2 358.486 0.383 20 30 FCEDLP O=C1CCCN1[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000580459508 491732517 /nfs/dbraw/zinc/73/25/17/491732517.db2.gz VHZMMWKLFJRATJ-ROUUACIJSA-N 2 2 358.486 0.383 20 30 FCEDLP C(#CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582901892 491831245 /nfs/dbraw/zinc/83/12/45/491831245.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 2 354.462 0.847 20 30 FCEDLP C(#CC[N@H+]1CCC[C@@H](n2ccnn2)C1)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582901892 491831247 /nfs/dbraw/zinc/83/12/47/491831247.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 2 354.462 0.847 20 30 FCEDLP C(#CC[N@@H+]1CCC[C@H](n2ccnn2)C1)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582901892 491831248 /nfs/dbraw/zinc/83/12/48/491831248.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 2 354.462 0.847 20 30 FCEDLP C(#CC[N@H+]1CCC[C@H](n2ccnn2)C1)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582901892 491831250 /nfs/dbraw/zinc/83/12/50/491831250.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 2 354.462 0.847 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000601583974 491937000 /nfs/dbraw/zinc/93/70/00/491937000.db2.gz ZVRGLIBUFGHDDY-HDICACEKSA-N 2 2 367.453 0.165 20 30 FCEDLP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000610259337 492240238 /nfs/dbraw/zinc/24/02/38/492240238.db2.gz NSKDZKQQCXYZRT-MRXNPFEDSA-N 2 2 370.457 0.154 20 30 FCEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000619780000 492278087 /nfs/dbraw/zinc/27/80/87/492278087.db2.gz NAKJYJNUDSVAAG-UHFFFAOYSA-N 2 2 372.473 0.710 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000632254008 492957215 /nfs/dbraw/zinc/95/72/15/492957215.db2.gz HOQICOZHRUGLLL-IAGOWNOFSA-N 2 2 359.536 0.935 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000632254008 492957221 /nfs/dbraw/zinc/95/72/21/492957221.db2.gz HOQICOZHRUGLLL-IAGOWNOFSA-N 2 2 359.536 0.935 20 30 FCEDLP C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410907355 526277069 /nfs/dbraw/zinc/27/70/69/526277069.db2.gz CLTZXDLUEUBFFQ-UHFFFAOYSA-N 2 2 354.495 0.132 20 30 FCEDLP C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410907355 526277075 /nfs/dbraw/zinc/27/70/75/526277075.db2.gz CLTZXDLUEUBFFQ-UHFFFAOYSA-N 2 2 354.495 0.132 20 30 FCEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262809209 526378095 /nfs/dbraw/zinc/37/80/95/526378095.db2.gz TUUPKWJPTKBKEA-SJLPKXTDSA-N 3 2 369.579 0.653 20 30 FCEDLP C=CCOC[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000348405636 666225571 /nfs/dbraw/zinc/22/55/71/666225571.db2.gz DEXZJDXHUDURGN-MRXNPFEDSA-N 2 2 350.463 0.668 20 30 FCEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996078047 666900373 /nfs/dbraw/zinc/90/03/73/666900373.db2.gz IQRJIXCHNZSFEG-IKGGRYGDSA-N 2 2 351.491 0.879 20 30 FCEDLP CN(C)c1cc[nH+]cc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000776179420 668249875 /nfs/dbraw/zinc/24/98/75/668249875.db2.gz TYTQXCJDGGXNOT-UHFFFAOYSA-N 2 2 350.492 0.668 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1 ZINC001104306081 1169873317 /nfs/dbraw/zinc/87/33/17/1169873317.db2.gz JTXAKFAMVWFSHQ-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)n2)C1 ZINC001104306081 1169873318 /nfs/dbraw/zinc/87/33/18/1169873318.db2.gz JTXAKFAMVWFSHQ-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112501403 1170033817 /nfs/dbraw/zinc/03/38/17/1170033817.db2.gz YLMVXXKKBFNKPX-LPHOPBHVSA-N 2 2 357.458 0.241 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329452144 1179386929 /nfs/dbraw/zinc/38/69/29/1179386929.db2.gz NFJRSTDDJBTORC-KRWDZBQOSA-N 2 2 367.538 0.771 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329452144 1179386941 /nfs/dbraw/zinc/38/69/41/1179386941.db2.gz NFJRSTDDJBTORC-KRWDZBQOSA-N 2 2 367.538 0.771 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)CC1 ZINC001083283442 1182499730 /nfs/dbraw/zinc/49/97/30/1182499730.db2.gz BJVIMVFNPUISQN-VQTJNVASSA-N 2 2 368.481 0.838 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)CC1 ZINC001083283442 1182499733 /nfs/dbraw/zinc/49/97/33/1182499733.db2.gz BJVIMVFNPUISQN-VQTJNVASSA-N 2 2 368.481 0.838 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001691499179 1186639342 /nfs/dbraw/zinc/63/93/42/1186639342.db2.gz QBPRLRBFWJYHON-LVQVYYBASA-N 2 2 357.458 0.242 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001691499179 1186639343 /nfs/dbraw/zinc/63/93/43/1186639343.db2.gz QBPRLRBFWJYHON-LVQVYYBASA-N 2 2 357.458 0.242 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075744211 1188061370 /nfs/dbraw/zinc/06/13/70/1188061370.db2.gz FRVUZWKJOHQLGB-HRCADAONSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075744211 1188061376 /nfs/dbraw/zinc/06/13/76/1188061376.db2.gz FRVUZWKJOHQLGB-HRCADAONSA-N 2 2 357.458 0.662 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536232 1188354530 /nfs/dbraw/zinc/35/45/30/1188354530.db2.gz YITBDTGFDYYJSI-VCBZYWHSSA-N 2 2 357.458 0.308 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1CC ZINC001087607007 1189656137 /nfs/dbraw/zinc/65/61/37/1189656137.db2.gz FSWPAKLMWFFLAT-KSZLIROESA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1CC ZINC001087607007 1189656143 /nfs/dbraw/zinc/65/61/43/1189656143.db2.gz FSWPAKLMWFFLAT-KSZLIROESA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C2CC2)[C@@H]1CC ZINC001087607007 1189656151 /nfs/dbraw/zinc/65/61/51/1189656151.db2.gz FSWPAKLMWFFLAT-KSZLIROESA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C2CC2)[C@@H]1CC ZINC001087607007 1189656161 /nfs/dbraw/zinc/65/61/61/1189656161.db2.gz FSWPAKLMWFFLAT-KSZLIROESA-N 2 2 360.502 0.674 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087989075 1190133893 /nfs/dbraw/zinc/13/38/93/1190133893.db2.gz OGSRBWSVCVZKLS-RYRKJORJSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087989075 1190133900 /nfs/dbraw/zinc/13/39/00/1190133900.db2.gz OGSRBWSVCVZKLS-RYRKJORJSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121153 1190614098 /nfs/dbraw/zinc/61/40/98/1190614098.db2.gz RADYVYOFGIQZMD-HLLBOEOZSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121153 1190614105 /nfs/dbraw/zinc/61/41/05/1190614105.db2.gz RADYVYOFGIQZMD-HLLBOEOZSA-N 2 2 357.458 0.519 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218245142 1224149736 /nfs/dbraw/zinc/14/97/36/1224149736.db2.gz WBGLNAROTVXDHZ-LSDHHAIUSA-N 2 2 373.409 0.294 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218450075 1224161394 /nfs/dbraw/zinc/16/13/94/1224161394.db2.gz VCMBXANOGIVSDY-MJXUCMMTSA-N 2 2 373.409 0.293 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465857 1193795251 /nfs/dbraw/zinc/79/52/51/1193795251.db2.gz WCRDZFARJBQHPN-AQNXPRMDSA-N 2 2 371.456 0.680 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465857 1193795253 /nfs/dbraw/zinc/79/52/53/1193795253.db2.gz WCRDZFARJBQHPN-AQNXPRMDSA-N 2 2 371.456 0.680 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@@H]1O ZINC001083535749 1194226479 /nfs/dbraw/zinc/22/64/79/1194226479.db2.gz KCRWHWJEFVNWOJ-QYZOEREBSA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@@H]1O ZINC001083535749 1194226481 /nfs/dbraw/zinc/22/64/81/1194226481.db2.gz KCRWHWJEFVNWOJ-QYZOEREBSA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2C)C[C@@H]1O ZINC001083535749 1194226485 /nfs/dbraw/zinc/22/64/85/1194226485.db2.gz KCRWHWJEFVNWOJ-QYZOEREBSA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2C)C[C@@H]1O ZINC001083535749 1194226489 /nfs/dbraw/zinc/22/64/89/1194226489.db2.gz KCRWHWJEFVNWOJ-QYZOEREBSA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076604594 1194594018 /nfs/dbraw/zinc/59/40/18/1194594018.db2.gz NEYHXUQMGQDMHW-RYQLBKOJSA-N 2 2 370.501 0.754 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076604594 1194594023 /nfs/dbraw/zinc/59/40/23/1194594023.db2.gz NEYHXUQMGQDMHW-RYQLBKOJSA-N 2 2 370.501 0.754 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001691765062 1195924679 /nfs/dbraw/zinc/92/46/79/1195924679.db2.gz JMTYEHZSRVEKCN-HFTRVMKXSA-N 2 2 357.458 0.508 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001691765062 1195924681 /nfs/dbraw/zinc/92/46/81/1195924681.db2.gz JMTYEHZSRVEKCN-HFTRVMKXSA-N 2 2 357.458 0.508 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000057153174 1196501159 /nfs/dbraw/zinc/50/11/59/1196501159.db2.gz BWFKMHPOFVSMLI-UHFFFAOYSA-N 2 2 367.457 0.357 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342940 1197871060 /nfs/dbraw/zinc/87/10/60/1197871060.db2.gz JTMJDHYDFMCGKP-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP N#CCC(=O)Nc1nc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070877 1199044738 /nfs/dbraw/zinc/04/47/38/1199044738.db2.gz FCHSEOVIVCZBPJ-LLVKDONJSA-N 2 2 351.370 0.530 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396793 1200242405 /nfs/dbraw/zinc/24/24/05/1200242405.db2.gz JUXSEIBCVAFJMV-BDXSIMOUSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396793 1200242409 /nfs/dbraw/zinc/24/24/09/1200242409.db2.gz JUXSEIBCVAFJMV-BDXSIMOUSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396793 1200242413 /nfs/dbraw/zinc/24/24/13/1200242413.db2.gz JUXSEIBCVAFJMV-BDXSIMOUSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396793 1200242417 /nfs/dbraw/zinc/24/24/17/1200242417.db2.gz JUXSEIBCVAFJMV-BDXSIMOUSA-N 2 2 362.518 0.988 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986535 1200679543 /nfs/dbraw/zinc/67/95/43/1200679543.db2.gz ZRAIGVSOWZNMLE-DEICHXMPSA-N 2 2 369.469 0.621 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986535 1200679545 /nfs/dbraw/zinc/67/95/45/1200679545.db2.gz ZRAIGVSOWZNMLE-DEICHXMPSA-N 2 2 369.469 0.621 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001114297044 1201288499 /nfs/dbraw/zinc/28/84/99/1201288499.db2.gz ZTQIJWNXEGGBAZ-KLBVCGFUSA-N 2 2 368.481 0.850 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001114297044 1201288502 /nfs/dbraw/zinc/28/85/02/1201288502.db2.gz ZTQIJWNXEGGBAZ-KLBVCGFUSA-N 2 2 368.481 0.850 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129916996 1201427227 /nfs/dbraw/zinc/42/72/27/1201427227.db2.gz IYJXCNLHTRKYBX-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898416 1201432033 /nfs/dbraw/zinc/43/20/33/1201432033.db2.gz URAVZQBAOMOMOY-SRABZTEZSA-N 2 2 371.445 0.349 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898416 1201432037 /nfs/dbraw/zinc/43/20/37/1201432037.db2.gz URAVZQBAOMOMOY-SRABZTEZSA-N 2 2 371.445 0.349 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130244905 1201564561 /nfs/dbraw/zinc/56/45/61/1201564561.db2.gz QJKOKULOQJKQTL-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001130295778 1201579411 /nfs/dbraw/zinc/57/94/11/1201579411.db2.gz RSFSHAGMMYHARV-UZLBHIALSA-N 2 2 371.485 0.461 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130621961 1202738398 /nfs/dbraw/zinc/73/83/98/1202738398.db2.gz JGBPZVIKAURPTA-HHXXYDBFSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130721381 1202766538 /nfs/dbraw/zinc/76/65/38/1202766538.db2.gz DVRCBOFXNAVFTK-FUHWJXTLSA-N 2 2 354.458 0.694 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130787318 1202797278 /nfs/dbraw/zinc/79/72/78/1202797278.db2.gz LDNBYHWUYGKSII-LZWOXQAQSA-N 2 2 362.478 0.450 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790357 1202798721 /nfs/dbraw/zinc/79/87/21/1202798721.db2.gz VWLJJJOVDQEUOZ-SQWLQELKSA-N 2 2 360.462 0.204 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)n3cc[nH+]c3)n2)O1 ZINC001130811964 1202804921 /nfs/dbraw/zinc/80/49/21/1202804921.db2.gz UMWMQDISTIWBPV-QLFBSQMISA-N 2 2 371.445 0.712 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817576 1202808397 /nfs/dbraw/zinc/80/83/97/1202808397.db2.gz UBUASKOLYFCECV-LSDHHAIUSA-N 2 2 362.478 0.903 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130819630 1202808976 /nfs/dbraw/zinc/80/89/76/1202808976.db2.gz ANIFBNDUUUTGGF-UONOGXRCSA-N 2 2 359.434 0.703 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316491 1202885167 /nfs/dbraw/zinc/88/51/67/1202885167.db2.gz LAXPUTPZLSNBGM-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316491 1202885170 /nfs/dbraw/zinc/88/51/70/1202885170.db2.gz LAXPUTPZLSNBGM-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316395 1202885503 /nfs/dbraw/zinc/88/55/03/1202885503.db2.gz HMIINNYHVUKMCY-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316395 1202885505 /nfs/dbraw/zinc/88/55/05/1202885505.db2.gz HMIINNYHVUKMCY-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316395 1202885507 /nfs/dbraw/zinc/88/55/07/1202885507.db2.gz HMIINNYHVUKMCY-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316395 1202885508 /nfs/dbraw/zinc/88/55/08/1202885508.db2.gz HMIINNYHVUKMCY-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304589 1204826622 /nfs/dbraw/zinc/82/66/22/1204826622.db2.gz JEQYVXCYTGNCBI-ARFHVFGLSA-N 2 2 371.485 0.749 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304589 1204826623 /nfs/dbraw/zinc/82/66/23/1204826623.db2.gz JEQYVXCYTGNCBI-ARFHVFGLSA-N 2 2 371.485 0.749 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cnn(C)c1 ZINC001086983983 1204879257 /nfs/dbraw/zinc/87/92/57/1204879257.db2.gz SHNWHHSZAULKNB-DLBZAZTESA-N 2 2 354.458 0.878 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001092299697 1205233338 /nfs/dbraw/zinc/23/33/38/1205233338.db2.gz FGLVUMRZSRQTJS-XLIONFOSSA-N 2 2 370.501 0.739 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001092299697 1205233343 /nfs/dbraw/zinc/23/33/43/1205233343.db2.gz FGLVUMRZSRQTJS-XLIONFOSSA-N 2 2 370.501 0.739 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158657 1206234680 /nfs/dbraw/zinc/23/46/80/1206234680.db2.gz RYFIDCTWWQBDKE-DOADOZAASA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158657 1206234681 /nfs/dbraw/zinc/23/46/81/1206234681.db2.gz RYFIDCTWWQBDKE-DOADOZAASA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752725 1206364900 /nfs/dbraw/zinc/36/49/00/1206364900.db2.gz ZSJLNHHKKDVHIR-ARFHVFGLSA-N 2 2 359.474 0.917 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752725 1206364902 /nfs/dbraw/zinc/36/49/02/1206364902.db2.gz ZSJLNHHKKDVHIR-ARFHVFGLSA-N 2 2 359.474 0.917 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326333 1206520998 /nfs/dbraw/zinc/52/09/98/1206520998.db2.gz LSFHOUWKQSIKCU-GVDBMIGSSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326333 1206520999 /nfs/dbraw/zinc/52/09/99/1206520999.db2.gz LSFHOUWKQSIKCU-GVDBMIGSSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326333 1206521000 /nfs/dbraw/zinc/52/10/00/1206521000.db2.gz LSFHOUWKQSIKCU-GVDBMIGSSA-N 2 2 361.490 0.375 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CC1 ZINC001193780841 1207888280 /nfs/dbraw/zinc/88/82/80/1207888280.db2.gz GBICUDQYVIBLAW-KURKYZTESA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CC1 ZINC001193780841 1207888281 /nfs/dbraw/zinc/88/82/81/1207888281.db2.gz GBICUDQYVIBLAW-KURKYZTESA-N 2 2 360.433 0.699 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CCC1 ZINC001193792096 1207889157 /nfs/dbraw/zinc/88/91/57/1207889157.db2.gz XGXJHHWRTUSJBH-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CCC1 ZINC001193792096 1207889158 /nfs/dbraw/zinc/88/91/58/1207889158.db2.gz XGXJHHWRTUSJBH-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CCC1 ZINC001193792096 1207889159 /nfs/dbraw/zinc/88/91/59/1207889159.db2.gz XGXJHHWRTUSJBH-QZTJIDSGSA-N 2 2 360.433 0.843 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605187 1207965153 /nfs/dbraw/zinc/96/51/53/1207965153.db2.gz ZGAJJKOWGJTCPZ-IAGOWNOFSA-N 2 2 357.414 0.245 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605187 1207965157 /nfs/dbraw/zinc/96/51/57/1207965157.db2.gz ZGAJJKOWGJTCPZ-IAGOWNOFSA-N 2 2 357.414 0.245 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894445 1208043481 /nfs/dbraw/zinc/04/34/81/1208043481.db2.gz XYAINYQCKXBOCY-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894445 1208043485 /nfs/dbraw/zinc/04/34/85/1208043485.db2.gz XYAINYQCKXBOCY-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894445 1208043489 /nfs/dbraw/zinc/04/34/89/1208043489.db2.gz XYAINYQCKXBOCY-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894445 1208043493 /nfs/dbraw/zinc/04/34/93/1208043493.db2.gz XYAINYQCKXBOCY-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048985 1208130681 /nfs/dbraw/zinc/13/06/81/1208130681.db2.gz JDCMTKHLCLAGQV-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048985 1208130684 /nfs/dbraw/zinc/13/06/84/1208130684.db2.gz JDCMTKHLCLAGQV-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690757 1208186871 /nfs/dbraw/zinc/18/68/71/1208186871.db2.gz XTVQTPXYMWEQMJ-GGPKGHCWSA-N 2 2 359.470 0.275 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690757 1208186872 /nfs/dbraw/zinc/18/68/72/1208186872.db2.gz XTVQTPXYMWEQMJ-GGPKGHCWSA-N 2 2 359.470 0.275 20 30 FCEDLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724922 1208191471 /nfs/dbraw/zinc/19/14/71/1208191471.db2.gz YKYKLADYEWEXMS-QRVBRYPASA-N 2 2 359.470 0.491 20 30 FCEDLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724922 1208191473 /nfs/dbraw/zinc/19/14/73/1208191473.db2.gz YKYKLADYEWEXMS-QRVBRYPASA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724922 1208191477 /nfs/dbraw/zinc/19/14/77/1208191477.db2.gz YKYKLADYEWEXMS-QRVBRYPASA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O)c1ccccc1 ZINC001197724922 1208191482 /nfs/dbraw/zinc/19/14/82/1208191482.db2.gz YKYKLADYEWEXMS-QRVBRYPASA-N 2 2 359.470 0.491 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001110661585 1209583113 /nfs/dbraw/zinc/58/31/13/1209583113.db2.gz ZJTXWTIEEQSOBE-HZMVEIRTSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001110661585 1209583118 /nfs/dbraw/zinc/58/31/18/1209583118.db2.gz ZJTXWTIEEQSOBE-HZMVEIRTSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110661585 1209583126 /nfs/dbraw/zinc/58/31/26/1209583126.db2.gz ZJTXWTIEEQSOBE-HZMVEIRTSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110661585 1209583131 /nfs/dbraw/zinc/58/31/31/1209583131.db2.gz ZJTXWTIEEQSOBE-HZMVEIRTSA-N 2 2 361.490 0.611 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771230 1209817595 /nfs/dbraw/zinc/81/75/95/1209817595.db2.gz NFCWDVDFPBBINZ-UWIFEVILSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771230 1209817597 /nfs/dbraw/zinc/81/75/97/1209817597.db2.gz NFCWDVDFPBBINZ-UWIFEVILSA-N 2 2 365.437 0.807 20 30 FCEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000879589577 1210490875 /nfs/dbraw/zinc/49/08/75/1210490875.db2.gz IJUFFXWOKVJVFY-UHFFFAOYSA-N 2 2 359.449 0.983 20 30 FCEDLP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691729896 1210853354 /nfs/dbraw/zinc/85/33/54/1210853354.db2.gz WOFYDJVFMUCHIH-XDNAFOTISA-N 2 2 351.491 0.927 20 30 FCEDLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001275522384 1211253361 /nfs/dbraw/zinc/25/33/61/1211253361.db2.gz KHJLXPVENBXWEC-UHFFFAOYSA-N 2 2 358.442 0.564 20 30 FCEDLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001221256911 1225282882 /nfs/dbraw/zinc/28/28/82/1225282882.db2.gz RABQZZJXCNOWMT-IRXDYDNUSA-N 2 2 369.425 0.452 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097115 1211879412 /nfs/dbraw/zinc/87/94/12/1211879412.db2.gz LJSDPIRSTDELJE-TVFCKZIOSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097115 1211879415 /nfs/dbraw/zinc/87/94/15/1211879415.db2.gz LJSDPIRSTDELJE-TVFCKZIOSA-N 2 2 360.502 0.722 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)C1=O ZINC001095768329 1211982296 /nfs/dbraw/zinc/98/22/96/1211982296.db2.gz DVRGRGQXVRTJTK-QZWWFDLISA-N 2 2 357.458 0.700 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639190 1212214460 /nfs/dbraw/zinc/21/44/60/1212214460.db2.gz NRVOUZALTIVVIC-OTWHNJEPSA-N 2 2 363.502 0.812 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639190 1212214462 /nfs/dbraw/zinc/21/44/62/1212214462.db2.gz NRVOUZALTIVVIC-OTWHNJEPSA-N 2 2 363.502 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281410 1212233297 /nfs/dbraw/zinc/23/32/97/1212233297.db2.gz QVKUGAPXSANBJW-ZACQAIPSSA-N 2 2 373.501 0.566 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281410 1212233299 /nfs/dbraw/zinc/23/32/99/1212233299.db2.gz QVKUGAPXSANBJW-ZACQAIPSSA-N 2 2 373.501 0.566 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283248 1212239825 /nfs/dbraw/zinc/23/98/25/1212239825.db2.gz JEIFJSILUVYWOU-UNEWFSDZSA-N 2 2 355.442 0.232 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283248 1212239828 /nfs/dbraw/zinc/23/98/28/1212239828.db2.gz JEIFJSILUVYWOU-UNEWFSDZSA-N 2 2 355.442 0.232 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710686 1225452615 /nfs/dbraw/zinc/45/26/15/1225452615.db2.gz DVJHMBLKCGMSDA-LMMKCTJWSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710686 1225452618 /nfs/dbraw/zinc/45/26/18/1225452618.db2.gz DVJHMBLKCGMSDA-LMMKCTJWSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817335 1225490575 /nfs/dbraw/zinc/49/05/75/1225490575.db2.gz QFCXBVLOMLRXMB-BRWVUGGUSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817335 1225490578 /nfs/dbraw/zinc/49/05/78/1225490578.db2.gz QFCXBVLOMLRXMB-BRWVUGGUSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817335 1225490583 /nfs/dbraw/zinc/49/05/83/1225490583.db2.gz QFCXBVLOMLRXMB-BRWVUGGUSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817335 1225490584 /nfs/dbraw/zinc/49/05/84/1225490584.db2.gz QFCXBVLOMLRXMB-BRWVUGGUSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848592 1225504946 /nfs/dbraw/zinc/50/49/46/1225504946.db2.gz WFGGSPZLEALGIG-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848592 1225504950 /nfs/dbraw/zinc/50/49/50/1225504950.db2.gz WFGGSPZLEALGIG-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848592 1225504956 /nfs/dbraw/zinc/50/49/56/1225504956.db2.gz WFGGSPZLEALGIG-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848592 1225504965 /nfs/dbraw/zinc/50/49/65/1225504965.db2.gz WFGGSPZLEALGIG-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001221878047 1225519158 /nfs/dbraw/zinc/51/91/58/1225519158.db2.gz ZCQRMUBZYORMEM-NUJGCVRESA-N 2 2 363.506 0.525 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001221878047 1225519163 /nfs/dbraw/zinc/51/91/63/1225519163.db2.gz ZCQRMUBZYORMEM-NUJGCVRESA-N 2 2 363.506 0.525 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910539 1225531231 /nfs/dbraw/zinc/53/12/31/1225531231.db2.gz IJECYFZQLZQZRC-QZTJIDSGSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910539 1225531234 /nfs/dbraw/zinc/53/12/34/1225531234.db2.gz IJECYFZQLZQZRC-QZTJIDSGSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000963716796 1214840435 /nfs/dbraw/zinc/84/04/35/1214840435.db2.gz LTOKGQMDKWPCJB-GMNCBBECSA-N 2 2 363.502 0.859 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222018046 1225577514 /nfs/dbraw/zinc/57/75/14/1225577514.db2.gz KAPNHTHHGNKEQL-QZTJIDSGSA-N 2 2 371.485 0.925 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222018046 1225577518 /nfs/dbraw/zinc/57/75/18/1225577518.db2.gz KAPNHTHHGNKEQL-QZTJIDSGSA-N 2 2 371.485 0.925 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222799576 1225654300 /nfs/dbraw/zinc/65/43/00/1225654300.db2.gz LWBQRJYLAIWIAO-OAGGEKHMSA-N 2 2 367.469 0.229 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222799576 1225654303 /nfs/dbraw/zinc/65/43/03/1225654303.db2.gz LWBQRJYLAIWIAO-OAGGEKHMSA-N 2 2 367.469 0.229 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013562 1225673519 /nfs/dbraw/zinc/67/35/19/1225673519.db2.gz NPTPAHCRMBYKPM-RYRKJORJSA-N 2 2 369.469 0.118 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013562 1225673521 /nfs/dbraw/zinc/67/35/21/1225673521.db2.gz NPTPAHCRMBYKPM-RYRKJORJSA-N 2 2 369.469 0.118 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006137 1216893134 /nfs/dbraw/zinc/89/31/34/1216893134.db2.gz FLJOHGFTNISXEX-KSZLIROESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006137 1216893136 /nfs/dbraw/zinc/89/31/36/1216893136.db2.gz FLJOHGFTNISXEX-KSZLIROESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006137 1216893138 /nfs/dbraw/zinc/89/31/38/1216893138.db2.gz FLJOHGFTNISXEX-KSZLIROESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006137 1216893139 /nfs/dbraw/zinc/89/31/39/1216893139.db2.gz FLJOHGFTNISXEX-KSZLIROESA-N 2 2 358.490 0.765 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916475 1225746136 /nfs/dbraw/zinc/74/61/36/1225746136.db2.gz KCYSGNXQZHRVLZ-QAPCUYQASA-N 2 2 371.485 0.986 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916475 1225746139 /nfs/dbraw/zinc/74/61/39/1225746139.db2.gz KCYSGNXQZHRVLZ-QAPCUYQASA-N 2 2 371.485 0.986 20 30 FCEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046063226 1217993540 /nfs/dbraw/zinc/99/35/40/1217993540.db2.gz MZMUXZBWYMLNIU-RCCFBDPRSA-N 2 2 355.486 0.765 20 30 FCEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046063226 1217993544 /nfs/dbraw/zinc/99/35/44/1217993544.db2.gz MZMUXZBWYMLNIU-RCCFBDPRSA-N 2 2 355.486 0.765 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224583192 1225785362 /nfs/dbraw/zinc/78/53/62/1225785362.db2.gz LLVZBBYAXTYWRG-HZPDHXFCSA-N 2 2 357.458 0.101 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@H]2O)CC[N@@H+]1C ZINC001047385814 1218137097 /nfs/dbraw/zinc/13/70/97/1218137097.db2.gz BURLIAGRHZXHGF-OAOYMFHYSA-N 2 2 356.470 0.902 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001047385814 1218137099 /nfs/dbraw/zinc/13/70/99/1218137099.db2.gz BURLIAGRHZXHGF-OAOYMFHYSA-N 2 2 356.470 0.902 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CC[NH+]1C ZINC001047385814 1218137102 /nfs/dbraw/zinc/13/71/02/1218137102.db2.gz BURLIAGRHZXHGF-OAOYMFHYSA-N 2 2 356.470 0.902 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CC[NH+]1C ZINC001047385814 1218137104 /nfs/dbraw/zinc/13/71/04/1218137104.db2.gz BURLIAGRHZXHGF-OAOYMFHYSA-N 2 2 356.470 0.902 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070198190 1219287839 /nfs/dbraw/zinc/28/78/39/1219287839.db2.gz SCZCGNGZCMOSOB-CVEARBPZSA-N 2 2 355.446 0.581 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220694 1219302787 /nfs/dbraw/zinc/30/27/87/1219302787.db2.gz NKGBUYRMUOTJCP-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1n1ccnn1 ZINC001070246084 1219316195 /nfs/dbraw/zinc/31/61/95/1219316195.db2.gz DFHYAPFTKMFSGP-MSOLQXFVSA-N 2 2 361.409 0.752 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306622 1219363954 /nfs/dbraw/zinc/36/39/54/1219363954.db2.gz MEFFBNRNUKFTKM-SJORKVTESA-N 2 2 362.397 0.147 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001098676529 1219809878 /nfs/dbraw/zinc/80/98/78/1219809878.db2.gz PDKKCYBQBQZYKL-FGTMMUONSA-N 2 2 358.490 0.895 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001098676529 1219809879 /nfs/dbraw/zinc/80/98/79/1219809879.db2.gz PDKKCYBQBQZYKL-FGTMMUONSA-N 2 2 358.490 0.895 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnon2)C3)CC1 ZINC001099174596 1219941084 /nfs/dbraw/zinc/94/10/84/1219941084.db2.gz VNNZMVOOIYVVMH-LPHOPBHVSA-N 2 2 357.458 0.886 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnon2)C3)CC1 ZINC001099174596 1219941089 /nfs/dbraw/zinc/94/10/89/1219941089.db2.gz VNNZMVOOIYVVMH-LPHOPBHVSA-N 2 2 357.458 0.886 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800323 1225951672 /nfs/dbraw/zinc/95/16/72/1225951672.db2.gz JKAMGCWGVMBZII-HZPDHXFCSA-N 2 2 360.462 0.731 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285910 1220267913 /nfs/dbraw/zinc/26/79/13/1220267913.db2.gz AIJZSDMNWSSDPY-BEFAXECRSA-N 2 2 360.458 0.780 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285910 1220267917 /nfs/dbraw/zinc/26/79/17/1220267917.db2.gz AIJZSDMNWSSDPY-BEFAXECRSA-N 2 2 360.458 0.780 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377009 1220308543 /nfs/dbraw/zinc/30/85/43/1220308543.db2.gz NTIHWRVZZIKMSQ-FCEWJHQRSA-N 2 2 357.458 0.364 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377009 1220308549 /nfs/dbraw/zinc/30/85/49/1220308549.db2.gz NTIHWRVZZIKMSQ-FCEWJHQRSA-N 2 2 357.458 0.364 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101430090 1220339765 /nfs/dbraw/zinc/33/97/65/1220339765.db2.gz OINCIBGFZPMALY-KUHUBIRLSA-N 2 2 357.458 0.217 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101430090 1220339769 /nfs/dbraw/zinc/33/97/69/1220339769.db2.gz OINCIBGFZPMALY-KUHUBIRLSA-N 2 2 357.458 0.217 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177326 1220537162 /nfs/dbraw/zinc/53/71/62/1220537162.db2.gz SFEXCIJMOFJTRE-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177326 1220537171 /nfs/dbraw/zinc/53/71/71/1220537171.db2.gz SFEXCIJMOFJTRE-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613186 1220731285 /nfs/dbraw/zinc/73/12/85/1220731285.db2.gz QTQIAMGKFQIMHN-SJLPKXTDSA-N 2 2 371.485 0.442 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613186 1220731293 /nfs/dbraw/zinc/73/12/93/1220731293.db2.gz QTQIAMGKFQIMHN-SJLPKXTDSA-N 2 2 371.485 0.442 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001102613186 1220731300 /nfs/dbraw/zinc/73/13/00/1220731300.db2.gz QTQIAMGKFQIMHN-SJLPKXTDSA-N 2 2 371.485 0.442 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001102613186 1220731304 /nfs/dbraw/zinc/73/13/04/1220731304.db2.gz QTQIAMGKFQIMHN-SJLPKXTDSA-N 2 2 371.485 0.442 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163062 1220842442 /nfs/dbraw/zinc/84/24/42/1220842442.db2.gz VWJDQMCTCFYXGC-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163062 1220842443 /nfs/dbraw/zinc/84/24/43/1220842443.db2.gz VWJDQMCTCFYXGC-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290182 1220861475 /nfs/dbraw/zinc/86/14/75/1220861475.db2.gz CCUXOTXHYCBGGP-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290182 1220861479 /nfs/dbraw/zinc/86/14/79/1220861479.db2.gz CCUXOTXHYCBGGP-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111740715 1221084522 /nfs/dbraw/zinc/08/45/22/1221084522.db2.gz LDNZOJPOPRARFV-FCEWJHQRSA-N 2 2 361.490 0.470 20 30 FCEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111740715 1221084527 /nfs/dbraw/zinc/08/45/27/1221084527.db2.gz LDNZOJPOPRARFV-FCEWJHQRSA-N 2 2 361.490 0.470 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111740715 1221084531 /nfs/dbraw/zinc/08/45/31/1221084531.db2.gz LDNZOJPOPRARFV-FCEWJHQRSA-N 2 2 361.490 0.470 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111740715 1221084535 /nfs/dbraw/zinc/08/45/35/1221084535.db2.gz LDNZOJPOPRARFV-FCEWJHQRSA-N 2 2 361.490 0.470 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171321 1221212332 /nfs/dbraw/zinc/21/23/32/1221212332.db2.gz DMEQSWXYFMESOI-CYZMBNFOSA-N 2 2 371.363 0.069 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410856 1221254261 /nfs/dbraw/zinc/25/42/61/1221254261.db2.gz SKCZDJDQOBSTRC-ROYATCLZSA-N 2 2 369.469 0.481 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410856 1221254264 /nfs/dbraw/zinc/25/42/64/1221254264.db2.gz SKCZDJDQOBSTRC-ROYATCLZSA-N 2 2 369.469 0.481 20 30 FCEDLP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410841 1221254364 /nfs/dbraw/zinc/25/43/64/1221254364.db2.gz RTUYLAMXEKYLFL-HRLGVUPISA-N 2 2 370.457 0.371 20 30 FCEDLP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410841 1221254369 /nfs/dbraw/zinc/25/43/69/1221254369.db2.gz RTUYLAMXEKYLFL-HRLGVUPISA-N 2 2 370.457 0.371 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001116499282 1221367051 /nfs/dbraw/zinc/36/70/51/1221367051.db2.gz CGTWAGCUHWHPPD-UHFFFAOYSA-N 2 2 353.426 0.540 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001116499282 1221367054 /nfs/dbraw/zinc/36/70/54/1221367054.db2.gz CGTWAGCUHWHPPD-UHFFFAOYSA-N 2 2 353.426 0.540 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC001118616129 1221808920 /nfs/dbraw/zinc/80/89/20/1221808920.db2.gz IQQVMWKRFZYAFS-JKSUJKDBSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC001118616129 1221808922 /nfs/dbraw/zinc/80/89/22/1221808922.db2.gz IQQVMWKRFZYAFS-JKSUJKDBSA-N 2 2 361.490 0.423 20 30 FCEDLP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791333 1222212213 /nfs/dbraw/zinc/21/22/13/1222212213.db2.gz MITVWVBGNUUZRV-KOWXXPJWSA-N 2 2 371.485 0.843 20 30 FCEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000834493262 1222576106 /nfs/dbraw/zinc/57/61/06/1222576106.db2.gz CHJWTLLQAIYGSX-HOCLYGCPSA-N 2 2 352.398 0.753 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277710752 1226166345 /nfs/dbraw/zinc/16/63/45/1226166345.db2.gz BENWLSBHUWVCGZ-IAGOWNOFSA-N 2 2 360.458 0.149 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593959 1223249875 /nfs/dbraw/zinc/24/98/75/1223249875.db2.gz RDFNUBGOOXFWFD-RBSFLKMASA-N 2 2 357.458 0.527 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593959 1223249876 /nfs/dbraw/zinc/24/98/76/1223249876.db2.gz RDFNUBGOOXFWFD-RBSFLKMASA-N 2 2 357.458 0.527 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757519 1223475908 /nfs/dbraw/zinc/47/59/08/1223475908.db2.gz DZKUDBHMVWQEPP-ZIAGYGMSSA-N 2 2 367.494 0.165 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757519 1223475911 /nfs/dbraw/zinc/47/59/11/1223475911.db2.gz DZKUDBHMVWQEPP-ZIAGYGMSSA-N 2 2 367.494 0.165 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757519 1223475914 /nfs/dbraw/zinc/47/59/14/1223475914.db2.gz DZKUDBHMVWQEPP-ZIAGYGMSSA-N 2 2 367.494 0.165 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757519 1223475916 /nfs/dbraw/zinc/47/59/16/1223475916.db2.gz DZKUDBHMVWQEPP-ZIAGYGMSSA-N 2 2 367.494 0.165 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007909 1223505519 /nfs/dbraw/zinc/50/55/19/1223505519.db2.gz NFHSLEKPXZGAQV-BFYDXBDKSA-N 2 2 371.485 0.336 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007909 1223505521 /nfs/dbraw/zinc/50/55/21/1223505521.db2.gz NFHSLEKPXZGAQV-BFYDXBDKSA-N 2 2 371.485 0.336 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001208091915 1223515367 /nfs/dbraw/zinc/51/53/67/1223515367.db2.gz GZQYIWQUJYGYKM-CRAIPNDOSA-N 2 2 371.485 0.481 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001208091915 1223515369 /nfs/dbraw/zinc/51/53/69/1223515369.db2.gz GZQYIWQUJYGYKM-CRAIPNDOSA-N 2 2 371.485 0.481 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448017 1223743333 /nfs/dbraw/zinc/74/33/33/1223743333.db2.gz UOPRXXJJGSOTDZ-ZHALLVOQSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448017 1223743335 /nfs/dbraw/zinc/74/33/35/1223743335.db2.gz UOPRXXJJGSOTDZ-ZHALLVOQSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211448017 1223743338 /nfs/dbraw/zinc/74/33/38/1223743338.db2.gz UOPRXXJJGSOTDZ-ZHALLVOQSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211448017 1223743341 /nfs/dbraw/zinc/74/33/41/1223743341.db2.gz UOPRXXJJGSOTDZ-ZHALLVOQSA-N 2 2 370.497 0.693 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175001 1223763447 /nfs/dbraw/zinc/76/34/47/1223763447.db2.gz FXWKEGXJLVUQQM-SJLPKXTDSA-N 2 2 362.474 0.780 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175001 1223763449 /nfs/dbraw/zinc/76/34/49/1223763449.db2.gz FXWKEGXJLVUQQM-SJLPKXTDSA-N 2 2 362.474 0.780 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213109 1223769313 /nfs/dbraw/zinc/76/93/13/1223769313.db2.gz FYDNSXQJJNYTLK-QZTJIDSGSA-N 2 2 365.518 0.964 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213109 1223769316 /nfs/dbraw/zinc/76/93/16/1223769316.db2.gz FYDNSXQJJNYTLK-QZTJIDSGSA-N 2 2 365.518 0.964 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213932177 1223875484 /nfs/dbraw/zinc/87/54/84/1223875484.db2.gz YFQHVXKFYIBHDF-QRVBRYPASA-N 2 2 365.518 0.962 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213932177 1223875487 /nfs/dbraw/zinc/87/54/87/1223875487.db2.gz YFQHVXKFYIBHDF-QRVBRYPASA-N 2 2 365.518 0.962 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531340 1223919419 /nfs/dbraw/zinc/91/94/19/1223919419.db2.gz YXAMCSUUUQLASQ-HZPDHXFCSA-N 2 2 359.474 0.979 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226841 1223983614 /nfs/dbraw/zinc/98/36/14/1223983614.db2.gz UKKKULSRFVACMU-ZACQAIPSSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216393039 1224048444 /nfs/dbraw/zinc/04/84/44/1224048444.db2.gz UMIQBFFREPKEPJ-NVXWUHKLSA-N 2 2 359.474 0.600 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1C ZINC001003676380 1253053250 /nfs/dbraw/zinc/05/32/50/1253053250.db2.gz JFWGELIJJQTYSV-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1C ZINC001003676380 1253053253 /nfs/dbraw/zinc/05/32/53/1253053253.db2.gz JFWGELIJJQTYSV-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005755479 1253624683 /nfs/dbraw/zinc/62/46/83/1253624683.db2.gz HOKAHVFWHDZQKZ-MOPGFXCFSA-N 2 2 363.502 0.812 20 30 FCEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033907650 1253971151 /nfs/dbraw/zinc/97/11/51/1253971151.db2.gz DXPURNFURONOJQ-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033907650 1253971161 /nfs/dbraw/zinc/97/11/61/1253971161.db2.gz DXPURNFURONOJQ-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001078227115 1255338868 /nfs/dbraw/zinc/33/88/68/1255338868.db2.gz JQMWMJRZLCPBRP-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001078227115 1255338877 /nfs/dbraw/zinc/33/88/77/1255338877.db2.gz JQMWMJRZLCPBRP-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078228496 1255341866 /nfs/dbraw/zinc/34/18/66/1255341866.db2.gz SROOUKMKKWZUNX-NHCUHLMSSA-N 2 2 365.477 0.545 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078228496 1255341872 /nfs/dbraw/zinc/34/18/72/1255341872.db2.gz SROOUKMKKWZUNX-NHCUHLMSSA-N 2 2 365.477 0.545 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079130001 1255443867 /nfs/dbraw/zinc/44/38/67/1255443867.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079130001 1255443870 /nfs/dbraw/zinc/44/38/70/1255443870.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079130001 1255443875 /nfs/dbraw/zinc/44/38/75/1255443875.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079130001 1255443877 /nfs/dbraw/zinc/44/38/77/1255443877.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 2 359.470 0.577 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC001330465617 1266033204 /nfs/dbraw/zinc/03/32/04/1266033204.db2.gz GSDVIHASEOKNLN-JKSUJKDBSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC001330465617 1266033213 /nfs/dbraw/zinc/03/32/13/1266033213.db2.gz GSDVIHASEOKNLN-JKSUJKDBSA-N 2 2 366.506 0.321 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082457817 1256770109 /nfs/dbraw/zinc/77/01/09/1256770109.db2.gz HAKNFRMAMPGCGY-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082457817 1256770114 /nfs/dbraw/zinc/77/01/14/1256770114.db2.gz HAKNFRMAMPGCGY-XWIAVFTESA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001082568002 1256872916 /nfs/dbraw/zinc/87/29/16/1256872916.db2.gz RAMSRDSAXKFNLC-NXHRZFHOSA-N 2 2 358.490 0.893 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001082568002 1256872927 /nfs/dbraw/zinc/87/29/27/1256872927.db2.gz RAMSRDSAXKFNLC-NXHRZFHOSA-N 2 2 358.490 0.893 20 30 FCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)[C@H]2C1 ZINC001083089254 1257291704 /nfs/dbraw/zinc/29/17/04/1257291704.db2.gz ZWAJDJIPUCLHOS-FGTMMUONSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)[C@H]2C1 ZINC001083089254 1257291710 /nfs/dbraw/zinc/29/17/10/1257291710.db2.gz ZWAJDJIPUCLHOS-FGTMMUONSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083089254 1257291716 /nfs/dbraw/zinc/29/17/16/1257291716.db2.gz ZWAJDJIPUCLHOS-FGTMMUONSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083089254 1257291721 /nfs/dbraw/zinc/29/17/21/1257291721.db2.gz ZWAJDJIPUCLHOS-FGTMMUONSA-N 2 2 357.458 0.725 20 30 FCEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083781126 1257524641 /nfs/dbraw/zinc/52/46/41/1257524641.db2.gz VWUUSNJZHJXKBP-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083781126 1257524646 /nfs/dbraw/zinc/52/46/46/1257524646.db2.gz VWUUSNJZHJXKBP-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083781126 1257524650 /nfs/dbraw/zinc/52/46/50/1257524650.db2.gz VWUUSNJZHJXKBP-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083781126 1257524654 /nfs/dbraw/zinc/52/46/54/1257524654.db2.gz VWUUSNJZHJXKBP-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1F ZINC001083958821 1257749486 /nfs/dbraw/zinc/74/94/86/1257749486.db2.gz XXAQYORMEKFXRG-SJORKVTESA-N 2 2 358.417 0.454 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1F ZINC001083958821 1257749491 /nfs/dbraw/zinc/74/94/91/1257749491.db2.gz XXAQYORMEKFXRG-SJORKVTESA-N 2 2 358.417 0.454 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251221 1257988023 /nfs/dbraw/zinc/98/80/23/1257988023.db2.gz FVUILLPWYPMVRK-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251221 1257988027 /nfs/dbraw/zinc/98/80/27/1257988027.db2.gz FVUILLPWYPMVRK-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251221 1257988032 /nfs/dbraw/zinc/98/80/32/1257988032.db2.gz FVUILLPWYPMVRK-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251221 1257988035 /nfs/dbraw/zinc/98/80/35/1257988035.db2.gz FVUILLPWYPMVRK-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC001084961073 1258472757 /nfs/dbraw/zinc/47/27/57/1258472757.db2.gz JCTOTICXEVEFMK-QYZOEREBSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(C)c3)[C@H]2C1 ZINC001084961073 1258472761 /nfs/dbraw/zinc/47/27/61/1258472761.db2.gz JCTOTICXEVEFMK-QYZOEREBSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnn(C)c3)[C@H]2C1 ZINC001084961073 1258472765 /nfs/dbraw/zinc/47/27/65/1258472765.db2.gz JCTOTICXEVEFMK-QYZOEREBSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnn(C)c3)[C@H]2C1 ZINC001084961073 1258472769 /nfs/dbraw/zinc/47/27/69/1258472769.db2.gz JCTOTICXEVEFMK-QYZOEREBSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084961078 1258472889 /nfs/dbraw/zinc/47/28/89/1258472889.db2.gz JIJYZSPTDKCTRE-SQNIBIBYSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084961078 1258472891 /nfs/dbraw/zinc/47/28/91/1258472891.db2.gz JIJYZSPTDKCTRE-SQNIBIBYSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084961078 1258472893 /nfs/dbraw/zinc/47/28/93/1258472893.db2.gz JIJYZSPTDKCTRE-SQNIBIBYSA-N 2 2 358.486 0.239 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084961078 1258472896 /nfs/dbraw/zinc/47/28/96/1258472896.db2.gz JIJYZSPTDKCTRE-SQNIBIBYSA-N 2 2 358.486 0.239 20 30 FCEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995085 1258503257 /nfs/dbraw/zinc/50/32/57/1258503257.db2.gz JFXAUIQKXDHQDW-YRXWBPOGSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995085 1258503261 /nfs/dbraw/zinc/50/32/61/1258503261.db2.gz JFXAUIQKXDHQDW-YRXWBPOGSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172579 1259035676 /nfs/dbraw/zinc/03/56/76/1259035676.db2.gz AJPHMXHXLOJXDQ-RHSMWYFYSA-N 2 2 362.478 0.294 20 30 FCEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172579 1259035683 /nfs/dbraw/zinc/03/56/83/1259035683.db2.gz AJPHMXHXLOJXDQ-RHSMWYFYSA-N 2 2 362.478 0.294 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107634201 1259139701 /nfs/dbraw/zinc/13/97/01/1259139701.db2.gz PFHPZCFNYHXPCB-CRAIPNDOSA-N 2 2 358.446 0.192 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107634201 1259139705 /nfs/dbraw/zinc/13/97/05/1259139705.db2.gz PFHPZCFNYHXPCB-CRAIPNDOSA-N 2 2 358.446 0.192 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cccc(C#N)n3)CC2)C1=O ZINC001232923747 1259544187 /nfs/dbraw/zinc/54/41/87/1259544187.db2.gz HSFSPKVXIGDHHI-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cccc(C#N)n3)CC2)C1=O ZINC001232923747 1259544194 /nfs/dbraw/zinc/54/41/94/1259544194.db2.gz HSFSPKVXIGDHHI-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C=C[C@](C)(O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252552846 1259795354 /nfs/dbraw/zinc/79/53/54/1259795354.db2.gz NAFIJJLZLLPYKU-APWZRJJASA-N 2 2 364.490 0.605 20 30 FCEDLP C=C[C@](C)(O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252552846 1259795361 /nfs/dbraw/zinc/79/53/61/1259795361.db2.gz NAFIJJLZLLPYKU-APWZRJJASA-N 2 2 364.490 0.605 20 30 FCEDLP Cn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[NH+](C)CCO4)C3)C2)cc1C#N ZINC001273218277 1260628022 /nfs/dbraw/zinc/62/80/22/1260628022.db2.gz SEWVOZORLINUAW-KRWDZBQOSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[NH+](C)CCO4)C3)C2)cc1C#N ZINC001273218277 1260628031 /nfs/dbraw/zinc/62/80/31/1260628031.db2.gz SEWVOZORLINUAW-KRWDZBQOSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C3)C2)cc1C#N ZINC001273218277 1260628039 /nfs/dbraw/zinc/62/80/39/1260628039.db2.gz SEWVOZORLINUAW-KRWDZBQOSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C3)C2)cc1C#N ZINC001273218277 1260628048 /nfs/dbraw/zinc/62/80/48/1260628048.db2.gz SEWVOZORLINUAW-KRWDZBQOSA-N 2 2 357.458 0.262 20 30 FCEDLP C=CCn1c(CCO)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001342414407 1269464179 /nfs/dbraw/zinc/46/41/79/1269464179.db2.gz BJGRPNSMFLQLAP-UHFFFAOYSA-N 2 2 362.522 0.995 20 30 FCEDLP C=CCn1c(CCO)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001342414407 1269464183 /nfs/dbraw/zinc/46/41/83/1269464183.db2.gz BJGRPNSMFLQLAP-UHFFFAOYSA-N 2 2 362.522 0.995 20 30 FCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001343410039 1269900896 /nfs/dbraw/zinc/90/08/96/1269900896.db2.gz UDFCWNBWBAOQBF-MRXNPFEDSA-N 2 2 359.474 0.920 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2([NH3+])COC2)CC1 ZINC001574673960 1271479016 /nfs/dbraw/zinc/47/90/16/1271479016.db2.gz SDTRZZZYWSQYFI-UHFFFAOYSA-N 2 2 352.442 0.428 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CCC(C)(C)O)CC1 ZINC001574706861 1271497394 /nfs/dbraw/zinc/49/73/94/1271497394.db2.gz IUBOUNLJPMRZOQ-INIZCTEOSA-N 2 2 360.506 0.661 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH2+]C2CC2)CC1 ZINC001574707733 1271497985 /nfs/dbraw/zinc/49/79/85/1271497985.db2.gz YDJORRJLPAZMOC-UHFFFAOYSA-N 2 2 371.489 0.021 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001602721519 1287078915 /nfs/dbraw/zinc/07/89/15/1287078915.db2.gz MSZZQNKGDJOUCP-CJNGLKHVSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001602721519 1287078927 /nfs/dbraw/zinc/07/89/27/1287078927.db2.gz MSZZQNKGDJOUCP-CJNGLKHVSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692084811 1289391712 /nfs/dbraw/zinc/39/17/12/1289391712.db2.gz MUYCXVXOHPIQKQ-ZACQAIPSSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692084811 1289391720 /nfs/dbraw/zinc/39/17/20/1289391720.db2.gz MUYCXVXOHPIQKQ-ZACQAIPSSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692084810 1289393441 /nfs/dbraw/zinc/39/34/41/1289393441.db2.gz MUYCXVXOHPIQKQ-BBWFWOEESA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692084810 1289393445 /nfs/dbraw/zinc/39/34/45/1289393445.db2.gz MUYCXVXOHPIQKQ-BBWFWOEESA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001689017596 1294568131 /nfs/dbraw/zinc/56/81/31/1294568131.db2.gz WCDUCFAEHMKVAX-OWCLPIDISA-N 2 2 359.474 0.365 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001689325100 1294748372 /nfs/dbraw/zinc/74/83/72/1294748372.db2.gz CAXNUDVZOWBPAA-PBHICJAKSA-N 2 2 366.425 0.209 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001689325100 1294748380 /nfs/dbraw/zinc/74/83/80/1294748380.db2.gz CAXNUDVZOWBPAA-PBHICJAKSA-N 2 2 366.425 0.209 20 30 FCEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001100525307 844053831 /nfs/dbraw/zinc/05/38/31/844053831.db2.gz WOFYDJVFMUCHIH-HIEASXQVSA-N 2 2 351.491 0.927 20 30 FCEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086436457 842132630 /nfs/dbraw/zinc/13/26/30/842132630.db2.gz IQXKIOGERSMMEZ-TVFCKZIOSA-N 2 2 351.491 0.927 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109362709 845630246 /nfs/dbraw/zinc/63/02/46/845630246.db2.gz BHXBCVQSVCNSAF-WCVJEAGWSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109362709 845630250 /nfs/dbraw/zinc/63/02/50/845630250.db2.gz BHXBCVQSVCNSAF-WCVJEAGWSA-N 2 2 354.470 0.690 20 30 FCEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795506 861613269 /nfs/dbraw/zinc/61/32/69/861613269.db2.gz LKZCNICPIWGMMG-VQIMIIECSA-N 2 2 353.507 0.862 20 30 FCEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795506 861613272 /nfs/dbraw/zinc/61/32/72/861613272.db2.gz LKZCNICPIWGMMG-VQIMIIECSA-N 2 2 353.507 0.862 20 30 FCEDLP C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234610 848982596 /nfs/dbraw/zinc/98/25/96/848982596.db2.gz DMMINRPSQVWFIS-STQMWFEESA-N 2 2 370.885 0.587 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130817327 849048788 /nfs/dbraw/zinc/04/87/88/849048788.db2.gz LYRUGWKGRXEDAV-UONOGXRCSA-N 2 2 350.467 0.758 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130817327 849048791 /nfs/dbraw/zinc/04/87/91/849048791.db2.gz LYRUGWKGRXEDAV-UONOGXRCSA-N 2 2 350.467 0.758 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316051 849095640 /nfs/dbraw/zinc/09/56/40/849095640.db2.gz ACDLDAYLSOKHOI-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316051 849095646 /nfs/dbraw/zinc/09/56/46/849095646.db2.gz ACDLDAYLSOKHOI-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001166315960 850472449 /nfs/dbraw/zinc/47/24/49/850472449.db2.gz XECBRFLCMJZENO-SJORKVTESA-N 2 2 351.491 0.928 20 30 FCEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878405 850698802 /nfs/dbraw/zinc/69/88/02/850698802.db2.gz KAXONGUSSZCQRC-KURKYZTESA-N 2 2 351.491 0.764 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585869 853701603 /nfs/dbraw/zinc/70/16/03/853701603.db2.gz GJVVHRNFGOEMEU-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585869 853701608 /nfs/dbraw/zinc/70/16/08/853701608.db2.gz GJVVHRNFGOEMEU-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206585869 853701616 /nfs/dbraw/zinc/70/16/16/853701616.db2.gz GJVVHRNFGOEMEU-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206585869 853701623 /nfs/dbraw/zinc/70/16/23/853701623.db2.gz GJVVHRNFGOEMEU-BRWVUGGUSA-N 2 2 350.507 0.942 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218048571 855393166 /nfs/dbraw/zinc/39/31/66/855393166.db2.gz GVAGOPQJXWPNGL-IXDOHACOSA-N 2 2 355.454 0.228 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218048571 855393168 /nfs/dbraw/zinc/39/31/68/855393168.db2.gz GVAGOPQJXWPNGL-IXDOHACOSA-N 2 2 355.454 0.228 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219821795 855832002 /nfs/dbraw/zinc/83/20/02/855832002.db2.gz ZBOVUVHQWVJYTL-SQNIBIBYSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219821795 855832006 /nfs/dbraw/zinc/83/20/06/855832006.db2.gz ZBOVUVHQWVJYTL-SQNIBIBYSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@@H]1O ZINC001219821795 855832011 /nfs/dbraw/zinc/83/20/11/855832011.db2.gz ZBOVUVHQWVJYTL-SQNIBIBYSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@@H]1O ZINC001219821795 855832016 /nfs/dbraw/zinc/83/20/16/855832016.db2.gz ZBOVUVHQWVJYTL-SQNIBIBYSA-N 2 2 351.491 0.308 20 30 FCEDLP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246313814 857573776 /nfs/dbraw/zinc/57/37/76/857573776.db2.gz UEIZSDMELVXUOI-ILXRZTDVSA-N 2 2 355.479 0.875 20 30 FCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253689892 857904793 /nfs/dbraw/zinc/90/47/93/857904793.db2.gz VMNRRSWPFLXZHZ-KRWDZBQOSA-N 2 2 353.507 0.981 20 30 FCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000424142905 247171278 /nfs/dbraw/zinc/17/12/78/247171278.db2.gz IWXJCAXHSDHZPU-WMZOPIPTSA-N 2 2 360.458 0.592 20 30 FCEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424152666 247173002 /nfs/dbraw/zinc/17/30/02/247173002.db2.gz ITTUAFMCDVSYGM-OAHLLOKOSA-N 2 2 358.446 0.258 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[S@@](=O)Cc1ccccc1 ZINC000267445360 229379952 /nfs/dbraw/zinc/37/99/52/229379952.db2.gz PYECIPZHFDWRSG-XMMPIXPASA-N 2 2 352.504 0.562 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000328877948 488946191 /nfs/dbraw/zinc/94/61/91/488946191.db2.gz UJIOCEBTFTZZTH-AWEZNQCLSA-N 2 2 362.478 0.676 20 30 FCEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000060481413 488290479 /nfs/dbraw/zinc/29/04/79/488290479.db2.gz NGBYUAKZWSZTHT-UHFFFAOYSA-N 2 2 356.474 0.676 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083720773 488448604 /nfs/dbraw/zinc/44/86/04/488448604.db2.gz IBWXSINQFOVTFZ-KRWDZBQOSA-N 2 2 354.495 0.361 20 30 FCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269680580 488512366 /nfs/dbraw/zinc/51/23/66/488512366.db2.gz FLDNPQGXNVIUIQ-QWHCGFSZSA-N 2 2 374.532 0.271 20 30 FCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269680580 488512369 /nfs/dbraw/zinc/51/23/69/488512369.db2.gz FLDNPQGXNVIUIQ-QWHCGFSZSA-N 2 2 374.532 0.271 20 30 FCEDLP C[C@](O)(CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270337 488987515 /nfs/dbraw/zinc/98/75/15/488987515.db2.gz HJSUSCDNHAEJDW-AEFFLSMTSA-N 2 2 355.479 0.670 20 30 FCEDLP C[C@](O)(CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270337 488987518 /nfs/dbraw/zinc/98/75/18/488987518.db2.gz HJSUSCDNHAEJDW-AEFFLSMTSA-N 2 2 355.479 0.670 20 30 FCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329357297 488996867 /nfs/dbraw/zinc/99/68/67/488996867.db2.gz HGWFATIOCSEYCE-GOSISDBHSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329357297 488996870 /nfs/dbraw/zinc/99/68/70/488996870.db2.gz HGWFATIOCSEYCE-GOSISDBHSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000329357297 488996873 /nfs/dbraw/zinc/99/68/73/488996873.db2.gz HGWFATIOCSEYCE-GOSISDBHSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000329357297 488996875 /nfs/dbraw/zinc/99/68/75/488996875.db2.gz HGWFATIOCSEYCE-GOSISDBHSA-N 2 2 360.506 0.795 20 30 FCEDLP C[C@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C[NH+]1CCOCC1 ZINC000329971420 489055924 /nfs/dbraw/zinc/05/59/24/489055924.db2.gz VOSBBUDTYSUDPS-CVEARBPZSA-N 2 2 364.494 0.591 20 30 FCEDLP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330271976 489086930 /nfs/dbraw/zinc/08/69/30/489086930.db2.gz WWTMWTOIQCSIST-HOTGVXAUSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330271976 489086931 /nfs/dbraw/zinc/08/69/31/489086931.db2.gz WWTMWTOIQCSIST-HOTGVXAUSA-N 2 2 354.495 0.806 20 30 FCEDLP CNC(=O)CC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000330485940 489107703 /nfs/dbraw/zinc/10/77/03/489107703.db2.gz COMKOQDHIVSNEG-UHFFFAOYSA-N 2 2 353.511 0.775 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 ZINC000330494216 489108939 /nfs/dbraw/zinc/10/89/39/489108939.db2.gz UQTNLORILYOMGB-AWEZNQCLSA-N 2 2 354.499 0.721 20 30 FCEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000330652028 489128020 /nfs/dbraw/zinc/12/80/20/489128020.db2.gz LCYIPMKCBVAITR-JKSUJKDBSA-N 2 2 369.510 0.152 20 30 FCEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000330652028 489128023 /nfs/dbraw/zinc/12/80/23/489128023.db2.gz LCYIPMKCBVAITR-JKSUJKDBSA-N 2 2 369.510 0.152 20 30 FCEDLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000331217706 489186361 /nfs/dbraw/zinc/18/63/61/489186361.db2.gz QYOCCCAHRQPZHV-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000331217706 489186364 /nfs/dbraw/zinc/18/63/64/489186364.db2.gz QYOCCCAHRQPZHV-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000293989944 489187158 /nfs/dbraw/zinc/18/71/58/489187158.db2.gz NVRCTSOHXOFBMT-VQIMIIECSA-N 2 2 371.485 0.934 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000293989944 489187161 /nfs/dbraw/zinc/18/71/61/489187161.db2.gz NVRCTSOHXOFBMT-VQIMIIECSA-N 2 2 371.485 0.934 20 30 FCEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271590 489228463 /nfs/dbraw/zinc/22/84/63/489228463.db2.gz RWRSZRWAQLWEGW-MRXNPFEDSA-N 2 2 352.479 0.154 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958185 489791448 /nfs/dbraw/zinc/79/14/48/489791448.db2.gz HAVSEIVYGLMMRP-MSOLQXFVSA-N 2 2 360.506 0.600 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958185 489791452 /nfs/dbraw/zinc/79/14/52/489791452.db2.gz HAVSEIVYGLMMRP-MSOLQXFVSA-N 2 2 360.506 0.600 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984858 490039313 /nfs/dbraw/zinc/03/93/13/490039313.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984858 490039317 /nfs/dbraw/zinc/03/93/17/490039317.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420984858 490039319 /nfs/dbraw/zinc/03/93/19/490039319.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 2 2 365.522 0.879 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420984858 490039322 /nfs/dbraw/zinc/03/93/22/490039322.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 2 2 365.522 0.879 20 30 FCEDLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423012337 490517966 /nfs/dbraw/zinc/51/79/66/490517966.db2.gz KJVZPWVXCLUEIQ-CRAIPNDOSA-N 2 2 369.469 0.398 20 30 FCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000548832700 490546393 /nfs/dbraw/zinc/54/63/93/490546393.db2.gz VZAHMFGYNJGZOB-INIZCTEOSA-N 2 2 355.446 0.633 20 30 FCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000548832700 490546399 /nfs/dbraw/zinc/54/63/99/490546399.db2.gz VZAHMFGYNJGZOB-INIZCTEOSA-N 2 2 355.446 0.633 20 30 FCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000527298888 490715694 /nfs/dbraw/zinc/71/56/94/490715694.db2.gz HZUHPLFSJFXDOU-HNNXBMFYSA-N 2 2 350.463 0.096 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000528371527 490791740 /nfs/dbraw/zinc/79/17/40/490791740.db2.gz KMEQNSWKDCLVGP-SFHVURJKSA-N 2 2 372.469 0.538 20 30 FCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528370101 490791792 /nfs/dbraw/zinc/79/17/92/490791792.db2.gz CDGWNYCNBSOSLT-SFHVURJKSA-N 2 2 374.485 0.784 20 30 FCEDLP CN(c1ncccc1C#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518845664 490953704 /nfs/dbraw/zinc/95/37/04/490953704.db2.gz IAPDDFVNFNUJFH-UHFFFAOYSA-N 2 2 356.474 0.628 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000565300000 491368122 /nfs/dbraw/zinc/36/81/22/491368122.db2.gz MAGTUIGQIDRUCH-QGZVFWFLSA-N 2 2 360.458 0.440 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000573436823 491433063 /nfs/dbraw/zinc/43/30/63/491433063.db2.gz JSUYLMSFLMRGER-SFHVURJKSA-N 2 2 369.469 0.400 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)C(C)C ZINC000574708150 491515195 /nfs/dbraw/zinc/51/51/95/491515195.db2.gz KIOBQEJAWXJEHZ-QGZVFWFLSA-N 2 2 350.507 0.965 20 30 FCEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000567966509 491543834 /nfs/dbraw/zinc/54/38/34/491543834.db2.gz MMMQUQQMGWPQMS-KRWDZBQOSA-N 2 2 373.457 0.708 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)CC1 ZINC000578863716 491685807 /nfs/dbraw/zinc/68/58/07/491685807.db2.gz XTAPRTYQGXSGLE-INIZCTEOSA-N 2 2 371.551 0.957 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)CC1 ZINC000578863716 491685808 /nfs/dbraw/zinc/68/58/08/491685808.db2.gz XTAPRTYQGXSGLE-INIZCTEOSA-N 2 2 371.551 0.957 20 30 FCEDLP C(#CC[N@@H+]1CCC[C@H](n2ccnn2)C1)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582901894 491831397 /nfs/dbraw/zinc/83/13/97/491831397.db2.gz RKGPITYTEZALAY-ROUUACIJSA-N 2 2 354.462 0.847 20 30 FCEDLP C(#CC[N@H+]1CCC[C@H](n2ccnn2)C1)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582901894 491831399 /nfs/dbraw/zinc/83/13/99/491831399.db2.gz RKGPITYTEZALAY-ROUUACIJSA-N 2 2 354.462 0.847 20 30 FCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261694191 528808533 /nfs/dbraw/zinc/80/85/33/528808533.db2.gz FKMBGVOFUSGGFN-KRWDZBQOSA-N 2 2 361.450 0.159 20 30 FCEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329327038 546553238 /nfs/dbraw/zinc/55/32/38/546553238.db2.gz UJBMWPHKOVDDCF-HOTGVXAUSA-N 2 2 357.520 0.854 20 30 FCEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879130 664289727 /nfs/dbraw/zinc/28/97/27/664289727.db2.gz NIJCJHSRAKJGIO-IKGGRYGDSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879130 664289729 /nfs/dbraw/zinc/28/97/29/664289729.db2.gz NIJCJHSRAKJGIO-IKGGRYGDSA-N 2 2 351.491 0.879 20 30 FCEDLP C[NH+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC(C)C ZINC000072625095 666810648 /nfs/dbraw/zinc/81/06/48/666810648.db2.gz KTUNTRLCJKEFMQ-UHFFFAOYSA-N 2 2 368.507 0.107 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104366927 1170654619 /nfs/dbraw/zinc/65/46/19/1170654619.db2.gz AEFSYTWVRWPOJL-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCC[NH+]1CCN(c2ccnc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000892315969 1172133483 /nfs/dbraw/zinc/13/34/83/1172133483.db2.gz ULANCWGGOJNKKK-UHFFFAOYSA-N 2 2 352.486 0.767 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565181 1178864379 /nfs/dbraw/zinc/86/43/79/1178864379.db2.gz PYCHPLJDIBPRRV-XUVXKRRUSA-N 2 2 371.481 0.551 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565181 1178864381 /nfs/dbraw/zinc/86/43/81/1178864381.db2.gz PYCHPLJDIBPRRV-XUVXKRRUSA-N 2 2 371.481 0.551 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815094 1182859034 /nfs/dbraw/zinc/85/90/34/1182859034.db2.gz SFKABVDWBVHEPV-QYPXNLQLSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815094 1182859037 /nfs/dbraw/zinc/85/90/37/1182859037.db2.gz SFKABVDWBVHEPV-QYPXNLQLSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815094 1182859038 /nfs/dbraw/zinc/85/90/38/1182859038.db2.gz SFKABVDWBVHEPV-QYPXNLQLSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815094 1182859039 /nfs/dbraw/zinc/85/90/39/1182859039.db2.gz SFKABVDWBVHEPV-QYPXNLQLSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001105330132 1183275121 /nfs/dbraw/zinc/27/51/21/1183275121.db2.gz QCBJUXAPAHBORA-HZPDHXFCSA-N 2 2 355.446 0.864 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1CC ZINC001087607118 1189657194 /nfs/dbraw/zinc/65/71/94/1189657194.db2.gz MKWNTYGIQRLVPR-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H]1CC ZINC001087607118 1189657202 /nfs/dbraw/zinc/65/72/02/1189657202.db2.gz MKWNTYGIQRLVPR-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)[C@@H]1CC ZINC001087607118 1189657210 /nfs/dbraw/zinc/65/72/10/1189657210.db2.gz MKWNTYGIQRLVPR-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)[C@@H]1CC ZINC001087607118 1189657218 /nfs/dbraw/zinc/65/72/18/1189657218.db2.gz MKWNTYGIQRLVPR-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764484 1224133931 /nfs/dbraw/zinc/13/39/31/1224133931.db2.gz VZMIVQQNVVKDTA-LJQANCHMSA-N 2 2 362.474 0.178 20 30 FCEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764484 1224133935 /nfs/dbraw/zinc/13/39/35/1224133935.db2.gz VZMIVQQNVVKDTA-LJQANCHMSA-N 2 2 362.474 0.178 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2CCC23C[NH2+]C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218245140 1224149519 /nfs/dbraw/zinc/14/95/19/1224149519.db2.gz WBGLNAROTVXDHZ-GJZGRUSLSA-N 2 2 373.409 0.294 20 30 FCEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524577 1224167350 /nfs/dbraw/zinc/16/73/50/1224167350.db2.gz ZMPXMAJZCSKWAH-RCCFBDPRSA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524577 1224167353 /nfs/dbraw/zinc/16/73/53/1224167353.db2.gz ZMPXMAJZCSKWAH-RCCFBDPRSA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524577 1224167357 /nfs/dbraw/zinc/16/73/57/1224167357.db2.gz ZMPXMAJZCSKWAH-RCCFBDPRSA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524577 1224167359 /nfs/dbraw/zinc/16/73/59/1224167359.db2.gz ZMPXMAJZCSKWAH-RCCFBDPRSA-N 2 2 367.490 0.210 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083535309 1194225655 /nfs/dbraw/zinc/22/56/55/1194225655.db2.gz KQERHGYPZBLHFY-HOJAQTOUSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083535309 1194225658 /nfs/dbraw/zinc/22/56/58/1194225658.db2.gz KQERHGYPZBLHFY-HOJAQTOUSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083535309 1194225662 /nfs/dbraw/zinc/22/56/62/1194225662.db2.gz KQERHGYPZBLHFY-HOJAQTOUSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083535309 1194225664 /nfs/dbraw/zinc/22/56/64/1194225664.db2.gz KQERHGYPZBLHFY-HOJAQTOUSA-N 2 2 370.497 0.512 20 30 FCEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c1 ZINC001083601834 1195664054 /nfs/dbraw/zinc/66/40/54/1195664054.db2.gz PZDAOLUPMNJPSF-MSOLQXFVSA-N 2 2 354.454 0.848 20 30 FCEDLP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c1 ZINC001083601834 1195664059 /nfs/dbraw/zinc/66/40/59/1195664059.db2.gz PZDAOLUPMNJPSF-MSOLQXFVSA-N 2 2 354.454 0.848 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342846 1197870864 /nfs/dbraw/zinc/87/08/64/1197870864.db2.gz GFNFQHMEIBDROP-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443233 1200288659 /nfs/dbraw/zinc/28/86/59/1200288659.db2.gz ZFTIKYFRXWOMAV-PMPSAXMXSA-N 2 2 359.474 0.224 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443233 1200288662 /nfs/dbraw/zinc/28/86/62/1200288662.db2.gz ZFTIKYFRXWOMAV-PMPSAXMXSA-N 2 2 359.474 0.224 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109472892 1200315676 /nfs/dbraw/zinc/31/56/76/1200315676.db2.gz LBUGOUKTFUCQJV-JLSDUUJJSA-N 2 2 365.437 0.727 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109472892 1200315684 /nfs/dbraw/zinc/31/56/84/1200315684.db2.gz LBUGOUKTFUCQJV-JLSDUUJJSA-N 2 2 365.437 0.727 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565589 1200392997 /nfs/dbraw/zinc/39/29/97/1200392997.db2.gz UVMOKVVKZVLHHW-IKGGRYGDSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565589 1200393006 /nfs/dbraw/zinc/39/30/06/1200393006.db2.gz UVMOKVVKZVLHHW-IKGGRYGDSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841686 1200556002 /nfs/dbraw/zinc/55/60/02/1200556002.db2.gz VMMBINMXPZGZMI-QYZOEREBSA-N 2 2 368.481 0.833 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841686 1200556009 /nfs/dbraw/zinc/55/60/09/1200556009.db2.gz VMMBINMXPZGZMI-QYZOEREBSA-N 2 2 368.481 0.833 20 30 FCEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800138 1224619186 /nfs/dbraw/zinc/61/91/86/1224619186.db2.gz HXSHWOYDNPQFNA-SQNIBIBYSA-N 2 2 365.522 0.945 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800138 1224619193 /nfs/dbraw/zinc/61/91/93/1224619193.db2.gz HXSHWOYDNPQFNA-SQNIBIBYSA-N 2 2 365.522 0.945 20 30 FCEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219799901 1224619914 /nfs/dbraw/zinc/61/99/14/1224619914.db2.gz BTNBKNAVYXYKFG-SQNIBIBYSA-N 2 2 363.506 0.721 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219799901 1224619919 /nfs/dbraw/zinc/61/99/19/1224619919.db2.gz BTNBKNAVYXYKFG-SQNIBIBYSA-N 2 2 363.506 0.721 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570474 1200802881 /nfs/dbraw/zinc/80/28/81/1200802881.db2.gz ZALZTQSTVOMFJN-GUXCAODWSA-N 2 2 371.485 0.617 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571817 1200803764 /nfs/dbraw/zinc/80/37/64/1200803764.db2.gz ORPNWHJUDFHPJF-JXFKEZNVSA-N 2 2 371.485 0.320 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590707 1200830082 /nfs/dbraw/zinc/83/00/82/1200830082.db2.gz MAGZYGICSAOODJ-GJYPPUQNSA-N 2 2 357.458 0.239 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129916994 1201426986 /nfs/dbraw/zinc/42/69/86/1201426986.db2.gz IYJXCNLHTRKYBX-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012090 1201471257 /nfs/dbraw/zinc/47/12/57/1201471257.db2.gz OFRVTYIHUVPRPE-ANQUJSFKSA-N 2 2 353.430 0.180 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022840 1201475170 /nfs/dbraw/zinc/47/51/70/1201475170.db2.gz ORYINPVCRBLVPY-BBWFWOEESA-N 2 2 371.445 0.117 20 30 FCEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109794 1201503578 /nfs/dbraw/zinc/50/35/78/1201503578.db2.gz HTUBGZNQXQFXQM-SJORKVTESA-N 2 2 357.462 0.952 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130249226 1201568969 /nfs/dbraw/zinc/56/89/69/1201568969.db2.gz QMIIBUBBUIIPKN-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130249226 1201568974 /nfs/dbraw/zinc/56/89/74/1201568974.db2.gz QMIIBUBBUIIPKN-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130722070 1202767009 /nfs/dbraw/zinc/76/70/09/1202767009.db2.gz YZWHEWNKWRDELL-FUHWJXTLSA-N 2 2 354.458 0.694 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@H+]3C)n2)O1 ZINC001130790035 1202797738 /nfs/dbraw/zinc/79/77/38/1202797738.db2.gz DWUHWYPPSPTODD-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)n2)O1 ZINC001130790035 1202797743 /nfs/dbraw/zinc/79/77/43/1202797743.db2.gz DWUHWYPPSPTODD-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3c[nH+]cc3C)n2)O1 ZINC001130792527 1202799924 /nfs/dbraw/zinc/79/99/24/1202799924.db2.gz ITAGBZZHPVBKTN-LSDHHAIUSA-N 2 2 371.445 0.459 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817557 1202808413 /nfs/dbraw/zinc/80/84/13/1202808413.db2.gz SKWQLBALMUHFDU-SOUVJXGZSA-N 2 2 360.462 0.206 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817557 1202808415 /nfs/dbraw/zinc/80/84/15/1202808415.db2.gz SKWQLBALMUHFDU-SOUVJXGZSA-N 2 2 360.462 0.206 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817590 1202808781 /nfs/dbraw/zinc/80/87/81/1202808781.db2.gz UYZPLWNFCVKTAL-LSDHHAIUSA-N 2 2 360.462 0.350 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCn3cc[nH+]c3)n2)O1 ZINC001130820598 1202809856 /nfs/dbraw/zinc/80/98/56/1202809856.db2.gz ZQKURLGBCMGSOE-LSDHHAIUSA-N 2 2 371.445 0.541 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115017 1204630636 /nfs/dbraw/zinc/63/06/36/1204630636.db2.gz MCTYGGQDBYMRFU-SQNIBIBYSA-N 2 2 360.502 0.723 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115017 1204630637 /nfs/dbraw/zinc/63/06/37/1204630637.db2.gz MCTYGGQDBYMRFU-SQNIBIBYSA-N 2 2 360.502 0.723 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984758 1204879397 /nfs/dbraw/zinc/87/93/97/1204879397.db2.gz BXWBSHDIFUOQBY-HYVNUMGLSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011211 1204898204 /nfs/dbraw/zinc/89/82/04/1204898204.db2.gz KHWUVXSCRWEMTM-OTWHNJEPSA-N 2 2 366.469 0.635 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092198972 1205196363 /nfs/dbraw/zinc/19/63/63/1205196363.db2.gz FCKQBRPFZUEQPI-MDYRTPRTSA-N 2 2 371.485 0.530 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092198972 1205196370 /nfs/dbraw/zinc/19/63/70/1205196370.db2.gz FCKQBRPFZUEQPI-MDYRTPRTSA-N 2 2 371.485 0.530 20 30 FCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375049 1205277237 /nfs/dbraw/zinc/27/72/37/1205277237.db2.gz HUVKFDWTXQNCFU-OWCLPIDISA-N 2 2 357.458 0.197 20 30 FCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375049 1205277242 /nfs/dbraw/zinc/27/72/42/1205277242.db2.gz HUVKFDWTXQNCFU-OWCLPIDISA-N 2 2 357.458 0.197 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001110146371 1206091071 /nfs/dbraw/zinc/09/10/71/1206091071.db2.gz XMANRXDXKKWNMO-NQYYFHDYSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001110146371 1206091073 /nfs/dbraw/zinc/09/10/73/1206091073.db2.gz XMANRXDXKKWNMO-NQYYFHDYSA-N 2 2 374.529 0.968 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093951468 1206157360 /nfs/dbraw/zinc/15/73/60/1206157360.db2.gz KNCPZTBPTNPCGZ-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1=O ZINC001094189578 1206205128 /nfs/dbraw/zinc/20/51/28/1206205128.db2.gz BOHLSGYTKBQQCH-BMFZPTHFSA-N 2 2 359.474 0.732 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181787698 1206415036 /nfs/dbraw/zinc/41/50/36/1206415036.db2.gz ZYKXSAFBXXMPEF-DEXNDLTESA-N 2 2 359.474 0.890 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181787698 1206415038 /nfs/dbraw/zinc/41/50/38/1206415038.db2.gz ZYKXSAFBXXMPEF-DEXNDLTESA-N 2 2 359.474 0.890 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386229 1206509417 /nfs/dbraw/zinc/50/94/17/1206509417.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386229 1206509418 /nfs/dbraw/zinc/50/94/18/1206509418.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386229 1206509419 /nfs/dbraw/zinc/50/94/19/1206509419.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386229 1206509420 /nfs/dbraw/zinc/50/94/20/1206509420.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 2 361.490 0.564 20 30 FCEDLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220642850 1224981903 /nfs/dbraw/zinc/98/19/03/1224981903.db2.gz LYDMJXCABKQMSI-UXHICEINSA-N 2 2 371.481 0.310 20 30 FCEDLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220642850 1224981915 /nfs/dbraw/zinc/98/19/15/1224981915.db2.gz LYDMJXCABKQMSI-UXHICEINSA-N 2 2 371.481 0.310 20 30 FCEDLP N#CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643537 1224983747 /nfs/dbraw/zinc/98/37/47/1224983747.db2.gz JQSZBJIQAXCRHF-HLIPFELVSA-N 3 2 353.470 0.883 20 30 FCEDLP N#CC1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643537 1224983755 /nfs/dbraw/zinc/98/37/55/1224983755.db2.gz JQSZBJIQAXCRHF-HLIPFELVSA-N 2 2 353.470 0.883 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568249 1207464248 /nfs/dbraw/zinc/46/42/48/1207464248.db2.gz HMDOUQUQJAOEEZ-XJKSGUPXSA-N 2 2 352.398 0.120 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568249 1207464250 /nfs/dbraw/zinc/46/42/50/1207464250.db2.gz HMDOUQUQJAOEEZ-XJKSGUPXSA-N 2 2 352.398 0.120 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681974 1225010258 /nfs/dbraw/zinc/01/02/58/1225010258.db2.gz SQAJZQXCAKYGMQ-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681974 1225010263 /nfs/dbraw/zinc/01/02/63/1225010263.db2.gz SQAJZQXCAKYGMQ-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220681974 1225010270 /nfs/dbraw/zinc/01/02/70/1225010270.db2.gz SQAJZQXCAKYGMQ-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220681974 1225010279 /nfs/dbraw/zinc/01/02/79/1225010279.db2.gz SQAJZQXCAKYGMQ-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001193849996 1207894321 /nfs/dbraw/zinc/89/43/21/1207894321.db2.gz UCVLURQHUVKWEX-HSALFYBXSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001193849996 1207894322 /nfs/dbraw/zinc/89/43/22/1207894322.db2.gz UCVLURQHUVKWEX-HSALFYBXSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001193849996 1207894323 /nfs/dbraw/zinc/89/43/23/1207894323.db2.gz UCVLURQHUVKWEX-HSALFYBXSA-N 2 2 371.481 0.462 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001193849996 1207894325 /nfs/dbraw/zinc/89/43/25/1207894325.db2.gz UCVLURQHUVKWEX-HSALFYBXSA-N 2 2 371.481 0.462 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691545 1208034554 /nfs/dbraw/zinc/03/45/54/1208034554.db2.gz NAOGNKOXYAMNLW-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691545 1208034558 /nfs/dbraw/zinc/03/45/58/1208034558.db2.gz NAOGNKOXYAMNLW-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956418 1208209036 /nfs/dbraw/zinc/20/90/36/1208209036.db2.gz ZNZOHVZFCOISAV-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956418 1208209038 /nfs/dbraw/zinc/20/90/38/1208209038.db2.gz ZNZOHVZFCOISAV-IAGOWNOFSA-N 2 2 366.506 0.080 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1C#N ZINC001199104925 1208319578 /nfs/dbraw/zinc/31/95/78/1208319578.db2.gz WSIZCFFSQJMPTD-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1C#N ZINC001199104925 1208319583 /nfs/dbraw/zinc/31/95/83/1208319583.db2.gz WSIZCFFSQJMPTD-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1C#N ZINC001199104925 1208319585 /nfs/dbraw/zinc/31/95/85/1208319585.db2.gz WSIZCFFSQJMPTD-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1C#N ZINC001199104925 1208319589 /nfs/dbraw/zinc/31/95/89/1208319589.db2.gz WSIZCFFSQJMPTD-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220822310 1225089400 /nfs/dbraw/zinc/08/94/00/1225089400.db2.gz SLVPXFRWXVKPND-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220822310 1225089408 /nfs/dbraw/zinc/08/94/08/1225089408.db2.gz SLVPXFRWXVKPND-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220822310 1225089414 /nfs/dbraw/zinc/08/94/14/1225089414.db2.gz SLVPXFRWXVKPND-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220822310 1225089418 /nfs/dbraw/zinc/08/94/18/1225089418.db2.gz SLVPXFRWXVKPND-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437343 1209549325 /nfs/dbraw/zinc/54/93/25/1209549325.db2.gz AHZYJBQBRUBYJS-IYBDPMFKSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437343 1209549329 /nfs/dbraw/zinc/54/93/29/1209549329.db2.gz AHZYJBQBRUBYJS-IYBDPMFKSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437343 1209549336 /nfs/dbraw/zinc/54/93/36/1209549336.db2.gz AHZYJBQBRUBYJS-IYBDPMFKSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437343 1209549343 /nfs/dbraw/zinc/54/93/43/1209549343.db2.gz AHZYJBQBRUBYJS-IYBDPMFKSA-N 2 2 362.430 0.043 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001110661586 1209583495 /nfs/dbraw/zinc/58/34/95/1209583495.db2.gz ZJTXWTIEEQSOBE-VQHPVUNQSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001110661586 1209583498 /nfs/dbraw/zinc/58/34/98/1209583498.db2.gz ZJTXWTIEEQSOBE-VQHPVUNQSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110661586 1209583500 /nfs/dbraw/zinc/58/35/00/1209583500.db2.gz ZJTXWTIEEQSOBE-VQHPVUNQSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110661586 1209583503 /nfs/dbraw/zinc/58/35/03/1209583503.db2.gz ZJTXWTIEEQSOBE-VQHPVUNQSA-N 2 2 361.490 0.611 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709851 1209713690 /nfs/dbraw/zinc/71/36/90/1209713690.db2.gz ORCIJPYPCCWKOI-ZACQAIPSSA-N 2 2 358.486 0.333 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709851 1209713692 /nfs/dbraw/zinc/71/36/92/1209713692.db2.gz ORCIJPYPCCWKOI-ZACQAIPSSA-N 2 2 358.486 0.333 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771227 1209817749 /nfs/dbraw/zinc/81/77/49/1209817749.db2.gz NFCWDVDFPBBINZ-NZPGVSJUSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771227 1209817752 /nfs/dbraw/zinc/81/77/52/1209817752.db2.gz NFCWDVDFPBBINZ-NZPGVSJUSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857736 1210998939 /nfs/dbraw/zinc/99/89/39/1210998939.db2.gz OZZFSPTWYWQGQT-KURKYZTESA-N 2 2 374.529 0.969 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857736 1210998941 /nfs/dbraw/zinc/99/89/41/1210998941.db2.gz OZZFSPTWYWQGQT-KURKYZTESA-N 2 2 374.529 0.969 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230949 1211935815 /nfs/dbraw/zinc/93/58/15/1211935815.db2.gz ZUQCRWJRFOGBSC-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230949 1211935818 /nfs/dbraw/zinc/93/58/18/1211935818.db2.gz ZUQCRWJRFOGBSC-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230949 1211935820 /nfs/dbraw/zinc/93/58/20/1211935820.db2.gz ZUQCRWJRFOGBSC-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP 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FCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616510 1225400401 /nfs/dbraw/zinc/40/04/01/1225400401.db2.gz NYOJUDGRCRKFEY-KURKYZTESA-N 2 2 361.490 0.549 20 30 FCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616510 1225400404 /nfs/dbraw/zinc/40/04/04/1225400404.db2.gz NYOJUDGRCRKFEY-KURKYZTESA-N 2 2 361.490 0.549 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016299 1225576807 /nfs/dbraw/zinc/57/68/07/1225576807.db2.gz ATJJFEREOZDBNA-IAGOWNOFSA-N 2 2 361.490 0.377 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016299 1225576814 /nfs/dbraw/zinc/57/68/14/1225576814.db2.gz ATJJFEREOZDBNA-IAGOWNOFSA-N 2 2 361.490 0.377 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027090 1225580951 /nfs/dbraw/zinc/58/09/51/1225580951.db2.gz KRGNOTWFYCAATA-QZTJIDSGSA-N 2 2 360.502 0.535 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027090 1225580955 /nfs/dbraw/zinc/58/09/55/1225580955.db2.gz KRGNOTWFYCAATA-QZTJIDSGSA-N 2 2 360.502 0.535 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049511 1225591093 /nfs/dbraw/zinc/59/10/93/1225591093.db2.gz DMBLLTMIIYBIGL-IAGOWNOFSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049511 1225591097 /nfs/dbraw/zinc/59/10/97/1225591097.db2.gz DMBLLTMIIYBIGL-IAGOWNOFSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049511 1225591102 /nfs/dbraw/zinc/59/11/02/1225591102.db2.gz DMBLLTMIIYBIGL-IAGOWNOFSA-N 2 2 363.506 0.621 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810816 1225654383 /nfs/dbraw/zinc/65/43/83/1225654383.db2.gz YGSBLCSGVGUMMQ-ZACQAIPSSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810816 1225654386 /nfs/dbraw/zinc/65/43/86/1225654386.db2.gz YGSBLCSGVGUMMQ-ZACQAIPSSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810816 1225654391 /nfs/dbraw/zinc/65/43/91/1225654391.db2.gz YGSBLCSGVGUMMQ-ZACQAIPSSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810816 1225654392 /nfs/dbraw/zinc/65/43/92/1225654392.db2.gz YGSBLCSGVGUMMQ-ZACQAIPSSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001052086755 1216494653 /nfs/dbraw/zinc/49/46/53/1216494653.db2.gz HMJXVKRGKHQXKX-KZNAEPCWSA-N 2 2 355.486 0.765 20 30 FCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583632 1216574320 /nfs/dbraw/zinc/57/43/20/1216574320.db2.gz ITIGXRHDLTVYAR-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583632 1216574323 /nfs/dbraw/zinc/57/43/23/1216574323.db2.gz ITIGXRHDLTVYAR-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962440 1216869412 /nfs/dbraw/zinc/86/94/12/1216869412.db2.gz WKWBOANVHIWOSA-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962440 1216869413 /nfs/dbraw/zinc/86/94/13/1216869413.db2.gz WKWBOANVHIWOSA-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006138 1216892993 /nfs/dbraw/zinc/89/29/93/1216892993.db2.gz FLJOHGFTNISXEX-KURKYZTESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006138 1216892995 /nfs/dbraw/zinc/89/29/95/1216892995.db2.gz FLJOHGFTNISXEX-KURKYZTESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006138 1216892996 /nfs/dbraw/zinc/89/29/96/1216892996.db2.gz FLJOHGFTNISXEX-KURKYZTESA-N 2 2 358.490 0.765 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006138 1216892999 /nfs/dbraw/zinc/89/29/99/1216892999.db2.gz FLJOHGFTNISXEX-KURKYZTESA-N 2 2 358.490 0.765 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070028877 1216907900 /nfs/dbraw/zinc/90/79/00/1216907900.db2.gz IXNLXXGGOHXSLX-OIISXLGYSA-N 2 2 355.446 0.573 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070028877 1216907903 /nfs/dbraw/zinc/90/79/03/1216907903.db2.gz IXNLXXGGOHXSLX-OIISXLGYSA-N 2 2 355.446 0.573 20 30 FCEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606759 1218500058 /nfs/dbraw/zinc/50/00/58/1218500058.db2.gz DGDJUPJDYFQWRY-HCXYKTFWSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606759 1218500068 /nfs/dbraw/zinc/50/00/68/1218500068.db2.gz DGDJUPJDYFQWRY-HCXYKTFWSA-N 2 2 361.486 0.565 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001691744708 1218619949 /nfs/dbraw/zinc/61/99/49/1218619949.db2.gz BYGSKNVPIBOUMV-WBVHZDCISA-N 2 2 361.490 0.966 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001691744708 1218619958 /nfs/dbraw/zinc/61/99/58/1218619958.db2.gz BYGSKNVPIBOUMV-WBVHZDCISA-N 2 2 361.490 0.966 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(C)c1 ZINC001097247975 1218740254 /nfs/dbraw/zinc/74/02/54/1218740254.db2.gz PQOKODQLBSCMIB-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cnn(C)c1 ZINC001097247975 1218740261 /nfs/dbraw/zinc/74/02/61/1218740261.db2.gz PQOKODQLBSCMIB-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(C)c1 ZINC001097247975 1218740270 /nfs/dbraw/zinc/74/02/70/1218740270.db2.gz PQOKODQLBSCMIB-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(C)c1 ZINC001097247975 1218740276 /nfs/dbraw/zinc/74/02/76/1218740276.db2.gz PQOKODQLBSCMIB-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227176066 1225865367 /nfs/dbraw/zinc/86/53/67/1225865367.db2.gz RYKBHBRFVHWGKI-RRFJBIMHSA-N 2 2 358.446 0.102 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070219692 1219301886 /nfs/dbraw/zinc/30/18/86/1219301886.db2.gz DZZGALYSRSLAPD-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001070425913 1219411073 /nfs/dbraw/zinc/41/10/73/1219411073.db2.gz JOHHPDDJBGPQRQ-NUEKZKHPSA-N 2 2 352.442 0.986 20 30 FCEDLP 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C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003366897 1252876419 /nfs/dbraw/zinc/87/64/19/1252876419.db2.gz YWFSAUHTGFWLAF-ZACQAIPSSA-N 2 2 369.469 0.546 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079136903 1255450243 /nfs/dbraw/zinc/45/02/43/1255450243.db2.gz JEPPWYGAMDOSOK-VBSBHUPXSA-N 2 2 373.497 0.965 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079136903 1255450247 /nfs/dbraw/zinc/45/02/47/1255450247.db2.gz JEPPWYGAMDOSOK-VBSBHUPXSA-N 2 2 373.497 0.965 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136903 1255450253 /nfs/dbraw/zinc/45/02/53/1255450253.db2.gz JEPPWYGAMDOSOK-VBSBHUPXSA-N 2 2 373.497 0.965 20 30 FCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136903 1255450255 /nfs/dbraw/zinc/45/02/55/1255450255.db2.gz JEPPWYGAMDOSOK-VBSBHUPXSA-N 2 2 373.497 0.965 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083961315 1257752141 /nfs/dbraw/zinc/75/21/41/1257752141.db2.gz MBACWAXUYKQHEF-MJGOQNOKSA-N 2 2 365.437 0.994 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083961315 1257752147 /nfs/dbraw/zinc/75/21/47/1257752147.db2.gz MBACWAXUYKQHEF-MJGOQNOKSA-N 2 2 365.437 0.994 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250476 1257989274 /nfs/dbraw/zinc/98/92/74/1257989274.db2.gz IDNJQJOOUKYNKM-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250476 1257989280 /nfs/dbraw/zinc/98/92/80/1257989280.db2.gz IDNJQJOOUKYNKM-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250476 1257989284 /nfs/dbraw/zinc/98/92/84/1257989284.db2.gz IDNJQJOOUKYNKM-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250476 1257989289 /nfs/dbraw/zinc/98/92/89/1257989289.db2.gz IDNJQJOOUKYNKM-GUDVDZBRSA-N 2 2 354.454 0.922 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC1 ZINC001088212025 1258734431 /nfs/dbraw/zinc/73/44/31/1258734431.db2.gz LAVGNMADVRBSRN-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC1 ZINC001088212025 1258734435 /nfs/dbraw/zinc/73/44/35/1258734435.db2.gz LAVGNMADVRBSRN-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848376 1258867860 /nfs/dbraw/zinc/86/78/60/1258867860.db2.gz ZNMLPPVXRXBPJH-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848376 1258867870 /nfs/dbraw/zinc/86/78/70/1258867870.db2.gz ZNMLPPVXRXBPJH-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078940 1259029859 /nfs/dbraw/zinc/02/98/59/1259029859.db2.gz PEQPITQJMQCWBQ-IAGOWNOFSA-N 2 2 359.474 0.768 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129081192 1259306979 /nfs/dbraw/zinc/30/69/79/1259306979.db2.gz VRQZPPYUAAZWGD-MSOLQXFVSA-N 2 2 367.457 0.564 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129081192 1259306990 /nfs/dbraw/zinc/30/69/90/1259306990.db2.gz VRQZPPYUAAZWGD-MSOLQXFVSA-N 2 2 367.457 0.564 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680112 1259428068 /nfs/dbraw/zinc/42/80/68/1259428068.db2.gz HEDMKKBHRAGUON-ZWKOTPCHSA-N 2 2 367.453 0.839 20 30 FCEDLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215716 1260626749 /nfs/dbraw/zinc/62/67/49/1260626749.db2.gz AABZCLAJSZKVMC-CGTJXYLNSA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215716 1260626754 /nfs/dbraw/zinc/62/67/54/1260626754.db2.gz AABZCLAJSZKVMC-CGTJXYLNSA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215716 1260626762 /nfs/dbraw/zinc/62/67/62/1260626762.db2.gz AABZCLAJSZKVMC-CGTJXYLNSA-N 2 2 357.458 0.260 20 30 FCEDLP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cc1C#N ZINC001273215716 1260626769 /nfs/dbraw/zinc/62/67/69/1260626769.db2.gz AABZCLAJSZKVMC-CGTJXYLNSA-N 2 2 357.458 0.260 20 30 FCEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001313440806 1263318525 /nfs/dbraw/zinc/31/85/25/1263318525.db2.gz CROVYNNAQNQYKX-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001313440806 1263318536 /nfs/dbraw/zinc/31/85/36/1263318536.db2.gz CROVYNNAQNQYKX-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCN(CC#N)CC3)CC2)CC1 ZINC001318322608 1263563052 /nfs/dbraw/zinc/56/30/52/1263563052.db2.gz BJXYHJSUQSIPSN-UHFFFAOYSA-N 2 2 362.522 0.832 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324883276 1264727481 /nfs/dbraw/zinc/72/74/81/1264727481.db2.gz VPSVHQXNLSOXHZ-CRAIPNDOSA-N 2 2 365.453 0.077 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324883276 1264727488 /nfs/dbraw/zinc/72/74/88/1264727488.db2.gz VPSVHQXNLSOXHZ-CRAIPNDOSA-N 2 2 365.453 0.077 20 30 FCEDLP C#CCC[NH+]1CCN(C(=O)/C=C(/C)C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC001527631678 1266909130 /nfs/dbraw/zinc/90/91/30/1266909130.db2.gz MOALLDORSJFVAS-HNENSFHCSA-N 2 2 370.497 0.268 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2C[NH2+]C2)CC1 ZINC001574673261 1271478807 /nfs/dbraw/zinc/47/88/07/1271478807.db2.gz JWEIIAJBCTVDAG-UHFFFAOYSA-N 2 2 366.469 0.928 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]Cc2c[nH]nn2)C3)CC1 ZINC001574966478 1271686490 /nfs/dbraw/zinc/68/64/90/1271686490.db2.gz DBRFFPKAMRMBMS-UHFFFAOYSA-N 2 2 356.474 0.667 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]Cc2cn[nH]n2)C3)CC1 ZINC001574966478 1271686502 /nfs/dbraw/zinc/68/65/02/1271686502.db2.gz DBRFFPKAMRMBMS-UHFFFAOYSA-N 2 2 356.474 0.667 20 30 FCEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001575215940 1271795035 /nfs/dbraw/zinc/79/50/35/1271795035.db2.gz MRWHVKHNGVNENF-JSGCOSHPSA-N 2 2 351.451 0.203 20 30 FCEDLP C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001576069261 1272827853 /nfs/dbraw/zinc/82/78/53/1272827853.db2.gz AUUIPMNXYQIQIB-YHUYYLMFSA-N 2 2 361.494 0.942 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351331 1282447966 /nfs/dbraw/zinc/44/79/66/1282447966.db2.gz OQGWDCLTYKZNBN-INIZCTEOSA-N 2 2 368.445 0.302 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351331 1282447974 /nfs/dbraw/zinc/44/79/74/1282447974.db2.gz OQGWDCLTYKZNBN-INIZCTEOSA-N 2 2 368.445 0.302 20 30 FCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)CC[C@@H]1c1ccccc1 ZINC001691932908 1289345130 /nfs/dbraw/zinc/34/51/30/1289345130.db2.gz XKYNVDSDLAFIHF-QZTJIDSGSA-N 2 2 371.485 0.552 20 30 FCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)CC[C@@H]1c1ccccc1 ZINC001691932908 1289345139 /nfs/dbraw/zinc/34/51/39/1289345139.db2.gz XKYNVDSDLAFIHF-QZTJIDSGSA-N 2 2 371.485 0.552 20 30 FCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001698968400 1289539878 /nfs/dbraw/zinc/53/98/78/1289539878.db2.gz WBPUHPUAEPMOKE-SQNIBIBYSA-N 2 2 351.491 0.620 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)N(CC)CCC#N ZINC001689199933 1294663386 /nfs/dbraw/zinc/66/33/86/1294663386.db2.gz NTZXVTBMUPWHSF-JKSUJKDBSA-N 2 2 360.462 0.614 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)N(CC)CCC#N ZINC001689199933 1294663395 /nfs/dbraw/zinc/66/33/95/1294663395.db2.gz NTZXVTBMUPWHSF-JKSUJKDBSA-N 2 2 360.462 0.614 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274383 840854296 /nfs/dbraw/zinc/85/42/96/840854296.db2.gz JMFBVIXYPZXTJA-RRQGHBQHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274383 840854308 /nfs/dbraw/zinc/85/43/08/840854308.db2.gz JMFBVIXYPZXTJA-RRQGHBQHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274383 840854319 /nfs/dbraw/zinc/85/43/19/840854319.db2.gz JMFBVIXYPZXTJA-RRQGHBQHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274383 840854329 /nfs/dbraw/zinc/85/43/29/840854329.db2.gz JMFBVIXYPZXTJA-RRQGHBQHSA-N 2 2 360.483 0.983 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C\Cl)C[C@@H]32)CC1 ZINC001083283552 840866679 /nfs/dbraw/zinc/86/66/79/840866679.db2.gz IBNWSVIKGPUGLW-AGCMFXJMSA-N 2 2 351.878 0.996 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C\Cl)C[C@@H]32)CC1 ZINC001083283552 840866687 /nfs/dbraw/zinc/86/66/87/840866687.db2.gz IBNWSVIKGPUGLW-AGCMFXJMSA-N 2 2 351.878 0.996 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972862 842200187 /nfs/dbraw/zinc/20/01/87/842200187.db2.gz DJAXXSOFBCWYQT-XHSDSOJGSA-N 2 2 367.881 0.387 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972862 842200199 /nfs/dbraw/zinc/20/01/99/842200199.db2.gz DJAXXSOFBCWYQT-XHSDSOJGSA-N 2 2 367.881 0.387 20 30 FCEDLP C=CC[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144015677 849506587 /nfs/dbraw/zinc/50/65/87/849506587.db2.gz ZBLLOVUQWXSNFE-INIZCTEOSA-N 2 2 350.507 0.895 20 30 FCEDLP C=CC[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144015677 849506594 /nfs/dbraw/zinc/50/65/94/849506594.db2.gz ZBLLOVUQWXSNFE-INIZCTEOSA-N 2 2 350.507 0.895 20 30 FCEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836731 862124420 /nfs/dbraw/zinc/12/44/20/862124420.db2.gz QHDGHYKHADBQMY-WMZOPIPTSA-N 2 2 352.479 0.296 20 30 FCEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836731 862124425 /nfs/dbraw/zinc/12/44/25/862124425.db2.gz QHDGHYKHADBQMY-WMZOPIPTSA-N 2 2 352.479 0.296 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799435 853858870 /nfs/dbraw/zinc/85/88/70/853858870.db2.gz BLPRLKDLVAHWBS-ZACQAIPSSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799435 853858875 /nfs/dbraw/zinc/85/88/75/853858875.db2.gz BLPRLKDLVAHWBS-ZACQAIPSSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799435 853858881 /nfs/dbraw/zinc/85/88/81/853858881.db2.gz BLPRLKDLVAHWBS-ZACQAIPSSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799435 853858888 /nfs/dbraw/zinc/85/88/88/853858888.db2.gz BLPRLKDLVAHWBS-ZACQAIPSSA-N 2 2 350.507 0.846 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1OC ZINC001212419824 854470609 /nfs/dbraw/zinc/47/06/09/854470609.db2.gz DXPPWNHNZMOGIW-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1OC ZINC001212419824 854470612 /nfs/dbraw/zinc/47/06/12/854470612.db2.gz DXPPWNHNZMOGIW-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCCC)C[C@H]1OC ZINC001212419824 854470615 /nfs/dbraw/zinc/47/06/15/854470615.db2.gz DXPPWNHNZMOGIW-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCCC)C[C@H]1OC ZINC001212419824 854470617 /nfs/dbraw/zinc/47/06/17/854470617.db2.gz DXPPWNHNZMOGIW-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322183 854572765 /nfs/dbraw/zinc/57/27/65/854572765.db2.gz CZFFDEDDBMFBDO-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322183 854572769 /nfs/dbraw/zinc/57/27/69/854572769.db2.gz CZFFDEDDBMFBDO-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322183 854572773 /nfs/dbraw/zinc/57/27/73/854572773.db2.gz CZFFDEDDBMFBDO-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322183 854572777 /nfs/dbraw/zinc/57/27/77/854572777.db2.gz CZFFDEDDBMFBDO-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000188953405 209242750 /nfs/dbraw/zinc/24/27/50/209242750.db2.gz PKLWFXZSAJYGGC-UHFFFAOYSA-N 2 2 357.458 0.981 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000188953405 209242753 /nfs/dbraw/zinc/24/27/53/209242753.db2.gz PKLWFXZSAJYGGC-UHFFFAOYSA-N 2 2 357.458 0.981 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000419860324 246330567 /nfs/dbraw/zinc/33/05/67/246330567.db2.gz ALFAZKWICUBJNX-ROUUACIJSA-N 2 2 369.469 0.589 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423635826 247085421 /nfs/dbraw/zinc/08/54/21/247085421.db2.gz RTQLPHOALGYIES-HOTGVXAUSA-N 2 2 369.469 0.411 20 30 FCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262332622 229303437 /nfs/dbraw/zinc/30/34/37/229303437.db2.gz BGPIEPUOTOTMPY-IOASZLSFSA-N 2 2 354.520 0.601 20 30 FCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262332622 229303442 /nfs/dbraw/zinc/30/34/42/229303442.db2.gz BGPIEPUOTOTMPY-IOASZLSFSA-N 2 2 354.520 0.601 20 30 FCEDLP NC(=[NH+]OCc1nc(N)nc(N)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000263739881 229318757 /nfs/dbraw/zinc/31/87/57/229318757.db2.gz RFPPXKJLARCWGE-UHFFFAOYSA-N 2 2 356.434 0.859 20 30 FCEDLP C[NH+](C)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000267477443 229381058 /nfs/dbraw/zinc/38/10/58/229381058.db2.gz ZOLUHTGOSZMTBV-UHFFFAOYSA-N 3 2 359.518 0.712 20 30 FCEDLP COCC[N@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305025830 488894009 /nfs/dbraw/zinc/89/40/09/488894009.db2.gz PJRGAQCVLGWEBO-AWEZNQCLSA-N 2 2 355.483 0.445 20 30 FCEDLP COCC[N@@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305025830 488894012 /nfs/dbraw/zinc/89/40/12/488894012.db2.gz PJRGAQCVLGWEBO-AWEZNQCLSA-N 2 2 355.483 0.445 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654857 488396916 /nfs/dbraw/zinc/39/69/16/488396916.db2.gz RGASUVORNIKQHW-UHFFFAOYSA-N 2 2 373.461 0.510 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654857 488396919 /nfs/dbraw/zinc/39/69/19/488396919.db2.gz RGASUVORNIKQHW-UHFFFAOYSA-N 2 2 373.461 0.510 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@H]3CCC[NH+](C)C3)CC2)o1 ZINC000152370135 488716914 /nfs/dbraw/zinc/71/69/14/488716914.db2.gz DQDHMHSDYZJNLJ-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)CC2)o1 ZINC000152370135 488716917 /nfs/dbraw/zinc/71/69/17/488716917.db2.gz DQDHMHSDYZJNLJ-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)C[C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000152370135 488716920 /nfs/dbraw/zinc/71/69/20/488716920.db2.gz DQDHMHSDYZJNLJ-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000152370135 488716923 /nfs/dbraw/zinc/71/69/23/488716923.db2.gz DQDHMHSDYZJNLJ-INIZCTEOSA-N 2 2 374.489 0.777 20 30 FCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329306737 488992378 /nfs/dbraw/zinc/99/23/78/488992378.db2.gz YVYCZJOPXXUUQO-KURKYZTESA-N 2 2 367.538 0.504 20 30 FCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329306737 488992379 /nfs/dbraw/zinc/99/23/79/488992379.db2.gz YVYCZJOPXXUUQO-KURKYZTESA-N 2 2 367.538 0.504 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CCOC[C@H]3C2)C1 ZINC000329468986 489007222 /nfs/dbraw/zinc/00/72/22/489007222.db2.gz XFBPBSCBHNDAQK-IAGOWNOFSA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CCOC[C@H]3C2)C1 ZINC000329468986 489007226 /nfs/dbraw/zinc/00/72/26/489007226.db2.gz XFBPBSCBHNDAQK-IAGOWNOFSA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)C1 ZINC000329468986 489007230 /nfs/dbraw/zinc/00/72/30/489007230.db2.gz XFBPBSCBHNDAQK-IAGOWNOFSA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)C1 ZINC000329468986 489007234 /nfs/dbraw/zinc/00/72/34/489007234.db2.gz XFBPBSCBHNDAQK-IAGOWNOFSA-N 2 2 354.495 0.316 20 30 FCEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329716206 489030663 /nfs/dbraw/zinc/03/06/63/489030663.db2.gz WCHPAIVWHYBWSL-AEFFLSMTSA-N 2 2 360.506 0.920 20 30 FCEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329716206 489030664 /nfs/dbraw/zinc/03/06/64/489030664.db2.gz WCHPAIVWHYBWSL-AEFFLSMTSA-N 2 2 360.506 0.920 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329733231 489031481 /nfs/dbraw/zinc/03/14/81/489031481.db2.gz JMOLVZQISHETPL-CZUORRHYSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329733231 489031485 /nfs/dbraw/zinc/03/14/85/489031485.db2.gz JMOLVZQISHETPL-CZUORRHYSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329733231 489031489 /nfs/dbraw/zinc/03/14/89/489031489.db2.gz JMOLVZQISHETPL-CZUORRHYSA-N 2 2 360.462 0.419 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329733231 489031491 /nfs/dbraw/zinc/03/14/91/489031491.db2.gz JMOLVZQISHETPL-CZUORRHYSA-N 2 2 360.462 0.419 20 30 FCEDLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329945956 489053501 /nfs/dbraw/zinc/05/35/01/489053501.db2.gz GBCWAYZWRMFFOX-HZPDHXFCSA-N 2 2 364.494 0.733 20 30 FCEDLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329945956 489053502 /nfs/dbraw/zinc/05/35/02/489053502.db2.gz GBCWAYZWRMFFOX-HZPDHXFCSA-N 2 2 364.494 0.733 20 30 FCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190129 489078427 /nfs/dbraw/zinc/07/84/27/489078427.db2.gz VXFNAMXDDCLYEY-SJORKVTESA-N 2 2 368.522 0.979 20 30 FCEDLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190129 489078431 /nfs/dbraw/zinc/07/84/31/489078431.db2.gz VXFNAMXDDCLYEY-SJORKVTESA-N 2 2 368.522 0.979 20 30 FCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330206371 489080857 /nfs/dbraw/zinc/08/08/57/489080857.db2.gz DEWIGKOEZUGJFK-SJORKVTESA-N 2 2 367.538 0.721 20 30 FCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330206371 489080859 /nfs/dbraw/zinc/08/08/59/489080859.db2.gz DEWIGKOEZUGJFK-SJORKVTESA-N 2 2 367.538 0.721 20 30 FCEDLP CC(C)N1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000330227420 489082050 /nfs/dbraw/zinc/08/20/50/489082050.db2.gz CAAJXUYKCRNJMI-OAHLLOKOSA-N 2 2 353.511 0.868 20 30 FCEDLP CC(C)N1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000330227420 489082054 /nfs/dbraw/zinc/08/20/54/489082054.db2.gz CAAJXUYKCRNJMI-OAHLLOKOSA-N 2 2 353.511 0.868 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000331565324 489215065 /nfs/dbraw/zinc/21/50/65/489215065.db2.gz CESXEBSTWDDKKP-UHFFFAOYSA-N 2 2 363.506 0.586 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000284173264 489302521 /nfs/dbraw/zinc/30/25/21/489302521.db2.gz YVHHWRAEQJEUMP-UHFFFAOYSA-N 2 2 355.442 0.760 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361390607 489361748 /nfs/dbraw/zinc/36/17/48/489361748.db2.gz NRMXHKSBFJUIJK-GOSISDBHSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361390607 489361753 /nfs/dbraw/zinc/36/17/53/489361753.db2.gz NRMXHKSBFJUIJK-GOSISDBHSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361390607 489361756 /nfs/dbraw/zinc/36/17/56/489361756.db2.gz NRMXHKSBFJUIJK-GOSISDBHSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361390607 489361758 /nfs/dbraw/zinc/36/17/58/489361758.db2.gz NRMXHKSBFJUIJK-GOSISDBHSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000371462955 489485079 /nfs/dbraw/zinc/48/50/79/489485079.db2.gz MASIEGCBOLZUSD-UHFFFAOYSA-N 2 2 362.518 0.734 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000371462955 489485080 /nfs/dbraw/zinc/48/50/80/489485080.db2.gz MASIEGCBOLZUSD-UHFFFAOYSA-N 2 2 362.518 0.734 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374802526 489706032 /nfs/dbraw/zinc/70/60/32/489706032.db2.gz WIHHMVVMPVHIEB-KRWDZBQOSA-N 2 2 353.507 0.959 20 30 FCEDLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419981936 489872300 /nfs/dbraw/zinc/87/23/00/489872300.db2.gz SOFVDFLEBWLAJA-OAHLLOKOSA-N 2 2 357.458 0.174 20 30 FCEDLP C[C@@H]1C[NH+](C[C@@H](O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000484900441 490477615 /nfs/dbraw/zinc/47/76/15/490477615.db2.gz VMNQKMZVKYKCOZ-KURKYZTESA-N 2 2 354.495 0.004 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515522137 490830305 /nfs/dbraw/zinc/83/03/05/490830305.db2.gz XBAHMZORNFVHAB-HOTGVXAUSA-N 2 2 374.464 0.950 20 30 FCEDLP CN(c1ccnc(C#N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000584361574 491583112 /nfs/dbraw/zinc/58/31/12/491583112.db2.gz VPFRKTWSZPPXEK-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640837535 493135323 /nfs/dbraw/zinc/13/53/23/493135323.db2.gz UHFWNMYHNJWASI-GOSISDBHSA-N 2 2 354.458 0.810 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264982534 526358486 /nfs/dbraw/zinc/35/84/86/526358486.db2.gz LYLWAODRYVGXLB-QGZVFWFLSA-N 2 2 351.470 0.926 20 30 FCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262580076 526387898 /nfs/dbraw/zinc/38/78/98/526387898.db2.gz QESOJUIWHVEEFT-MRXNPFEDSA-N 2 2 374.489 0.618 20 30 FCEDLP C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262447044 526957365 /nfs/dbraw/zinc/95/73/65/526957365.db2.gz VJWKJPUKOMCPMU-HOTGVXAUSA-N 2 2 352.504 0.499 20 30 FCEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000264062008 528423547 /nfs/dbraw/zinc/42/35/47/528423547.db2.gz CWDJXOLOZGQLBZ-MRXNPFEDSA-N 2 2 361.494 0.270 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033292624 667726977 /nfs/dbraw/zinc/72/69/77/667726977.db2.gz SVEXNUAJDALIJX-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412525 673452156 /nfs/dbraw/zinc/45/21/56/673452156.db2.gz SQGKMEJIFJPMEQ-HOTGVXAUSA-N 2 2 352.479 0.060 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412525 673452158 /nfs/dbraw/zinc/45/21/58/673452158.db2.gz SQGKMEJIFJPMEQ-HOTGVXAUSA-N 2 2 352.479 0.060 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001020603656 1168148028 /nfs/dbraw/zinc/14/80/28/1168148028.db2.gz KWHCMKUMPSMSGA-QCODTGAPSA-N 2 2 357.458 0.547 20 30 FCEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104352082 1170290276 /nfs/dbraw/zinc/29/02/76/1170290276.db2.gz ATMWVHUHPVUUPI-ZIAGYGMSSA-N 2 2 368.441 0.890 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001022038496 1170455721 /nfs/dbraw/zinc/45/57/21/1170455721.db2.gz RTZUXKNIFFHHKH-ZWKOTPCHSA-N 2 2 369.469 0.288 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001691240209 1170879511 /nfs/dbraw/zinc/87/95/11/1170879511.db2.gz VXERBDBEULYHTA-OWCLPIDISA-N 2 2 359.474 0.365 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001022736061 1171840287 /nfs/dbraw/zinc/84/02/87/1171840287.db2.gz KWHCMKUMPSMSGA-YIDVYQOGSA-N 2 2 357.458 0.547 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001087231044 1178850839 /nfs/dbraw/zinc/85/08/39/1178850839.db2.gz AZLFUHGUXXLSTF-OWCLPIDISA-N 2 2 359.474 0.956 20 30 FCEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001112522395 1181276564 /nfs/dbraw/zinc/27/65/64/1181276564.db2.gz VVGKBTJZRPSULT-QRFRQXIXSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001112522395 1181276575 /nfs/dbraw/zinc/27/65/75/1181276575.db2.gz VVGKBTJZRPSULT-QRFRQXIXSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908967 1182989650 /nfs/dbraw/zinc/98/96/50/1182989650.db2.gz QVLFZMKHBDNXEG-BZUAXINKSA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494599 1183233905 /nfs/dbraw/zinc/23/39/05/1183233905.db2.gz XVASCWNFKOXVEY-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494599 1183233913 /nfs/dbraw/zinc/23/39/13/1183233913.db2.gz XVASCWNFKOXVEY-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564818 /nfs/dbraw/zinc/56/48/18/1187564818.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564822 /nfs/dbraw/zinc/56/48/22/1187564822.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564828 /nfs/dbraw/zinc/56/48/28/1187564828.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564834 /nfs/dbraw/zinc/56/48/34/1187564834.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 2 354.454 0.922 20 30 FCEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)cnc12 ZINC000895688461 1189874843 /nfs/dbraw/zinc/87/48/43/1189874843.db2.gz SFZBOFSWSGNSQP-GOSISDBHSA-N 2 2 369.473 0.487 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088059218 1190329842 /nfs/dbraw/zinc/32/98/42/1190329842.db2.gz OFMXGQSHVDYSLW-SQNIBIBYSA-N 2 2 371.485 0.840 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088059218 1190329848 /nfs/dbraw/zinc/32/98/48/1190329848.db2.gz OFMXGQSHVDYSLW-SQNIBIBYSA-N 2 2 371.485 0.840 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1CC ZINC000985048599 1190482325 /nfs/dbraw/zinc/48/23/25/1190482325.db2.gz LXYOPEBMKWOPHD-KSZLIROESA-N 2 2 371.485 0.785 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1CC ZINC000985048599 1190482329 /nfs/dbraw/zinc/48/23/29/1190482329.db2.gz LXYOPEBMKWOPHD-KSZLIROESA-N 2 2 371.485 0.785 20 30 FCEDLP C#CCN1C[C@@H](C(=O)OCC)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756822 1224110152 /nfs/dbraw/zinc/11/01/52/1224110152.db2.gz FORQFWSHEBLXGC-KRWDZBQOSA-N 2 2 361.486 0.818 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(OC2CC3(C[NH2+]C3)C2)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218060094 1224137480 /nfs/dbraw/zinc/13/74/80/1224137480.db2.gz XDUMNIXBBGEMOE-HNNXBMFYSA-N 2 2 373.409 0.294 20 30 FCEDLP C[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1)C1C[NH2+]C1 ZINC001218198310 1224146533 /nfs/dbraw/zinc/14/65/33/1224146533.db2.gz HFGISAQXWHUWCB-ABAIWWIYSA-N 2 2 361.398 0.150 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181087 1224146044 /nfs/dbraw/zinc/14/60/44/1224146044.db2.gz RYJVHXULTNNZIM-RYQLBKOJSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181087 1224146046 /nfs/dbraw/zinc/14/60/46/1224146046.db2.gz RYJVHXULTNNZIM-RYQLBKOJSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001691612555 1193801241 /nfs/dbraw/zinc/80/12/41/1193801241.db2.gz IDTJROGYRRAQGT-BBWFWOEESA-N 2 2 359.474 0.935 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000553732781 1194017676 /nfs/dbraw/zinc/01/76/76/1194017676.db2.gz BHTSNZCTBVPMQG-UHFFFAOYSA-N 2 2 366.506 0.324 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789512 1224223598 /nfs/dbraw/zinc/22/35/98/1224223598.db2.gz LGHJSKARYKZDLZ-ZWKOTPCHSA-N 2 2 360.458 0.533 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789512 1224223608 /nfs/dbraw/zinc/22/36/08/1224223608.db2.gz LGHJSKARYKZDLZ-ZWKOTPCHSA-N 2 2 360.458 0.533 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4CC)C[C@H]32)CC1 ZINC001076604949 1194593824 /nfs/dbraw/zinc/59/38/24/1194593824.db2.gz ZTXMNDGDNDMJTB-PKOBYXMFSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4CC)C[C@H]32)CC1 ZINC001076604949 1194593825 /nfs/dbraw/zinc/59/38/25/1194593825.db2.gz ZTXMNDGDNDMJTB-PKOBYXMFSA-N 2 2 370.501 0.676 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811981 1195033544 /nfs/dbraw/zinc/03/35/44/1195033544.db2.gz YSPHSWKCRBWCHT-FGTMMUONSA-N 2 2 358.442 0.344 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811981 1195033548 /nfs/dbraw/zinc/03/35/48/1195033548.db2.gz YSPHSWKCRBWCHT-FGTMMUONSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811981 1195033550 /nfs/dbraw/zinc/03/35/50/1195033550.db2.gz YSPHSWKCRBWCHT-FGTMMUONSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811981 1195033554 /nfs/dbraw/zinc/03/35/54/1195033554.db2.gz YSPHSWKCRBWCHT-FGTMMUONSA-N 2 2 358.442 0.344 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007694 1195142757 /nfs/dbraw/zinc/14/27/57/1195142757.db2.gz YKKYESQKYKLACD-VAMGGRTRSA-N 2 2 353.466 0.541 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007694 1195142768 /nfs/dbraw/zinc/14/27/68/1195142768.db2.gz YKKYESQKYKLACD-VAMGGRTRSA-N 2 2 353.466 0.541 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001086111948 1198175345 /nfs/dbraw/zinc/17/53/45/1198175345.db2.gz KNVMRQYLUKDTFH-YIDVYQOGSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001086111948 1198175365 /nfs/dbraw/zinc/17/53/65/1198175365.db2.gz KNVMRQYLUKDTFH-YIDVYQOGSA-N 2 2 357.458 0.785 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109397265 1200244646 /nfs/dbraw/zinc/24/46/46/1200244646.db2.gz URGWQDBBGRUHJA-YVSFHVDLSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109397265 1200244648 /nfs/dbraw/zinc/24/46/48/1200244648.db2.gz URGWQDBBGRUHJA-YVSFHVDLSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001109397265 1200244652 /nfs/dbraw/zinc/24/46/52/1200244652.db2.gz URGWQDBBGRUHJA-YVSFHVDLSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001109397265 1200244658 /nfs/dbraw/zinc/24/46/58/1200244658.db2.gz URGWQDBBGRUHJA-YVSFHVDLSA-N 2 2 361.490 0.326 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526051 1200362714 /nfs/dbraw/zinc/36/27/14/1200362714.db2.gz OTEFQNKATRUMQM-IKGGRYGDSA-N 2 2 372.473 0.675 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526051 1200362724 /nfs/dbraw/zinc/36/27/24/1200362724.db2.gz OTEFQNKATRUMQM-IKGGRYGDSA-N 2 2 372.473 0.675 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864718 1200574872 /nfs/dbraw/zinc/57/48/72/1200574872.db2.gz QIARPHTULHHYFD-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864718 1200574882 /nfs/dbraw/zinc/57/48/82/1200574882.db2.gz QIARPHTULHHYFD-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800137 1224620180 /nfs/dbraw/zinc/62/01/80/1224620180.db2.gz HXSHWOYDNPQFNA-KURKYZTESA-N 2 2 365.522 0.945 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800137 1224620187 /nfs/dbraw/zinc/62/01/87/1224620187.db2.gz HXSHWOYDNPQFNA-KURKYZTESA-N 2 2 365.522 0.945 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563224 1200796518 /nfs/dbraw/zinc/79/65/18/1200796518.db2.gz LYKAXFYFSCSVPU-YWZLYKJASA-N 2 2 371.485 0.655 20 30 FCEDLP C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)CCCn2cc[nH+]c2C)c1=O ZINC000746626283 1200860392 /nfs/dbraw/zinc/86/03/92/1200860392.db2.gz CRUFUNGBVKFTLZ-UHFFFAOYSA-N 2 2 374.445 0.028 20 30 FCEDLP C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)CCCn2cc[nH+]c2C)c1=O ZINC000746626283 1200860395 /nfs/dbraw/zinc/86/03/95/1200860395.db2.gz CRUFUNGBVKFTLZ-UHFFFAOYSA-N 2 2 374.445 0.028 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129916754 1201426971 /nfs/dbraw/zinc/42/69/71/1201426971.db2.gz CQQYBXOSKVNHEN-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129916806 1201427159 /nfs/dbraw/zinc/42/71/59/1201427159.db2.gz FBNUHSXYCGVCBD-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012050 1201471208 /nfs/dbraw/zinc/47/12/08/1201471208.db2.gz LVVKCHHJBFUMBJ-ANQUJSFKSA-N 2 2 353.430 0.180 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC001130220822 1201550495 /nfs/dbraw/zinc/55/04/95/1201550495.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC001130220822 1201550499 /nfs/dbraw/zinc/55/04/99/1201550499.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237760 1201560429 /nfs/dbraw/zinc/56/04/29/1201560429.db2.gz DBAWIXCMBKGEOS-KKUMJFAQSA-N 2 2 364.494 0.799 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130820125 1202809082 /nfs/dbraw/zinc/80/90/82/1202809082.db2.gz OPJSBLWKWNZZIO-UONOGXRCSA-N 2 2 357.418 0.151 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313278 1202887179 /nfs/dbraw/zinc/88/71/79/1202887179.db2.gz MQAOEUNUNAGNCH-OAGGEKHMSA-N 2 2 362.474 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313278 1202887181 /nfs/dbraw/zinc/88/71/81/1202887181.db2.gz MQAOEUNUNAGNCH-OAGGEKHMSA-N 2 2 362.474 0.620 20 30 FCEDLP C=CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131367635 1202889431 /nfs/dbraw/zinc/88/94/31/1202889431.db2.gz WRLLJXPOJDDEOG-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131367635 1202889432 /nfs/dbraw/zinc/88/94/32/1202889432.db2.gz WRLLJXPOJDDEOG-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001131367635 1202889434 /nfs/dbraw/zinc/88/94/34/1202889434.db2.gz WRLLJXPOJDDEOG-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001131367635 1202889436 /nfs/dbraw/zinc/88/94/36/1202889436.db2.gz WRLLJXPOJDDEOG-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867754 1203320120 /nfs/dbraw/zinc/32/01/20/1203320120.db2.gz WXQSWMCINSIHON-OTWHNJEPSA-N 2 2 357.454 0.543 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867754 1203320122 /nfs/dbraw/zinc/32/01/22/1203320122.db2.gz WXQSWMCINSIHON-OTWHNJEPSA-N 2 2 357.454 0.543 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087010446 1204897906 /nfs/dbraw/zinc/89/79/06/1204897906.db2.gz AYKHKCGYMRUSLU-OTWHNJEPSA-N 2 2 371.485 0.048 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2noc(CC)n2)[C@H](C)C1 ZINC001093830931 1206126663 /nfs/dbraw/zinc/12/66/63/1206126663.db2.gz ZRLBIVAURPUEDM-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2noc(CC)n2)[C@H](C)C1 ZINC001093830931 1206126670 /nfs/dbraw/zinc/12/66/70/1206126670.db2.gz ZRLBIVAURPUEDM-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948111 1207490873 /nfs/dbraw/zinc/49/08/73/1207490873.db2.gz CRXXPVWDRQGTAB-JENIJYKNSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948111 1207490877 /nfs/dbraw/zinc/49/08/77/1207490877.db2.gz CRXXPVWDRQGTAB-JENIJYKNSA-N 2 2 356.470 0.936 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189275328 1207529307 /nfs/dbraw/zinc/52/93/07/1207529307.db2.gz ABODMCRGTKFVHT-YESZJQIVSA-N 2 2 371.485 0.677 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189275328 1207529309 /nfs/dbraw/zinc/52/93/09/1207529309.db2.gz ABODMCRGTKFVHT-YESZJQIVSA-N 2 2 371.485 0.677 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486826 1207687756 /nfs/dbraw/zinc/68/77/56/1207687756.db2.gz MGVGZXNACIVQHU-YESZJQIVSA-N 2 2 359.474 0.887 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486826 1207687761 /nfs/dbraw/zinc/68/77/61/1207687761.db2.gz MGVGZXNACIVQHU-YESZJQIVSA-N 2 2 359.474 0.887 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193754819 1207889873 /nfs/dbraw/zinc/88/98/73/1207889873.db2.gz BTNBKNAVYXYKFG-KZNAEPCWSA-N 2 2 363.506 0.721 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001193953664 1207901271 /nfs/dbraw/zinc/90/12/71/1207901271.db2.gz MASPOQAGHNRKRX-KURKYZTESA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001193953664 1207901274 /nfs/dbraw/zinc/90/12/74/1207901274.db2.gz MASPOQAGHNRKRX-KURKYZTESA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001195972947 1208048896 /nfs/dbraw/zinc/04/88/96/1208048896.db2.gz MVJIFYBSDDQGMW-KZNAEPCWSA-N 2 2 362.449 0.945 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738337 1225046149 /nfs/dbraw/zinc/04/61/49/1225046149.db2.gz XTVQTPXYMWEQMJ-HBFSDRIKSA-N 2 2 359.470 0.275 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220738337 1225046155 /nfs/dbraw/zinc/04/61/55/1225046155.db2.gz XTVQTPXYMWEQMJ-HBFSDRIKSA-N 2 2 359.470 0.275 20 30 FCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201437354 1208457199 /nfs/dbraw/zinc/45/71/99/1208457199.db2.gz CTCXSIPIXYZOIB-GVDBMIGSSA-N 2 2 360.458 0.381 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709892 1209715647 /nfs/dbraw/zinc/71/56/47/1209715647.db2.gz QDNQMIZYADIFBO-ZACQAIPSSA-N 2 2 360.502 0.886 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709892 1209715655 /nfs/dbraw/zinc/71/56/55/1209715655.db2.gz QDNQMIZYADIFBO-ZACQAIPSSA-N 2 2 360.502 0.886 20 30 FCEDLP C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875599352 1210382342 /nfs/dbraw/zinc/38/23/42/1210382342.db2.gz INQDYBQBUFQCEU-INIZCTEOSA-N 2 2 366.506 0.015 20 30 FCEDLP C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875599352 1210382349 /nfs/dbraw/zinc/38/23/49/1210382349.db2.gz INQDYBQBUFQCEU-INIZCTEOSA-N 2 2 366.506 0.015 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274433791 1211054582 /nfs/dbraw/zinc/05/45/82/1211054582.db2.gz YQBKVHOERFILSM-MSOLQXFVSA-N 2 2 359.474 0.447 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934890 1211591719 /nfs/dbraw/zinc/59/17/19/1211591719.db2.gz QCVHBAIOAGVDKT-TVFCKZIOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934890 1211591723 /nfs/dbraw/zinc/59/17/23/1211591723.db2.gz QCVHBAIOAGVDKT-TVFCKZIOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934890 1211591728 /nfs/dbraw/zinc/59/17/28/1211591728.db2.gz QCVHBAIOAGVDKT-TVFCKZIOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934890 1211591732 /nfs/dbraw/zinc/59/17/32/1211591732.db2.gz QCVHBAIOAGVDKT-TVFCKZIOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560730 1225366517 /nfs/dbraw/zinc/36/65/17/1225366517.db2.gz DKEILXUHXBNSBZ-BRWVUGGUSA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560730 1225366522 /nfs/dbraw/zinc/36/65/22/1225366522.db2.gz DKEILXUHXBNSBZ-BRWVUGGUSA-N 2 2 371.485 0.679 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221711031 1225453613 /nfs/dbraw/zinc/45/36/13/1225453613.db2.gz VDSMGKRVBHSCTP-ZHALLVOQSA-N 2 2 360.502 0.696 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221711031 1225453617 /nfs/dbraw/zinc/45/36/17/1225453617.db2.gz VDSMGKRVBHSCTP-ZHALLVOQSA-N 2 2 360.502 0.696 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001221761900 1225471147 /nfs/dbraw/zinc/47/11/47/1225471147.db2.gz HQYBNPGAAHMCHY-FGTMMUONSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001221761900 1225471152 /nfs/dbraw/zinc/47/11/52/1225471152.db2.gz HQYBNPGAAHMCHY-FGTMMUONSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761900 1225471155 /nfs/dbraw/zinc/47/11/55/1225471155.db2.gz HQYBNPGAAHMCHY-FGTMMUONSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001221761900 1225471159 /nfs/dbraw/zinc/47/11/59/1225471159.db2.gz HQYBNPGAAHMCHY-FGTMMUONSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877842 1225519243 /nfs/dbraw/zinc/51/92/43/1225519243.db2.gz LVEBSBSTUQZGSP-LMMKCTJWSA-N 2 2 362.518 0.635 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877842 1225519247 /nfs/dbraw/zinc/51/92/47/1225519247.db2.gz LVEBSBSTUQZGSP-LMMKCTJWSA-N 2 2 362.518 0.635 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656380 1225642682 /nfs/dbraw/zinc/64/26/82/1225642682.db2.gz GGDQGZCBMAPIGU-ZACQAIPSSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656380 1225642685 /nfs/dbraw/zinc/64/26/85/1225642685.db2.gz GGDQGZCBMAPIGU-ZACQAIPSSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656380 1225642686 /nfs/dbraw/zinc/64/26/86/1225642686.db2.gz GGDQGZCBMAPIGU-ZACQAIPSSA-N 2 2 361.490 0.422 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222656380 1225642688 /nfs/dbraw/zinc/64/26/88/1225642688.db2.gz GGDQGZCBMAPIGU-ZACQAIPSSA-N 2 2 361.490 0.422 20 30 FCEDLP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000995625 1216125795 /nfs/dbraw/zinc/12/57/95/1216125795.db2.gz MXZVNGMAJKFWFO-MOPGFXCFSA-N 2 2 361.486 0.638 20 30 FCEDLP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000995625 1216125797 /nfs/dbraw/zinc/12/57/97/1216125797.db2.gz MXZVNGMAJKFWFO-MOPGFXCFSA-N 2 2 361.486 0.638 20 30 FCEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810815 1225654596 /nfs/dbraw/zinc/65/45/96/1225654596.db2.gz YGSBLCSGVGUMMQ-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810815 1225654597 /nfs/dbraw/zinc/65/45/97/1225654597.db2.gz YGSBLCSGVGUMMQ-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810815 1225654601 /nfs/dbraw/zinc/65/46/01/1225654601.db2.gz YGSBLCSGVGUMMQ-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222810815 1225654605 /nfs/dbraw/zinc/65/46/05/1225654605.db2.gz YGSBLCSGVGUMMQ-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962266 1216869161 /nfs/dbraw/zinc/86/91/61/1216869161.db2.gz NMPNYNBTPYSCNL-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962266 1216869168 /nfs/dbraw/zinc/86/91/68/1216869168.db2.gz NMPNYNBTPYSCNL-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965815 1216871994 /nfs/dbraw/zinc/87/19/94/1216871994.db2.gz HVXUIBSDPXKLLW-KURKYZTESA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965815 1216871996 /nfs/dbraw/zinc/87/19/96/1216871996.db2.gz HVXUIBSDPXKLLW-KURKYZTESA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965815 1216871997 /nfs/dbraw/zinc/87/19/97/1216871997.db2.gz HVXUIBSDPXKLLW-KURKYZTESA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965815 1216871999 /nfs/dbraw/zinc/87/19/99/1216871999.db2.gz HVXUIBSDPXKLLW-KURKYZTESA-N 2 2 358.490 0.763 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040971 1216917183 /nfs/dbraw/zinc/91/71/83/1216917183.db2.gz ONFSMBYAMPPVSL-CVEARBPZSA-N 2 2 355.446 0.663 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040971 1216917187 /nfs/dbraw/zinc/91/71/87/1216917187.db2.gz ONFSMBYAMPPVSL-CVEARBPZSA-N 2 2 355.446 0.663 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C ZINC001097248143 1218735885 /nfs/dbraw/zinc/73/58/85/1218735885.db2.gz RRNPXARABKPALX-YRXWBPOGSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1nc(C)nc1C ZINC001097248143 1218735891 /nfs/dbraw/zinc/73/58/91/1218735891.db2.gz RRNPXARABKPALX-YRXWBPOGSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)nc1C ZINC001097248143 1218735899 /nfs/dbraw/zinc/73/58/99/1218735899.db2.gz RRNPXARABKPALX-YRXWBPOGSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)nc1C ZINC001097248143 1218735905 /nfs/dbraw/zinc/73/59/05/1218735905.db2.gz RRNPXARABKPALX-YRXWBPOGSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234905 1219311085 /nfs/dbraw/zinc/31/10/85/1219311085.db2.gz NIMWNWJGNUNANU-WBVHZDCISA-N 2 2 353.430 0.028 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001070381722 1219407336 /nfs/dbraw/zinc/40/73/36/1219407336.db2.gz RLELCGKCYLIISC-XLIONFOSSA-N 2 2 371.485 0.461 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001070662669 1219513564 /nfs/dbraw/zinc/51/35/64/1219513564.db2.gz ZVMBSXMZCUQERG-USXIJHARSA-N 2 2 354.458 0.949 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC#N ZINC001070671283 1219518238 /nfs/dbraw/zinc/51/82/38/1219518238.db2.gz GWSZYAIREGLLCL-NUJGCVRESA-N 2 2 356.474 0.702 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC#N ZINC001070708333 1219535988 /nfs/dbraw/zinc/53/59/88/1219535988.db2.gz JYIPLOYABKWDMS-QZTJIDSGSA-N 2 2 370.501 0.950 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924774 1219582109 /nfs/dbraw/zinc/58/21/09/1219582109.db2.gz RZYQDPXVPYWRQL-ZACQAIPSSA-N 2 2 360.458 0.211 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924774 1219582112 /nfs/dbraw/zinc/58/21/12/1219582112.db2.gz RZYQDPXVPYWRQL-ZACQAIPSSA-N 2 2 360.458 0.211 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267519 1220256455 /nfs/dbraw/zinc/25/64/55/1220256455.db2.gz IALCBNVEZYBMQO-GUXCAODWSA-N 2 2 369.469 0.290 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267519 1220256459 /nfs/dbraw/zinc/25/64/59/1220256459.db2.gz IALCBNVEZYBMQO-GUXCAODWSA-N 2 2 369.469 0.290 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101283131 1220267320 /nfs/dbraw/zinc/26/73/20/1220267320.db2.gz UEFOZEBKCCEDPZ-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101283131 1220267325 /nfs/dbraw/zinc/26/73/25/1220267325.db2.gz UEFOZEBKCCEDPZ-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317238 1220284948 /nfs/dbraw/zinc/28/49/48/1220284948.db2.gz PUXNWUZCAKAWMH-MDZRGWNJSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317238 1220284952 /nfs/dbraw/zinc/28/49/52/1220284952.db2.gz PUXNWUZCAKAWMH-MDZRGWNJSA-N 2 2 359.474 0.744 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452313 1220886328 /nfs/dbraw/zinc/88/63/28/1220886328.db2.gz RTGXWQCOIJCQEM-KLHDSHLOSA-N 2 2 372.473 0.238 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452313 1220886331 /nfs/dbraw/zinc/88/63/31/1220886331.db2.gz RTGXWQCOIJCQEM-KLHDSHLOSA-N 2 2 372.473 0.238 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001103574120 1220905434 /nfs/dbraw/zinc/90/54/34/1220905434.db2.gz BEAOZEXROOODCM-OAGGEKHMSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001103574120 1220905437 /nfs/dbraw/zinc/90/54/37/1220905437.db2.gz BEAOZEXROOODCM-OAGGEKHMSA-N 2 2 359.474 0.813 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688248 1220939800 /nfs/dbraw/zinc/93/98/00/1220939800.db2.gz RUUBLCVAEYCHTB-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688248 1220939802 /nfs/dbraw/zinc/93/98/02/1220939802.db2.gz RUUBLCVAEYCHTB-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001103779316 1220972195 /nfs/dbraw/zinc/97/21/95/1220972195.db2.gz XDADXHQUALRFQL-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001103779316 1220972199 /nfs/dbraw/zinc/97/21/99/1220972199.db2.gz XDADXHQUALRFQL-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792759 1221111895 /nfs/dbraw/zinc/11/18/95/1221111895.db2.gz MTLWLOQLNOVWGT-GUXCAODWSA-N 2 2 371.485 0.718 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792759 1221111900 /nfs/dbraw/zinc/11/19/00/1221111900.db2.gz MTLWLOQLNOVWGT-GUXCAODWSA-N 2 2 371.485 0.718 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000834408104 1222571905 /nfs/dbraw/zinc/57/19/05/1222571905.db2.gz WZQVGVJBHCNMLV-YRXWBPOGSA-N 2 2 370.497 0.335 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000834408104 1222571907 /nfs/dbraw/zinc/57/19/07/1222571907.db2.gz WZQVGVJBHCNMLV-YRXWBPOGSA-N 2 2 370.497 0.335 20 30 FCEDLP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000839369626 1222734582 /nfs/dbraw/zinc/73/45/82/1222734582.db2.gz IYACOSLVENMYON-MSOLQXFVSA-N 2 2 362.518 0.874 20 30 FCEDLP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000839369626 1222734587 /nfs/dbraw/zinc/73/45/87/1222734587.db2.gz IYACOSLVENMYON-MSOLQXFVSA-N 2 2 362.518 0.874 20 30 FCEDLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cncc(C#N)c1)C2 ZINC001276487499 1223349020 /nfs/dbraw/zinc/34/90/20/1223349020.db2.gz XGGOIINDGFLYJF-IBGZPJMESA-N 2 2 357.458 0.566 20 30 FCEDLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC001276487499 1223349022 /nfs/dbraw/zinc/34/90/22/1223349022.db2.gz XGGOIINDGFLYJF-IBGZPJMESA-N 2 2 357.458 0.566 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590049 1223559666 /nfs/dbraw/zinc/55/96/66/1223559666.db2.gz ANDIQSVFLGRVHB-BRWVUGGUSA-N 2 2 363.506 0.527 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590049 1223559669 /nfs/dbraw/zinc/55/96/69/1223559669.db2.gz ANDIQSVFLGRVHB-BRWVUGGUSA-N 2 2 363.506 0.527 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208590049 1223559674 /nfs/dbraw/zinc/55/96/74/1223559674.db2.gz ANDIQSVFLGRVHB-BRWVUGGUSA-N 2 2 363.506 0.527 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208590049 1223559678 /nfs/dbraw/zinc/55/96/78/1223559678.db2.gz ANDIQSVFLGRVHB-BRWVUGGUSA-N 2 2 363.506 0.527 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335361 1223786642 /nfs/dbraw/zinc/78/66/42/1223786642.db2.gz BWYQBHFOEJRDNH-KBAYOESNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335361 1223786645 /nfs/dbraw/zinc/78/66/45/1223786645.db2.gz BWYQBHFOEJRDNH-KBAYOESNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916815 1223871748 /nfs/dbraw/zinc/87/17/48/1223871748.db2.gz LLNLQPGCBNHGPW-BRWVUGGUSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916815 1223871750 /nfs/dbraw/zinc/87/17/50/1223871750.db2.gz LLNLQPGCBNHGPW-BRWVUGGUSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269236 1223986618 /nfs/dbraw/zinc/98/66/18/1223986618.db2.gz RLFXSVHMVPVUPF-IAGOWNOFSA-N 2 2 359.474 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001216993367 1224083408 /nfs/dbraw/zinc/08/34/08/1224083408.db2.gz BEDASMZMBSOPSD-BRWVUGGUSA-N 2 2 359.474 0.887 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000976815781 1248412832 /nfs/dbraw/zinc/41/28/32/1248412832.db2.gz OCVRQAZALAOXHQ-QZTJIDSGSA-N 2 2 371.485 0.772 20 30 FCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079129694 1255444566 /nfs/dbraw/zinc/44/45/66/1255444566.db2.gz BBHJYXLGYIUWOW-AQNXPRMDSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079129694 1255444569 /nfs/dbraw/zinc/44/45/69/1255444569.db2.gz BBHJYXLGYIUWOW-AQNXPRMDSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129694 1255444572 /nfs/dbraw/zinc/44/45/72/1255444572.db2.gz BBHJYXLGYIUWOW-AQNXPRMDSA-N 2 2 371.481 0.414 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129694 1255444581 /nfs/dbraw/zinc/44/45/81/1255444581.db2.gz BBHJYXLGYIUWOW-AQNXPRMDSA-N 2 2 371.481 0.414 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369141 1256718523 /nfs/dbraw/zinc/71/85/23/1256718523.db2.gz ZZZYYEQKRCFPHK-BMGDILEWSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369141 1256718528 /nfs/dbraw/zinc/71/85/28/1256718528.db2.gz ZZZYYEQKRCFPHK-BMGDILEWSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369141 1256718532 /nfs/dbraw/zinc/71/85/32/1256718532.db2.gz ZZZYYEQKRCFPHK-BMGDILEWSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369141 1256718536 /nfs/dbraw/zinc/71/85/36/1256718536.db2.gz ZZZYYEQKRCFPHK-BMGDILEWSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001082567973 1256873100 /nfs/dbraw/zinc/87/31/00/1256873100.db2.gz OYGYYAYGJULIEQ-OIISXLGYSA-N 2 2 370.501 0.727 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001082567973 1256873112 /nfs/dbraw/zinc/87/31/12/1256873112.db2.gz OYGYYAYGJULIEQ-OIISXLGYSA-N 2 2 370.501 0.727 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001084418095 1258099088 /nfs/dbraw/zinc/09/90/88/1258099088.db2.gz UZQFSKHQYDKCNS-CEXWTWQISA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001084418095 1258099096 /nfs/dbraw/zinc/09/90/96/1258099096.db2.gz UZQFSKHQYDKCNS-CEXWTWQISA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cnn(C)c3)C[C@H]21 ZINC001084418095 1258099104 /nfs/dbraw/zinc/09/91/04/1258099104.db2.gz UZQFSKHQYDKCNS-CEXWTWQISA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cnn(C)c3)C[C@H]21 ZINC001084418095 1258099111 /nfs/dbraw/zinc/09/91/11/1258099111.db2.gz UZQFSKHQYDKCNS-CEXWTWQISA-N 2 2 355.486 0.593 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncn3C)[C@H]2C1 ZINC001084961220 1258472047 /nfs/dbraw/zinc/47/20/47/1258472047.db2.gz SQUBWSVWLWBSQH-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cncn3C)[C@H]2C1 ZINC001084961220 1258472050 /nfs/dbraw/zinc/47/20/50/1258472050.db2.gz SQUBWSVWLWBSQH-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncn3C)[C@H]2C1 ZINC001084961220 1258472052 /nfs/dbraw/zinc/47/20/52/1258472052.db2.gz SQUBWSVWLWBSQH-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncn3C)[C@H]2C1 ZINC001084961220 1258472054 /nfs/dbraw/zinc/47/20/54/1258472054.db2.gz SQUBWSVWLWBSQH-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001085044056 1258544212 /nfs/dbraw/zinc/54/42/12/1258544212.db2.gz XHRSPUWDBUOFGE-XIRDDKMYSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001085044056 1258544213 /nfs/dbraw/zinc/54/42/13/1258544213.db2.gz XHRSPUWDBUOFGE-XIRDDKMYSA-N 2 2 357.458 0.662 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC1 ZINC001088211932 1258735449 /nfs/dbraw/zinc/73/54/49/1258735449.db2.gz GUNDOAKXKKGELE-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC1 ZINC001088211932 1258735454 /nfs/dbraw/zinc/73/54/54/1258735454.db2.gz GUNDOAKXKKGELE-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800615 1258965608 /nfs/dbraw/zinc/96/56/08/1258965608.db2.gz DHBZDCLHDFXXEG-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106877145 1258985609 /nfs/dbraw/zinc/98/56/09/1258985609.db2.gz OSZSXRPGTPNULQ-QLFBSQMISA-N 2 2 359.474 0.509 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938451 1259001636 /nfs/dbraw/zinc/00/16/36/1259001636.db2.gz XKOWGEDTEYCPQO-OWCLPIDISA-N 2 2 361.490 0.728 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561033 1259118306 /nfs/dbraw/zinc/11/83/06/1259118306.db2.gz AQXWENOXPJOVFX-SQGPQFPESA-N 2 2 371.485 0.944 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561033 1259118310 /nfs/dbraw/zinc/11/83/10/1259118310.db2.gz AQXWENOXPJOVFX-SQGPQFPESA-N 2 2 371.485 0.944 20 30 FCEDLP Cn1cc(CN2CCO[C@H]3C[N@H+](Cc4c[nH+]ccc4N)C[C@@H]32)cc1C#N ZINC001279617123 1260899791 /nfs/dbraw/zinc/89/97/91/1260899791.db2.gz QEYAVKNPYKAXIP-OALUTQOASA-N 2 2 352.442 0.790 20 30 FCEDLP Cn1cc(CN2CCO[C@H]3C[N@@H+](Cc4c[nH+]ccc4N)C[C@@H]32)cc1C#N ZINC001279617123 1260899795 /nfs/dbraw/zinc/89/97/95/1260899795.db2.gz QEYAVKNPYKAXIP-OALUTQOASA-N 2 2 352.442 0.790 20 30 FCEDLP N#CC1(C(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2c[nH+]ccc2N)C3)CCOCC1 ZINC001279617280 1260900267 /nfs/dbraw/zinc/90/02/67/1260900267.db2.gz YDNKOQGVGDRYGO-HOCLYGCPSA-N 2 2 355.442 0.847 20 30 FCEDLP N#CC1(C(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c[nH+]ccc2N)C3)CCOCC1 ZINC001279617280 1260900272 /nfs/dbraw/zinc/90/02/72/1260900272.db2.gz YDNKOQGVGDRYGO-HOCLYGCPSA-N 2 2 355.442 0.847 20 30 FCEDLP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)C2(C#N)CCOCC2)CC1 ZINC001280069858 1260989325 /nfs/dbraw/zinc/98/93/25/1260989325.db2.gz BMDIRQPERYTSST-SJORKVTESA-N 2 2 362.474 0.313 20 30 FCEDLP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)C2(C#N)CCOCC2)CC1 ZINC001280069858 1260989329 /nfs/dbraw/zinc/98/93/29/1260989329.db2.gz BMDIRQPERYTSST-SJORKVTESA-N 2 2 362.474 0.313 20 30 FCEDLP C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1=O ZINC001318541807 1263585883 /nfs/dbraw/zinc/58/58/83/1263585883.db2.gz PXHVALJKVIFJLI-UHFFFAOYSA-N 2 2 368.353 0.491 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC001322710880 1264248211 /nfs/dbraw/zinc/24/82/11/1264248211.db2.gz RQNYUWIRMWXGJX-QGZVFWFLSA-N 2 2 369.469 0.459 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC001322710880 1264248214 /nfs/dbraw/zinc/24/82/14/1264248214.db2.gz RQNYUWIRMWXGJX-QGZVFWFLSA-N 2 2 369.469 0.459 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324883289 1264727101 /nfs/dbraw/zinc/72/71/01/1264727101.db2.gz VPSVHQXNLSOXHZ-MAUKXSAKSA-N 2 2 365.453 0.077 20 30 FCEDLP CN(C(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324883289 1264727111 /nfs/dbraw/zinc/72/71/11/1264727111.db2.gz VPSVHQXNLSOXHZ-MAUKXSAKSA-N 2 2 365.453 0.077 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)n3)C2)CC1 ZINC001326821882 1265175319 /nfs/dbraw/zinc/17/53/19/1265175319.db2.gz UZWZFDZNXVZRLM-CQSZACIVSA-N 2 2 356.430 0.176 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)n3)C2)CC1 ZINC001326821882 1265175324 /nfs/dbraw/zinc/17/53/24/1265175324.db2.gz UZWZFDZNXVZRLM-CQSZACIVSA-N 2 2 356.430 0.176 20 30 FCEDLP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001343749346 1269998712 /nfs/dbraw/zinc/99/87/12/1269998712.db2.gz UCLRUMWVRFERKW-AWEZNQCLSA-N 2 2 364.450 0.108 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[C@H]2CCOC2)CC1 ZINC001574707402 1271497873 /nfs/dbraw/zinc/49/78/73/1271497873.db2.gz RKRQHWYAAQQNKW-KRWDZBQOSA-N 2 2 372.517 0.927 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[C@@H]2CCOC2)CC1 ZINC001574707403 1271498289 /nfs/dbraw/zinc/49/82/89/1271498289.db2.gz RKRQHWYAAQQNKW-QGZVFWFLSA-N 2 2 372.517 0.927 20 30 FCEDLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CC[NH2+]CC1=O ZINC001575047418 1271700285 /nfs/dbraw/zinc/70/02/85/1271700285.db2.gz AIULDNZHKQXOBO-OAHLLOKOSA-N 2 2 357.458 0.269 20 30 FCEDLP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CC[NH2+]CC1=O ZINC001575047417 1271700939 /nfs/dbraw/zinc/70/09/39/1271700939.db2.gz AIULDNZHKQXOBO-HNNXBMFYSA-N 2 2 357.458 0.269 20 30 FCEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001575215939 1271794099 /nfs/dbraw/zinc/79/40/99/1271794099.db2.gz MRWHVKHNGVNENF-GXTWGEPZSA-N 2 2 351.451 0.203 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351071 1282446983 /nfs/dbraw/zinc/44/69/83/1282446983.db2.gz DRAWSWCGGDWGFZ-BBRMVZONSA-N 2 2 368.445 0.300 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351071 1282446989 /nfs/dbraw/zinc/44/69/89/1282446989.db2.gz DRAWSWCGGDWGFZ-BBRMVZONSA-N 2 2 368.445 0.300 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001692027634 1289370186 /nfs/dbraw/zinc/37/01/86/1289370186.db2.gz YPSXWKHEQTYFOG-IXDOHACOSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001692027634 1289370197 /nfs/dbraw/zinc/37/01/97/1289370197.db2.gz YPSXWKHEQTYFOG-IXDOHACOSA-N 2 2 366.506 0.226 20 30 FCEDLP CCO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CC#CCOC ZINC001692038028 1289374272 /nfs/dbraw/zinc/37/42/72/1289374272.db2.gz LYPBNKUNUISJRO-IAGOWNOFSA-N 2 2 362.474 0.456 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001692087600 1289396930 /nfs/dbraw/zinc/39/69/30/1289396930.db2.gz JKAVJBMSTDQTMK-VYDXJSESSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001692087600 1289396940 /nfs/dbraw/zinc/39/69/40/1289396940.db2.gz JKAVJBMSTDQTMK-VYDXJSESSA-N 2 2 359.474 0.554 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001692267530 1289439127 /nfs/dbraw/zinc/43/91/27/1289439127.db2.gz MZRYKLBONHNSCX-SQNIBIBYSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001692267530 1289439131 /nfs/dbraw/zinc/43/91/31/1289439131.db2.gz MZRYKLBONHNSCX-SQNIBIBYSA-N 2 2 356.470 0.876 20 30 FCEDLP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001689681516 1294823435 /nfs/dbraw/zinc/82/34/35/1294823435.db2.gz ZHFLAHBQIQFKKQ-CRAIPNDOSA-N 2 2 371.485 0.745 20 30 FCEDLP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001689681516 1294823441 /nfs/dbraw/zinc/82/34/41/1294823441.db2.gz ZHFLAHBQIQFKKQ-CRAIPNDOSA-N 2 2 371.485 0.745 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001081810126 840040980 /nfs/dbraw/zinc/04/09/80/840040980.db2.gz IRBRAWPLQXCSIJ-OWCLPIDISA-N 2 2 355.429 0.945 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001081810126 840040991 /nfs/dbraw/zinc/04/09/91/840040991.db2.gz IRBRAWPLQXCSIJ-OWCLPIDISA-N 2 2 355.429 0.945 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001081810126 840040997 /nfs/dbraw/zinc/04/09/97/840040997.db2.gz IRBRAWPLQXCSIJ-OWCLPIDISA-N 2 2 355.429 0.945 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001081810126 840041003 /nfs/dbraw/zinc/04/10/03/840041003.db2.gz IRBRAWPLQXCSIJ-OWCLPIDISA-N 2 2 355.429 0.945 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274384 840854073 /nfs/dbraw/zinc/85/40/73/840854073.db2.gz JMFBVIXYPZXTJA-XOKHGSTOSA-N 2 2 360.483 0.983 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274384 840854087 /nfs/dbraw/zinc/85/40/87/840854087.db2.gz JMFBVIXYPZXTJA-XOKHGSTOSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274384 840854090 /nfs/dbraw/zinc/85/40/90/840854090.db2.gz JMFBVIXYPZXTJA-XOKHGSTOSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083274384 840854102 /nfs/dbraw/zinc/85/41/02/840854102.db2.gz JMFBVIXYPZXTJA-XOKHGSTOSA-N 2 2 360.483 0.983 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054156 841668248 /nfs/dbraw/zinc/66/82/48/841668248.db2.gz YOPSVFKVRABGMZ-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054156 841668253 /nfs/dbraw/zinc/66/82/53/841668253.db2.gz YOPSVFKVRABGMZ-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054156 841668259 /nfs/dbraw/zinc/66/82/59/841668259.db2.gz YOPSVFKVRABGMZ-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084054156 841668263 /nfs/dbraw/zinc/66/82/63/841668263.db2.gz YOPSVFKVRABGMZ-NXHRZFHOSA-N 2 2 361.873 0.805 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196667202 852994186 /nfs/dbraw/zinc/99/41/86/852994186.db2.gz MIHUVZRLGQTBII-HZPDHXFCSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196667202 852994192 /nfs/dbraw/zinc/99/41/92/852994192.db2.gz MIHUVZRLGQTBII-HZPDHXFCSA-N 2 2 350.463 0.761 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031932 854147939 /nfs/dbraw/zinc/14/79/39/854147939.db2.gz RBPPQHKTFNKNKV-IAGOWNOFSA-N 2 2 350.507 0.943 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031932 854147940 /nfs/dbraw/zinc/14/79/40/854147940.db2.gz RBPPQHKTFNKNKV-IAGOWNOFSA-N 2 2 350.507 0.943 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1OC ZINC001212419765 854470859 /nfs/dbraw/zinc/47/08/59/854470859.db2.gz AXBVGFGIASNQJB-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212419765 854470862 /nfs/dbraw/zinc/47/08/62/854470862.db2.gz AXBVGFGIASNQJB-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1OC ZINC001212419765 854470868 /nfs/dbraw/zinc/47/08/68/854470868.db2.gz AXBVGFGIASNQJB-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1OC ZINC001212419765 854470874 /nfs/dbraw/zinc/47/08/74/854470874.db2.gz AXBVGFGIASNQJB-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450977 854483657 /nfs/dbraw/zinc/48/36/57/854483657.db2.gz IBGKQWMVOWVZGS-HZPDHXFCSA-N 2 2 350.463 0.945 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450977 854483664 /nfs/dbraw/zinc/48/36/64/854483664.db2.gz IBGKQWMVOWVZGS-HZPDHXFCSA-N 2 2 350.463 0.945 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526356 854651605 /nfs/dbraw/zinc/65/16/05/854651605.db2.gz JKAAPMICTDAUBN-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526356 854651609 /nfs/dbraw/zinc/65/16/09/854651609.db2.gz JKAAPMICTDAUBN-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526356 854651616 /nfs/dbraw/zinc/65/16/16/854651616.db2.gz JKAAPMICTDAUBN-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526356 854651623 /nfs/dbraw/zinc/65/16/23/854651623.db2.gz JKAAPMICTDAUBN-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803471 855247883 /nfs/dbraw/zinc/24/78/83/855247883.db2.gz ZCBHYVGCBFRKEN-NXHRZFHOSA-N 2 2 351.491 0.736 20 30 FCEDLP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590615 855351314 /nfs/dbraw/zinc/35/13/14/855351314.db2.gz MQSXNWVFSKFAGL-RCCFBDPRSA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590615 855351315 /nfs/dbraw/zinc/35/13/15/855351315.db2.gz MQSXNWVFSKFAGL-RCCFBDPRSA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590615 855351318 /nfs/dbraw/zinc/35/13/18/855351318.db2.gz MQSXNWVFSKFAGL-RCCFBDPRSA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590615 855351321 /nfs/dbraw/zinc/35/13/21/855351321.db2.gz MQSXNWVFSKFAGL-RCCFBDPRSA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789308 855479187 /nfs/dbraw/zinc/47/91/87/855479187.db2.gz GWJUOBCFQWBNMH-ZWKOTPCHSA-N 2 2 351.491 0.977 20 30 FCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789308 855479194 /nfs/dbraw/zinc/47/91/94/855479194.db2.gz GWJUOBCFQWBNMH-ZWKOTPCHSA-N 2 2 351.491 0.977 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419853631 246323757 /nfs/dbraw/zinc/32/37/57/246323757.db2.gz FFHXFFSEQHNDOR-SFHVURJKSA-N 2 2 369.469 0.318 20 30 FCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000424142902 247171414 /nfs/dbraw/zinc/17/14/14/247171414.db2.gz IWXJCAXHSDHZPU-FUHWJXTLSA-N 2 2 360.458 0.592 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000181069614 209106439 /nfs/dbraw/zinc/10/64/39/209106439.db2.gz VVUIVXKDGYEUPT-UHFFFAOYSA-N 2 2 351.476 0.600 20 30 FCEDLP C[NH+]1CCN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000120387059 208382610 /nfs/dbraw/zinc/38/26/10/208382610.db2.gz AZUINHGKGRDKEF-UHFFFAOYSA-N 2 2 355.486 0.840 20 30 FCEDLP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000120387059 208382614 /nfs/dbraw/zinc/38/26/14/208382614.db2.gz AZUINHGKGRDKEF-UHFFFAOYSA-N 2 2 355.486 0.840 20 30 FCEDLP CN(C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000109322443 229165650 /nfs/dbraw/zinc/16/56/50/229165650.db2.gz IFPJAGIBQOODNP-UHFFFAOYSA-N 2 2 360.458 0.901 20 30 FCEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000328667719 488928589 /nfs/dbraw/zinc/92/85/89/488928589.db2.gz DQXZFRJQKCHAJX-UHFFFAOYSA-N 2 2 359.449 0.983 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111048 488482037 /nfs/dbraw/zinc/48/20/37/488482037.db2.gz ACZIDWQNPMEZMK-IEBWSBKVSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111048 488482039 /nfs/dbraw/zinc/48/20/39/488482039.db2.gz ACZIDWQNPMEZMK-IEBWSBKVSA-N 2 2 372.469 0.536 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000103150815 488500079 /nfs/dbraw/zinc/50/00/79/488500079.db2.gz JUIYHSDETLCRKL-SFHVURJKSA-N 2 2 372.469 0.538 20 30 FCEDLP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000554650917 491215945 /nfs/dbraw/zinc/21/59/45/491215945.db2.gz ORLSCAXIPRCEKK-QGZVFWFLSA-N 2 2 357.458 0.474 20 30 FCEDLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329271229 488988356 /nfs/dbraw/zinc/98/83/56/488988356.db2.gz HXEGTJMLYKTVQX-MRXNPFEDSA-N 2 2 363.506 0.671 20 30 FCEDLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329271229 488988360 /nfs/dbraw/zinc/98/83/60/488988360.db2.gz HXEGTJMLYKTVQX-MRXNPFEDSA-N 2 2 363.506 0.671 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)C3CCOCC3)CC2)CC1 ZINC000329474324 489007972 /nfs/dbraw/zinc/00/79/72/489007972.db2.gz STBADIPRWJPBJE-SFHVURJKSA-N 2 2 368.522 0.836 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000329745722 489032297 /nfs/dbraw/zinc/03/22/97/489032297.db2.gz RKHHRMNYWFZIDF-OAHLLOKOSA-N 2 2 361.446 0.407 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000329745722 489032298 /nfs/dbraw/zinc/03/22/98/489032298.db2.gz RKHHRMNYWFZIDF-OAHLLOKOSA-N 2 2 361.446 0.407 20 30 FCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330033308 489062388 /nfs/dbraw/zinc/06/23/88/489062388.db2.gz VLJLYJATRBFBLV-MRXNPFEDSA-N 2 2 353.511 0.333 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330035094 489062917 /nfs/dbraw/zinc/06/29/17/489062917.db2.gz XAVIZFVEKCOOCP-DLBZAZTESA-N 2 2 362.478 0.977 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330035094 489062919 /nfs/dbraw/zinc/06/29/19/489062919.db2.gz XAVIZFVEKCOOCP-DLBZAZTESA-N 2 2 362.478 0.977 20 30 FCEDLP CN(CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CC[NH+](C)C ZINC000289479229 489070531 /nfs/dbraw/zinc/07/05/31/489070531.db2.gz RPKBGRKKKIBWSG-UHFFFAOYSA-N 2 2 367.519 0.542 20 30 FCEDLP CN(CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CC[NH+](C)C ZINC000289479229 489070533 /nfs/dbraw/zinc/07/05/33/489070533.db2.gz RPKBGRKKKIBWSG-UHFFFAOYSA-N 2 2 367.519 0.542 20 30 FCEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000330652027 489127759 /nfs/dbraw/zinc/12/77/59/489127759.db2.gz LCYIPMKCBVAITR-HOTGVXAUSA-N 2 2 369.510 0.152 20 30 FCEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000330652027 489127762 /nfs/dbraw/zinc/12/77/62/489127762.db2.gz LCYIPMKCBVAITR-HOTGVXAUSA-N 2 2 369.510 0.152 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334004067 489265780 /nfs/dbraw/zinc/26/57/80/489265780.db2.gz SPSLDWXLMFPIQU-HRCADAONSA-N 2 2 351.495 0.345 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334004067 489265782 /nfs/dbraw/zinc/26/57/82/489265782.db2.gz SPSLDWXLMFPIQU-HRCADAONSA-N 2 2 351.495 0.345 20 30 FCEDLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420100122 489911977 /nfs/dbraw/zinc/91/19/77/489911977.db2.gz CBBRKWSWNXUGFQ-MAUKXSAKSA-N 2 2 369.469 0.459 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420143454 489928558 /nfs/dbraw/zinc/92/85/58/489928558.db2.gz XMCWEVKIEMRKII-UHFFFAOYSA-N 2 2 367.453 0.238 20 30 FCEDLP Cc1nc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000571139990 491287956 /nfs/dbraw/zinc/28/79/56/491287956.db2.gz LYRYBXKXGOIRGZ-UHFFFAOYSA-N 2 2 370.501 0.936 20 30 FCEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571318605 491300204 /nfs/dbraw/zinc/30/02/04/491300204.db2.gz JAQYQEJDAJAEGN-UHFFFAOYSA-N 2 2 365.503 0.296 20 30 FCEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571318605 491300205 /nfs/dbraw/zinc/30/02/05/491300205.db2.gz JAQYQEJDAJAEGN-UHFFFAOYSA-N 2 2 365.503 0.296 20 30 FCEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170874 490932035 /nfs/dbraw/zinc/93/20/35/490932035.db2.gz JCXCWBDCZFZRPJ-IBGZPJMESA-N 2 2 373.501 0.621 20 30 FCEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170874 490932038 /nfs/dbraw/zinc/93/20/38/490932038.db2.gz JCXCWBDCZFZRPJ-IBGZPJMESA-N 2 2 373.501 0.621 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C[NH3+])C1 ZINC000573461136 491435300 /nfs/dbraw/zinc/43/53/00/491435300.db2.gz RQQXQGXAPNFNBO-CYBMUJFWSA-N 2 2 357.393 0.990 20 30 FCEDLP CC(=O)N1CC[NH+](Cc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)CC1 ZINC000567263002 491495169 /nfs/dbraw/zinc/49/51/69/491495169.db2.gz KYYMTJRYAKGINT-FQEVSTJZSA-N 2 2 373.501 0.969 20 30 FCEDLP CC(=O)N1CC[NH+](Cc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)CC1 ZINC000567263002 491495170 /nfs/dbraw/zinc/49/51/70/491495170.db2.gz KYYMTJRYAKGINT-FQEVSTJZSA-N 2 2 373.501 0.969 20 30 FCEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000580435391 491731162 /nfs/dbraw/zinc/73/11/62/491731162.db2.gz XPLINXJEOMGLEG-MSOLQXFVSA-N 2 2 363.502 0.999 20 30 FCEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(OC)c1 ZINC000580435391 491731163 /nfs/dbraw/zinc/73/11/63/491731163.db2.gz XPLINXJEOMGLEG-MSOLQXFVSA-N 2 2 363.502 0.999 20 30 FCEDLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601580732 491936138 /nfs/dbraw/zinc/93/61/38/491936138.db2.gz AJVHKWRTUFRIBC-RHSMWYFYSA-N 2 2 355.442 0.151 20 30 FCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000602989372 492010477 /nfs/dbraw/zinc/01/04/77/492010477.db2.gz NASIZNQOPZEDKD-KRWDZBQOSA-N 2 2 360.458 0.198 20 30 FCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000602989372 492010479 /nfs/dbraw/zinc/01/04/79/492010479.db2.gz NASIZNQOPZEDKD-KRWDZBQOSA-N 2 2 360.458 0.198 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCN(CC#N)CC1 ZINC000609340396 492206411 /nfs/dbraw/zinc/20/64/11/492206411.db2.gz SDOHEHNVHSYBBH-UHFFFAOYSA-N 2 2 350.511 0.642 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCN(CC#N)CC1 ZINC000609340396 492206412 /nfs/dbraw/zinc/20/64/12/492206412.db2.gz SDOHEHNVHSYBBH-UHFFFAOYSA-N 2 2 350.511 0.642 20 30 FCEDLP N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429264 492288125 /nfs/dbraw/zinc/28/81/25/492288125.db2.gz UODJQIMLCWAWKL-ZIFCJYIRSA-N 2 2 371.460 0.686 20 30 FCEDLP N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429264 492288127 /nfs/dbraw/zinc/28/81/27/492288127.db2.gz UODJQIMLCWAWKL-ZIFCJYIRSA-N 2 2 371.460 0.686 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000672354888 493759015 /nfs/dbraw/zinc/75/90/15/493759015.db2.gz IDJGPFDZOQGAKJ-KRWDZBQOSA-N 2 2 364.490 0.076 20 30 FCEDLP C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262407183 526435939 /nfs/dbraw/zinc/43/59/39/526435939.db2.gz OSKNLQGNPUHPFN-IAGOWNOFSA-N 2 2 366.531 0.889 20 30 FCEDLP C#CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905719 527106703 /nfs/dbraw/zinc/10/67/03/527106703.db2.gz KVUOXOOIBAEAJF-SFHVURJKSA-N 2 2 357.454 0.721 20 30 FCEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC1CCN(C(C)=O)CC1 ZINC000262185383 528806781 /nfs/dbraw/zinc/80/67/81/528806781.db2.gz FGEPMPDHPWBKKP-UHFFFAOYSA-N 2 2 353.511 0.663 20 30 FCEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC1CCN(C(C)=O)CC1 ZINC000262185383 528806786 /nfs/dbraw/zinc/80/67/86/528806786.db2.gz FGEPMPDHPWBKKP-UHFFFAOYSA-N 2 2 353.511 0.663 20 30 FCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823919335 609255927 /nfs/dbraw/zinc/25/59/27/609255927.db2.gz CMKJVLLQBLQESI-UHFFFAOYSA-N 2 2 355.446 0.723 20 30 FCEDLP COCCN(C)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cn1 ZINC000790164095 668872378 /nfs/dbraw/zinc/87/23/78/668872378.db2.gz LJJILXLAGKHQFR-UHFFFAOYSA-N 2 2 352.508 0.914 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386534 675796641 /nfs/dbraw/zinc/79/66/41/675796641.db2.gz ZAZWWIUYCRFYMD-VZEFYGNVSA-N 2 2 362.499 0.963 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@H+]1C ZINC001047386534 675796645 /nfs/dbraw/zinc/79/66/45/675796645.db2.gz ZAZWWIUYCRFYMD-VZEFYGNVSA-N 2 2 362.499 0.963 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001047386534 675796647 /nfs/dbraw/zinc/79/66/47/675796647.db2.gz ZAZWWIUYCRFYMD-VZEFYGNVSA-N 2 2 362.499 0.963 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001047386534 675796650 /nfs/dbraw/zinc/79/66/50/675796650.db2.gz ZAZWWIUYCRFYMD-VZEFYGNVSA-N 2 2 362.499 0.963 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC001021883151 1170244222 /nfs/dbraw/zinc/24/42/22/1170244222.db2.gz AAQTUNQAZWZMGN-DLBZAZTESA-N 2 2 369.469 0.357 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367053 1170649679 /nfs/dbraw/zinc/64/96/79/1170649679.db2.gz FUHAPYOIRTVDTH-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001691287271 1171042170 /nfs/dbraw/zinc/04/21/70/1171042170.db2.gz QYCUAQLWUAECLK-YQVWRLOYSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001691287271 1171042180 /nfs/dbraw/zinc/04/21/80/1171042180.db2.gz QYCUAQLWUAECLK-YQVWRLOYSA-N 2 2 356.470 0.936 20 30 FCEDLP C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC#N)n1cc[nH+]c1 ZINC001691372767 1171226012 /nfs/dbraw/zinc/22/60/12/1171226012.db2.gz RCPMKKJGPDLGCG-OAGGEKHMSA-N 2 2 360.462 0.691 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001088630925 1192729332 /nfs/dbraw/zinc/72/93/32/1192729332.db2.gz IDWVYHOGIWJXHN-NJAFHUGGSA-N 2 2 356.470 0.562 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001088630925 1192729334 /nfs/dbraw/zinc/72/93/34/1192729334.db2.gz IDWVYHOGIWJXHN-NJAFHUGGSA-N 2 2 356.470 0.562 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001088630925 1192729337 /nfs/dbraw/zinc/72/93/37/1192729337.db2.gz IDWVYHOGIWJXHN-NJAFHUGGSA-N 2 2 356.470 0.562 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001088630925 1192729338 /nfs/dbraw/zinc/72/93/38/1192729338.db2.gz IDWVYHOGIWJXHN-NJAFHUGGSA-N 2 2 356.470 0.562 20 30 FCEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908550 1186569931 /nfs/dbraw/zinc/56/99/31/1186569931.db2.gz IVPVXBXRQAHXOY-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908550 1186569933 /nfs/dbraw/zinc/56/99/33/1186569933.db2.gz IVPVXBXRQAHXOY-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)cnc12 ZINC000895688462 1189874705 /nfs/dbraw/zinc/87/47/05/1189874705.db2.gz SFZBOFSWSGNSQP-SFHVURJKSA-N 2 2 369.473 0.487 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100971 1224139857 /nfs/dbraw/zinc/13/98/57/1224139857.db2.gz DMRBGMRPMKNOES-GBESFXJTSA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100971 1224139860 /nfs/dbraw/zinc/13/98/60/1224139860.db2.gz DMRBGMRPMKNOES-GBESFXJTSA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100971 1224139862 /nfs/dbraw/zinc/13/98/62/1224139862.db2.gz DMRBGMRPMKNOES-GBESFXJTSA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218100971 1224139866 /nfs/dbraw/zinc/13/98/66/1224139866.db2.gz DMRBGMRPMKNOES-GBESFXJTSA-N 2 2 363.502 0.811 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218650906 1224191511 /nfs/dbraw/zinc/19/15/11/1224191511.db2.gz ONLYCRLZIKJKTK-XYVMCAHJSA-N 2 2 360.458 0.638 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218650906 1224191515 /nfs/dbraw/zinc/19/15/15/1224191515.db2.gz ONLYCRLZIKJKTK-XYVMCAHJSA-N 2 2 360.458 0.638 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462124 1194506222 /nfs/dbraw/zinc/50/62/22/1194506222.db2.gz IQPJDWMKMSCHFM-USXIJHARSA-N 2 2 357.458 0.282 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462124 1194506229 /nfs/dbraw/zinc/50/62/29/1194506229.db2.gz IQPJDWMKMSCHFM-USXIJHARSA-N 2 2 357.458 0.282 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077026658 1195157264 /nfs/dbraw/zinc/15/72/64/1195157264.db2.gz DIGZOGJSNMNNRV-MTQWCTHYSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077026658 1195157267 /nfs/dbraw/zinc/15/72/67/1195157267.db2.gz DIGZOGJSNMNNRV-MTQWCTHYSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077026658 1195157271 /nfs/dbraw/zinc/15/72/71/1195157271.db2.gz DIGZOGJSNMNNRV-MTQWCTHYSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077026658 1195157273 /nfs/dbraw/zinc/15/72/73/1195157273.db2.gz DIGZOGJSNMNNRV-MTQWCTHYSA-N 2 2 355.482 0.930 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023881 1195161937 /nfs/dbraw/zinc/16/19/37/1195161937.db2.gz XZLRPBYZFXJNBX-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023881 1195161945 /nfs/dbraw/zinc/16/19/45/1195161945.db2.gz XZLRPBYZFXJNBX-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023881 1195161955 /nfs/dbraw/zinc/16/19/55/1195161955.db2.gz XZLRPBYZFXJNBX-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023881 1195161960 /nfs/dbraw/zinc/16/19/60/1195161960.db2.gz XZLRPBYZFXJNBX-BNEJOLLZSA-N 2 2 372.469 0.568 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000591740007 1196526703 /nfs/dbraw/zinc/52/67/03/1196526703.db2.gz AKHXNNRZJZLKRE-RTBURBONSA-N 2 2 374.485 0.294 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001085230027 1197715394 /nfs/dbraw/zinc/71/53/94/1197715394.db2.gz XDXBANVVCNTGRS-ZACQAIPSSA-N 2 2 371.489 0.623 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001085230027 1197715403 /nfs/dbraw/zinc/71/54/03/1197715403.db2.gz XDXBANVVCNTGRS-ZACQAIPSSA-N 2 2 371.489 0.623 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)nn1 ZINC001085230242 1197717539 /nfs/dbraw/zinc/71/75/39/1197717539.db2.gz KVBRMRPOZBSQLD-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)nn1 ZINC001085230242 1197717543 /nfs/dbraw/zinc/71/75/43/1197717543.db2.gz KVBRMRPOZBSQLD-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086200980 1198249519 /nfs/dbraw/zinc/24/95/19/1198249519.db2.gz BVTFVDHWKSNXKS-JJTUDDRGSA-N 2 2 371.485 0.795 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396587 1200241785 /nfs/dbraw/zinc/24/17/85/1200241785.db2.gz HBYAGUNOOKBAHE-BDXSIMOUSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396587 1200241789 /nfs/dbraw/zinc/24/17/89/1200241789.db2.gz HBYAGUNOOKBAHE-BDXSIMOUSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396587 1200241798 /nfs/dbraw/zinc/24/17/98/1200241798.db2.gz HBYAGUNOOKBAHE-BDXSIMOUSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396587 1200241804 /nfs/dbraw/zinc/24/18/04/1200241804.db2.gz HBYAGUNOOKBAHE-BDXSIMOUSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399303 1200248401 /nfs/dbraw/zinc/24/84/01/1200248401.db2.gz FSSOCQOVYVGXBT-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399303 1200248410 /nfs/dbraw/zinc/24/84/10/1200248410.db2.gz FSSOCQOVYVGXBT-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399303 1200248417 /nfs/dbraw/zinc/24/84/17/1200248417.db2.gz FSSOCQOVYVGXBT-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399303 1200248428 /nfs/dbraw/zinc/24/84/28/1200248428.db2.gz FSSOCQOVYVGXBT-BDXSIMOUSA-N 2 2 360.502 0.720 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446068 1200290799 /nfs/dbraw/zinc/29/07/99/1200290799.db2.gz INWVYKNDCQDWSO-BARDWOONSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446068 1200290806 /nfs/dbraw/zinc/29/08/06/1200290806.db2.gz INWVYKNDCQDWSO-BARDWOONSA-N 2 2 365.478 0.060 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560736 1200384903 /nfs/dbraw/zinc/38/49/03/1200384903.db2.gz OZZFSPTWYWQGQT-SQNIBIBYSA-N 2 2 374.529 0.969 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560736 1200384908 /nfs/dbraw/zinc/38/49/08/1200384908.db2.gz OZZFSPTWYWQGQT-SQNIBIBYSA-N 2 2 374.529 0.969 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001109581092 1200401333 /nfs/dbraw/zinc/40/13/33/1200401333.db2.gz JCVFVSQSBLCDPX-QZWWFDLISA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001109581092 1200401338 /nfs/dbraw/zinc/40/13/38/1200401338.db2.gz JCVFVSQSBLCDPX-QZWWFDLISA-N 2 2 357.458 0.782 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053768 1200740355 /nfs/dbraw/zinc/74/03/55/1200740355.db2.gz WKZKDJDGBCQPLB-LAVFITLUSA-N 2 2 371.485 0.861 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053768 1200740360 /nfs/dbraw/zinc/74/03/60/1200740360.db2.gz WKZKDJDGBCQPLB-LAVFITLUSA-N 2 2 371.485 0.861 20 30 FCEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CCC1 ZINC001219812204 1224630448 /nfs/dbraw/zinc/63/04/48/1224630448.db2.gz RVUGHAFXJUQBCD-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CCC1 ZINC001219812204 1224630452 /nfs/dbraw/zinc/63/04/52/1224630452.db2.gz RVUGHAFXJUQBCD-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CCC1 ZINC001219812204 1224630455 /nfs/dbraw/zinc/63/04/55/1224630455.db2.gz RVUGHAFXJUQBCD-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CCC1 ZINC001219812204 1224630457 /nfs/dbraw/zinc/63/04/57/1224630457.db2.gz RVUGHAFXJUQBCD-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552345 1200779776 /nfs/dbraw/zinc/77/97/76/1200779776.db2.gz SIKNCSQNIKNPBE-VCBZYWHSSA-N 2 2 359.474 0.861 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433949 1201315338 /nfs/dbraw/zinc/31/53/38/1201315338.db2.gz ZTKJSPRZNHSUOD-CVEARBPZSA-N 2 2 359.434 0.027 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433949 1201315349 /nfs/dbraw/zinc/31/53/49/1201315349.db2.gz ZTKJSPRZNHSUOD-CVEARBPZSA-N 2 2 359.434 0.027 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129460719 1201328017 /nfs/dbraw/zinc/32/80/17/1201328017.db2.gz MXFPUYCMHCDWQR-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129460719 1201328024 /nfs/dbraw/zinc/32/80/24/1201328024.db2.gz MXFPUYCMHCDWQR-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1n1ccnn1 ZINC001129907165 1201421848 /nfs/dbraw/zinc/42/18/48/1201421848.db2.gz UQROJDJRBJRXKP-CVEARBPZSA-N 2 2 354.414 0.289 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918968 1201440641 /nfs/dbraw/zinc/44/06/41/1201440641.db2.gz NPPFQSUMZVZKJN-OLMNPRSZSA-N 2 2 367.457 0.480 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918968 1201440643 /nfs/dbraw/zinc/44/06/43/1201440643.db2.gz NPPFQSUMZVZKJN-OLMNPRSZSA-N 2 2 367.457 0.480 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000914 1201467569 /nfs/dbraw/zinc/46/75/69/1201467569.db2.gz WCBSNSIUBPKHKN-BMFZPTHFSA-N 2 2 353.430 0.486 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140334 1201516140 /nfs/dbraw/zinc/51/61/40/1201516140.db2.gz WCCIQWPRQRRZGG-SQNIBIBYSA-N 2 2 367.457 0.341 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130223449 1201552110 /nfs/dbraw/zinc/55/21/10/1201552110.db2.gz UVVLBCANVPRZCF-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130223449 1201552114 /nfs/dbraw/zinc/55/21/14/1201552114.db2.gz UVVLBCANVPRZCF-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223449 1201552118 /nfs/dbraw/zinc/55/21/18/1201552118.db2.gz UVVLBCANVPRZCF-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223449 1201552122 /nfs/dbraw/zinc/55/21/22/1201552122.db2.gz UVVLBCANVPRZCF-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001130293517 1201579577 /nfs/dbraw/zinc/57/95/77/1201579577.db2.gz YAJQGQBREDBPRU-XLIONFOSSA-N 2 2 371.485 0.772 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130622152 1202734402 /nfs/dbraw/zinc/73/44/02/1202734402.db2.gz TWBQLNMIZRFNNB-VDZJLULYSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cc[nH+]c3)n2)O1 ZINC001130794089 1202794971 /nfs/dbraw/zinc/79/49/71/1202794971.db2.gz LWNNMNQFXUNLPQ-UONOGXRCSA-N 2 2 357.418 0.151 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130811641 1202804350 /nfs/dbraw/zinc/80/43/50/1202804350.db2.gz BKQIRWRFRARTTE-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817556 1202808660 /nfs/dbraw/zinc/80/86/60/1202808660.db2.gz SKWQLBALMUHFDU-QLFBSQMISA-N 2 2 360.462 0.206 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817556 1202808661 /nfs/dbraw/zinc/80/86/61/1202808661.db2.gz SKWQLBALMUHFDU-QLFBSQMISA-N 2 2 360.462 0.206 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233876 1224811792 /nfs/dbraw/zinc/81/17/92/1224811792.db2.gz KKZUEJGYIBFFRX-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233876 1224811795 /nfs/dbraw/zinc/81/17/95/1224811795.db2.gz KKZUEJGYIBFFRX-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635206 1204791700 /nfs/dbraw/zinc/79/17/00/1204791700.db2.gz HTHFSJIQMRIJHV-QINHECLXSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635206 1204791704 /nfs/dbraw/zinc/79/17/04/1204791704.db2.gz HTHFSJIQMRIJHV-QINHECLXSA-N 2 2 371.485 0.910 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148305252 1204826832 /nfs/dbraw/zinc/82/68/32/1204826832.db2.gz UMSSBIDKXXXQST-BZUAXINKSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148305252 1204826834 /nfs/dbraw/zinc/82/68/34/1204826834.db2.gz UMSSBIDKXXXQST-BZUAXINKSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995952 1204886827 /nfs/dbraw/zinc/88/68/27/1204886827.db2.gz FSSTUBLWKKXXDS-YQQAZPJKSA-N 2 2 352.442 0.781 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050244 1205125094 /nfs/dbraw/zinc/12/50/94/1205125094.db2.gz OURYLVGGJZFRBV-ALKREAHSSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050244 1205125104 /nfs/dbraw/zinc/12/51/04/1205125104.db2.gz OURYLVGGJZFRBV-ALKREAHSSA-N 2 2 357.458 0.519 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CC1 ZINC001092299826 1205233888 /nfs/dbraw/zinc/23/38/88/1205233888.db2.gz JPPHMHBCFJGNTH-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CC1 ZINC001092299826 1205233892 /nfs/dbraw/zinc/23/38/92/1205233892.db2.gz JPPHMHBCFJGNTH-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnc(CC)o2)C[C@H]1C ZINC001092688879 1205347652 /nfs/dbraw/zinc/34/76/52/1205347652.db2.gz FDKWPMLSPLWHNK-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(CC)o2)C[C@H]1C ZINC001092688879 1205347656 /nfs/dbraw/zinc/34/76/56/1205347656.db2.gz FDKWPMLSPLWHNK-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnc(CC)o2)C[C@H]1C ZINC001092688879 1205347659 /nfs/dbraw/zinc/34/76/59/1205347659.db2.gz FDKWPMLSPLWHNK-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnc(CC)o2)C[C@H]1C ZINC001092688879 1205347662 /nfs/dbraw/zinc/34/76/62/1205347662.db2.gz FDKWPMLSPLWHNK-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152393 1206163879 /nfs/dbraw/zinc/16/38/79/1206163879.db2.gz RMCSTLXAWFMENZ-NEWSRXKRSA-N 2 2 368.481 0.833 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152393 1206163886 /nfs/dbraw/zinc/16/38/86/1206163886.db2.gz RMCSTLXAWFMENZ-NEWSRXKRSA-N 2 2 368.481 0.833 20 30 FCEDLP Cc1c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)ccc2c[nH+]cn21 ZINC001188406034 1207454183 /nfs/dbraw/zinc/45/41/83/1207454183.db2.gz YYTGQLQPURTAAM-WMLDXEAASA-N 2 2 366.425 0.429 20 30 FCEDLP Cc1c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)ccc2c[nH+]cn21 ZINC001188406034 1207454184 /nfs/dbraw/zinc/45/41/84/1207454184.db2.gz YYTGQLQPURTAAM-WMLDXEAASA-N 2 2 366.425 0.429 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561410 1207462807 /nfs/dbraw/zinc/46/28/07/1207462807.db2.gz FCPSAHRAMGSQOF-ZWKOTPCHSA-N 2 2 371.485 0.925 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561410 1207462811 /nfs/dbraw/zinc/46/28/11/1207462811.db2.gz FCPSAHRAMGSQOF-ZWKOTPCHSA-N 2 2 371.485 0.925 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568252 1207464336 /nfs/dbraw/zinc/46/43/36/1207464336.db2.gz HNYQLXAGIWQARV-WMLDXEAASA-N 2 2 351.410 0.230 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188568252 1207464338 /nfs/dbraw/zinc/46/43/38/1207464338.db2.gz HNYQLXAGIWQARV-WMLDXEAASA-N 2 2 351.410 0.230 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244688 1207926873 /nfs/dbraw/zinc/92/68/73/1207926873.db2.gz WFHYHQUGNYLNML-HZPDHXFCSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244688 1207926877 /nfs/dbraw/zinc/92/68/77/1207926877.db2.gz WFHYHQUGNYLNML-HZPDHXFCSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244688 1207926881 /nfs/dbraw/zinc/92/68/81/1207926881.db2.gz WFHYHQUGNYLNML-HZPDHXFCSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194244688 1207926885 /nfs/dbraw/zinc/92/68/85/1207926885.db2.gz WFHYHQUGNYLNML-HZPDHXFCSA-N 2 2 368.522 0.303 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314862 1208071671 /nfs/dbraw/zinc/07/16/71/1208071671.db2.gz ZJETWEVFKOYNKI-IYWMVGAKSA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314862 1208071673 /nfs/dbraw/zinc/07/16/73/1208071673.db2.gz ZJETWEVFKOYNKI-IYWMVGAKSA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314862 1208071675 /nfs/dbraw/zinc/07/16/75/1208071675.db2.gz ZJETWEVFKOYNKI-IYWMVGAKSA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314862 1208071678 /nfs/dbraw/zinc/07/16/78/1208071678.db2.gz ZJETWEVFKOYNKI-IYWMVGAKSA-N 2 2 371.481 0.143 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493578 1208171270 /nfs/dbraw/zinc/17/12/70/1208171270.db2.gz SQAJZQXCAKYGMQ-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493578 1208171273 /nfs/dbraw/zinc/17/12/73/1208171273.db2.gz SQAJZQXCAKYGMQ-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493578 1208171280 /nfs/dbraw/zinc/17/12/80/1208171280.db2.gz SQAJZQXCAKYGMQ-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493578 1208171282 /nfs/dbraw/zinc/17/12/82/1208171282.db2.gz SQAJZQXCAKYGMQ-BRWVUGGUSA-N 2 2 368.522 0.303 20 30 FCEDLP C#C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000775791968 1208205024 /nfs/dbraw/zinc/20/50/24/1208205024.db2.gz PGBVZWGPYSOYFF-VQTJNVASSA-N 2 2 371.481 0.905 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cnn(C)c1 ZINC001691700656 1208417331 /nfs/dbraw/zinc/41/73/31/1208417331.db2.gz HXRBBCJHSHMKCF-FUHWJXTLSA-N 2 2 370.457 0.691 20 30 FCEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000852100440 1209533350 /nfs/dbraw/zinc/53/33/50/1209533350.db2.gz HWENEIRTTCJJAM-SFHVURJKSA-N 2 2 355.446 0.403 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661221 1209583790 /nfs/dbraw/zinc/58/37/90/1209583790.db2.gz NOKHUYPUPGXHIT-AKHDSKFASA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661221 1209583796 /nfs/dbraw/zinc/58/37/96/1209583796.db2.gz NOKHUYPUPGXHIT-AKHDSKFASA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661221 1209583806 /nfs/dbraw/zinc/58/38/06/1209583806.db2.gz NOKHUYPUPGXHIT-AKHDSKFASA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661221 1209583813 /nfs/dbraw/zinc/58/38/13/1209583813.db2.gz NOKHUYPUPGXHIT-AKHDSKFASA-N 2 2 372.513 0.864 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110714814 1209733756 /nfs/dbraw/zinc/73/37/56/1209733756.db2.gz INWVYKNDCQDWSO-TUVASFSCSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110714814 1209733759 /nfs/dbraw/zinc/73/37/59/1209733759.db2.gz INWVYKNDCQDWSO-TUVASFSCSA-N 2 2 365.478 0.060 20 30 FCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC[C@H]3COc4ccccc4O3)cn2)CC1 ZINC000863200052 1209935333 /nfs/dbraw/zinc/93/53/33/1209935333.db2.gz SWJDSRQGWNUXHL-INIZCTEOSA-N 2 2 368.441 0.992 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000884217124 1210724047 /nfs/dbraw/zinc/72/40/47/1210724047.db2.gz FSJGDHHTYCVPBQ-INIZCTEOSA-N 2 2 367.490 0.973 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001691723205 1210845374 /nfs/dbraw/zinc/84/53/74/1210845374.db2.gz TVWOKENUMLVAOS-UNEWFSDZSA-N 2 2 357.458 0.082 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001691723205 1210845376 /nfs/dbraw/zinc/84/53/76/1210845376.db2.gz TVWOKENUMLVAOS-UNEWFSDZSA-N 2 2 357.458 0.082 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284485 1212246415 /nfs/dbraw/zinc/24/64/15/1212246415.db2.gz ZRAIGVSOWZNMLE-MMNPAVHPSA-N 2 2 369.469 0.621 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284485 1212246419 /nfs/dbraw/zinc/24/64/19/1212246419.db2.gz ZRAIGVSOWZNMLE-MMNPAVHPSA-N 2 2 369.469 0.621 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC000950390366 1212566689 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/nfs/dbraw/zinc/46/44/42/1225464442.db2.gz NMCKWQPROOJALQ-GVDBMIGSSA-N 2 2 360.502 0.531 20 30 FCEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001221786062 1225479930 /nfs/dbraw/zinc/47/99/30/1225479930.db2.gz BOMYYEPTARISPZ-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001221786062 1225479938 /nfs/dbraw/zinc/47/99/38/1225479938.db2.gz BOMYYEPTARISPZ-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001221786062 1225479942 /nfs/dbraw/zinc/47/99/42/1225479942.db2.gz BOMYYEPTARISPZ-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001221786062 1225479946 /nfs/dbraw/zinc/47/99/46/1225479946.db2.gz BOMYYEPTARISPZ-BPQIPLTHSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 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/nfs/dbraw/zinc/18/65/46/1221186546.db2.gz HNNBSGOXCYVPAM-GUXCAODWSA-N 2 2 371.485 0.461 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230338473 1226075308 /nfs/dbraw/zinc/07/53/08/1226075308.db2.gz QBJBQCGMLWICDD-BRWVUGGUSA-N 2 2 359.474 0.818 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001277711538 1226167076 /nfs/dbraw/zinc/16/70/76/1226167076.db2.gz JOOBHYQWMJOWBZ-KRWDZBQOSA-N 2 2 360.458 0.245 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277712372 1226167725 /nfs/dbraw/zinc/16/77/25/1226167725.db2.gz OYAAOHZYVKURTB-IAGOWNOFSA-N 2 2 360.458 0.112 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208597384 1223561892 /nfs/dbraw/zinc/56/18/92/1223561892.db2.gz NHPTYFHSPCSQPV-HBUWYVDXSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208597384 1223561895 /nfs/dbraw/zinc/56/18/95/1223561895.db2.gz NHPTYFHSPCSQPV-HBUWYVDXSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001208597384 1223561901 /nfs/dbraw/zinc/56/19/01/1223561901.db2.gz NHPTYFHSPCSQPV-HBUWYVDXSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001208597384 1223561904 /nfs/dbraw/zinc/56/19/04/1223561904.db2.gz NHPTYFHSPCSQPV-HBUWYVDXSA-N 2 2 367.469 0.275 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210180055 1223673169 /nfs/dbraw/zinc/67/31/69/1223673169.db2.gz XIKYWKBJAVRKLJ-KURKYZTESA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210180055 1223673173 /nfs/dbraw/zinc/67/31/73/1223673173.db2.gz XIKYWKBJAVRKLJ-KURKYZTESA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210180055 1223673176 /nfs/dbraw/zinc/67/31/76/1223673176.db2.gz XIKYWKBJAVRKLJ-KURKYZTESA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210180055 1223673180 /nfs/dbraw/zinc/67/31/80/1223673180.db2.gz XIKYWKBJAVRKLJ-KURKYZTESA-N 2 2 362.518 0.827 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448018 1223743458 /nfs/dbraw/zinc/74/34/58/1223743458.db2.gz UOPRXXJJGSOTDZ-ZIFCJYIRSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448018 1223743460 /nfs/dbraw/zinc/74/34/60/1223743460.db2.gz UOPRXXJJGSOTDZ-ZIFCJYIRSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211448018 1223743465 /nfs/dbraw/zinc/74/34/65/1223743465.db2.gz UOPRXXJJGSOTDZ-ZIFCJYIRSA-N 2 2 370.497 0.693 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211448018 1223743468 /nfs/dbraw/zinc/74/34/68/1223743468.db2.gz UOPRXXJJGSOTDZ-ZIFCJYIRSA-N 2 2 370.497 0.693 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213460685 1223801559 /nfs/dbraw/zinc/80/15/59/1223801559.db2.gz XUYXPGWIHQEWCO-IXDOHACOSA-N 2 2 366.506 0.343 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213460685 1223801561 /nfs/dbraw/zinc/80/15/61/1223801561.db2.gz XUYXPGWIHQEWCO-IXDOHACOSA-N 2 2 366.506 0.343 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914734 1223871414 /nfs/dbraw/zinc/87/14/14/1223871414.db2.gz UQJNKTOVCVAANB-RTBURBONSA-N 2 2 359.470 0.827 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914734 1223871415 /nfs/dbraw/zinc/87/14/15/1223871415.db2.gz UQJNKTOVCVAANB-RTBURBONSA-N 2 2 359.470 0.827 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215250972 1223985777 /nfs/dbraw/zinc/98/57/77/1223985777.db2.gz ILRNVEITAUYNQL-CRAIPNDOSA-N 2 2 365.437 0.672 20 30 FCEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974873343 1248155566 /nfs/dbraw/zinc/15/55/66/1248155566.db2.gz DDCGSJWVHBUPMD-SQNIBIBYSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974873343 1248155569 /nfs/dbraw/zinc/15/55/69/1248155569.db2.gz DDCGSJWVHBUPMD-SQNIBIBYSA-N 2 2 363.502 0.716 20 30 FCEDLP C=CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C)COC ZINC001328281150 1265521773 /nfs/dbraw/zinc/52/17/73/1265521773.db2.gz JFANWYQDDRCFKJ-MRXNPFEDSA-N 2 2 368.522 0.520 20 30 FCEDLP C=CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C)COC ZINC001328281150 1265521780 /nfs/dbraw/zinc/52/17/80/1265521780.db2.gz JFANWYQDDRCFKJ-MRXNPFEDSA-N 2 2 368.522 0.520 20 30 FCEDLP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022272 1252269936 /nfs/dbraw/zinc/26/99/36/1252269936.db2.gz UOEKHPHBZMFTSO-ARFHVFGLSA-N 2 2 355.446 0.864 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C#N ZINC001078012949 1255168565 /nfs/dbraw/zinc/16/85/65/1255168565.db2.gz JPDNIKXPGGMBAH-IAGOWNOFSA-N 2 2 370.453 0.324 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C#N ZINC001078012949 1255168568 /nfs/dbraw/zinc/16/85/68/1255168568.db2.gz JPDNIKXPGGMBAH-IAGOWNOFSA-N 2 2 370.453 0.324 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079130002 1255444002 /nfs/dbraw/zinc/44/40/02/1255444002.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079130002 1255444004 /nfs/dbraw/zinc/44/40/04/1255444004.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079130002 1255444009 /nfs/dbraw/zinc/44/40/09/1255444009.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 2 359.470 0.577 20 30 FCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079130002 1255444012 /nfs/dbraw/zinc/44/40/12/1255444012.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 2 359.470 0.577 20 30 FCEDLP C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001080935291 1256103303 /nfs/dbraw/zinc/10/33/03/1256103303.db2.gz PFUHNKXNCTUKJQ-HHXXYDBFSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001080935291 1256103309 /nfs/dbraw/zinc/10/33/09/1256103309.db2.gz PFUHNKXNCTUKJQ-HHXXYDBFSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001080935291 1256103315 /nfs/dbraw/zinc/10/33/15/1256103315.db2.gz PFUHNKXNCTUKJQ-HHXXYDBFSA-N 2 2 368.481 0.995 20 30 FCEDLP C#Cc1cccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001080935291 1256103323 /nfs/dbraw/zinc/10/33/23/1256103323.db2.gz PFUHNKXNCTUKJQ-HHXXYDBFSA-N 2 2 368.481 0.995 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368689 1256717153 /nfs/dbraw/zinc/71/71/53/1256717153.db2.gz KUTAVWFISVFMSG-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368689 1256717156 /nfs/dbraw/zinc/71/71/56/1256717156.db2.gz KUTAVWFISVFMSG-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368689 1256717158 /nfs/dbraw/zinc/71/71/58/1256717158.db2.gz KUTAVWFISVFMSG-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368689 1256717161 /nfs/dbraw/zinc/71/71/61/1256717161.db2.gz KUTAVWFISVFMSG-CGTJXYLNSA-N 2 2 360.433 0.964 20 30 FCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140249 1257388283 /nfs/dbraw/zinc/38/82/83/1257388283.db2.gz UYCDCKVEJXDEAT-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140249 1257388290 /nfs/dbraw/zinc/38/82/90/1257388290.db2.gz UYCDCKVEJXDEAT-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083887800 1257659961 /nfs/dbraw/zinc/65/99/61/1257659961.db2.gz MBLROIXARWGLBA-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083887800 1257659965 /nfs/dbraw/zinc/65/99/65/1257659965.db2.gz MBLROIXARWGLBA-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001084833219 1258380223 /nfs/dbraw/zinc/38/02/23/1258380223.db2.gz UCBJRIRPNZXRLL-IXDOHACOSA-N 2 2 357.458 0.511 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001084833219 1258380228 /nfs/dbraw/zinc/38/02/28/1258380228.db2.gz UCBJRIRPNZXRLL-IXDOHACOSA-N 2 2 357.458 0.511 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CC1 ZINC001088211957 1258735186 /nfs/dbraw/zinc/73/51/86/1258735186.db2.gz IDACOYBEHQNUKY-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CC1 ZINC001088211957 1258735189 /nfs/dbraw/zinc/73/51/89/1258735189.db2.gz IDACOYBEHQNUKY-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543013 1259165277 /nfs/dbraw/zinc/16/52/77/1259165277.db2.gz DZWMRJNVWWMDPW-GUXCAODWSA-N 2 2 371.485 0.556 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543013 1259165280 /nfs/dbraw/zinc/16/52/80/1259165280.db2.gz DZWMRJNVWWMDPW-GUXCAODWSA-N 2 2 371.485 0.556 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001251840610 1259764260 /nfs/dbraw/zinc/76/42/60/1259764260.db2.gz RBMMCZRGVMMZMB-QGZVFWFLSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001251840610 1259764266 /nfs/dbraw/zinc/76/42/66/1259764266.db2.gz RBMMCZRGVMMZMB-QGZVFWFLSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001251840610 1259764272 /nfs/dbraw/zinc/76/42/72/1259764272.db2.gz RBMMCZRGVMMZMB-QGZVFWFLSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001251840610 1259764279 /nfs/dbraw/zinc/76/42/79/1259764279.db2.gz RBMMCZRGVMMZMB-QGZVFWFLSA-N 2 2 362.474 0.300 20 30 FCEDLP C=CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252461971 1259789479 /nfs/dbraw/zinc/78/94/79/1259789479.db2.gz CBCCUFSLZZXMGP-KRWDZBQOSA-N 2 2 364.490 0.854 20 30 FCEDLP C=CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252461971 1259789486 /nfs/dbraw/zinc/78/94/86/1259789486.db2.gz CBCCUFSLZZXMGP-KRWDZBQOSA-N 2 2 364.490 0.854 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001268320243 1260425389 /nfs/dbraw/zinc/42/53/89/1260425389.db2.gz FWZUZLAUWQXPRV-BRWVUGGUSA-N 2 2 353.426 0.662 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cccc(C#N)n3)CC2)CC1 ZINC001326037728 1265049996 /nfs/dbraw/zinc/04/99/96/1265049996.db2.gz LGZVOGHJUFZUSB-UHFFFAOYSA-N 2 2 370.457 0.567 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2CC(C)C)CC1 ZINC001524890660 1266730654 /nfs/dbraw/zinc/73/06/54/1266730654.db2.gz HWLWJMOJNIAWHA-UHFFFAOYSA-N 2 2 374.533 0.861 20 30 FCEDLP C#CC[NH2+]CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001343376743 1269884464 /nfs/dbraw/zinc/88/44/64/1269884464.db2.gz MBMHPFHEFNQHGW-UHFFFAOYSA-N 2 2 362.405 0.648 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001574707481 1271498012 /nfs/dbraw/zinc/49/80/12/1271498012.db2.gz TTYQWXTYTUGIIN-IRXDYDNUSA-N 2 2 358.490 0.537 20 30 FCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752926831 1290615774 /nfs/dbraw/zinc/61/57/74/1290615774.db2.gz ZRUFCJZBPXQPEN-BZUAXINKSA-N 2 2 357.458 0.481 20 30 FCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752926831 1290615784 /nfs/dbraw/zinc/61/57/84/1290615784.db2.gz ZRUFCJZBPXQPEN-BZUAXINKSA-N 2 2 357.458 0.481 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001689296393 1294721477 /nfs/dbraw/zinc/72/14/77/1294721477.db2.gz IFSUZTYDFHBWIW-PVAVHDDUSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001689296393 1294721487 /nfs/dbraw/zinc/72/14/87/1294721487.db2.gz IFSUZTYDFHBWIW-PVAVHDDUSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001689296393 1294721496 /nfs/dbraw/zinc/72/14/96/1294721496.db2.gz IFSUZTYDFHBWIW-PVAVHDDUSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001689296393 1294721503 /nfs/dbraw/zinc/72/15/03/1294721503.db2.gz IFSUZTYDFHBWIW-PVAVHDDUSA-N 2 2 361.490 0.612 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007426 838212044 /nfs/dbraw/zinc/21/20/44/838212044.db2.gz MQLCXCWQQKYCLR-GVDBMIGSSA-N 2 2 360.483 0.623 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007426 838212055 /nfs/dbraw/zinc/21/20/55/838212055.db2.gz MQLCXCWQQKYCLR-GVDBMIGSSA-N 2 2 360.483 0.623 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2OC)CC1 ZINC001082384483 840376370 /nfs/dbraw/zinc/37/63/70/840376370.db2.gz YPNQIJZRCIBBKO-IAGOWNOFSA-N 2 2 362.499 0.804 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2OC)CC1 ZINC001082384483 840376381 /nfs/dbraw/zinc/37/63/81/840376381.db2.gz YPNQIJZRCIBBKO-IAGOWNOFSA-N 2 2 362.499 0.804 20 30 FCEDLP C=CCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024719 845423062 /nfs/dbraw/zinc/42/30/62/845423062.db2.gz OHNCXMDQVCYOQR-NUJGCVRESA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024719 845423068 /nfs/dbraw/zinc/42/30/68/845423068.db2.gz OHNCXMDQVCYOQR-NUJGCVRESA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024719 845423070 /nfs/dbraw/zinc/42/30/70/845423070.db2.gz OHNCXMDQVCYOQR-NUJGCVRESA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024719 845423072 /nfs/dbraw/zinc/42/30/72/845423072.db2.gz OHNCXMDQVCYOQR-NUJGCVRESA-N 2 2 355.479 0.115 20 30 FCEDLP C=CCOC(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)CC1 ZINC001157565281 849981630 /nfs/dbraw/zinc/98/16/30/849981630.db2.gz YLNCWOUGEORYIJ-CABCVRRESA-N 2 2 350.463 0.703 20 30 FCEDLP C=CCSCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001180559418 851047802 /nfs/dbraw/zinc/04/78/02/851047802.db2.gz SHJCHAXEJKIDKZ-UHFFFAOYSA-N 2 2 368.547 0.602 20 30 FCEDLP C=CCSCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001180559418 851047809 /nfs/dbraw/zinc/04/78/09/851047809.db2.gz SHJCHAXEJKIDKZ-UHFFFAOYSA-N 2 2 368.547 0.602 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322185 854572263 /nfs/dbraw/zinc/57/22/63/854572263.db2.gz CZFFDEDDBMFBDO-RCCFBDPRSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322185 854572271 /nfs/dbraw/zinc/57/22/71/854572271.db2.gz CZFFDEDDBMFBDO-RCCFBDPRSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322185 854572279 /nfs/dbraw/zinc/57/22/79/854572279.db2.gz CZFFDEDDBMFBDO-RCCFBDPRSA-N 2 2 351.491 0.574 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2OC)C1 ZINC001213322185 854572284 /nfs/dbraw/zinc/57/22/84/854572284.db2.gz CZFFDEDDBMFBDO-RCCFBDPRSA-N 2 2 351.491 0.574 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747403 854748892 /nfs/dbraw/zinc/74/88/92/854748892.db2.gz IKJBUVHZKYNPQX-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747403 854748893 /nfs/dbraw/zinc/74/88/93/854748893.db2.gz IKJBUVHZKYNPQX-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2[nH]c(=S)[nH]c(=O)c2N=Cc2ccccc2)C1 ZINC001218664952 855460320 /nfs/dbraw/zinc/46/03/20/855460320.db2.gz WECCTXKKCGTXKX-QTFIKJKHSA-N 2 2 358.427 0.849 20 30 FCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220868234 856347731 /nfs/dbraw/zinc/34/77/31/856347731.db2.gz FFQQQAFVGHNDTE-LSDHHAIUSA-N 2 2 355.504 0.167 20 30 FCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220868234 856347742 /nfs/dbraw/zinc/34/77/42/856347742.db2.gz FFQQQAFVGHNDTE-LSDHHAIUSA-N 2 2 355.504 0.167 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489162 873980447 /nfs/dbraw/zinc/98/04/47/873980447.db2.gz UYACJAZQMMEODG-JKSUJKDBSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489162 873980459 /nfs/dbraw/zinc/98/04/59/873980459.db2.gz UYACJAZQMMEODG-JKSUJKDBSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489162 873980470 /nfs/dbraw/zinc/98/04/70/873980470.db2.gz UYACJAZQMMEODG-JKSUJKDBSA-N 2 2 350.463 0.363 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC001333489162 873980482 /nfs/dbraw/zinc/98/04/82/873980482.db2.gz UYACJAZQMMEODG-JKSUJKDBSA-N 2 2 350.463 0.363 20 30 FCEDLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423592584 247067572 /nfs/dbraw/zinc/06/75/72/247067572.db2.gz DPTRERHQKDWWIB-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423626734 247080898 /nfs/dbraw/zinc/08/08/98/247080898.db2.gz GOINMSIZTYTROS-CRAIPNDOSA-N 2 2 369.469 0.398 20 30 FCEDLP COc1ccc(-c2n[nH]c(CNC(=[NH2+])NCCC[NH+]3CCOCC3)n2)cc1 ZINC000303968700 488892818 /nfs/dbraw/zinc/89/28/18/488892818.db2.gz AXKLGEKRADBIFW-UHFFFAOYSA-N 2 2 373.461 0.607 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328756722 488935979 /nfs/dbraw/zinc/93/59/79/488935979.db2.gz UKUCZVLKEFIEEY-SJORKVTESA-N 2 2 353.511 0.190 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328756722 488935983 /nfs/dbraw/zinc/93/59/83/488935983.db2.gz UKUCZVLKEFIEEY-SJORKVTESA-N 2 2 353.511 0.190 20 30 FCEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000042950428 487884167 /nfs/dbraw/zinc/88/41/67/487884167.db2.gz AKOBPKQXAWECBZ-UHFFFAOYSA-N 2 2 359.474 0.964 20 30 FCEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051762326 488144662 /nfs/dbraw/zinc/14/46/62/488144662.db2.gz UYUKWRHDCZTMOW-QGZVFWFLSA-N 2 2 360.458 0.198 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000329100187 488969010 /nfs/dbraw/zinc/96/90/10/488969010.db2.gz DNCSCXUCQJPAMA-KBPBESRZSA-N 2 2 354.451 0.483 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000329100187 488969014 /nfs/dbraw/zinc/96/90/14/488969014.db2.gz DNCSCXUCQJPAMA-KBPBESRZSA-N 2 2 354.451 0.483 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000329100187 488969017 /nfs/dbraw/zinc/96/90/17/488969017.db2.gz DNCSCXUCQJPAMA-KBPBESRZSA-N 2 2 354.451 0.483 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000329100187 488969021 /nfs/dbraw/zinc/96/90/21/488969021.db2.gz DNCSCXUCQJPAMA-KBPBESRZSA-N 2 2 354.451 0.483 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000076984303 488408005 /nfs/dbraw/zinc/40/80/05/488408005.db2.gz GFXRSDMCZUUAJY-HNNXBMFYSA-N 2 2 363.506 0.631 20 30 FCEDLP C=CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC=C)C2CC2)CC1)C1CC1 ZINC000271370235 488519383 /nfs/dbraw/zinc/51/93/83/488519383.db2.gz GSOMYPGPCCCWOV-UHFFFAOYSA-N 2 2 360.502 0.958 20 30 FCEDLP C=CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC=C)C2CC2)CC1)C1CC1 ZINC000271370235 488519386 /nfs/dbraw/zinc/51/93/86/488519386.db2.gz GSOMYPGPCCCWOV-UHFFFAOYSA-N 2 2 360.502 0.958 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000112904272 488536107 /nfs/dbraw/zinc/53/61/07/488536107.db2.gz PILATVYZCGUEJI-FQEVSTJZSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000112904272 488536108 /nfs/dbraw/zinc/53/61/08/488536108.db2.gz PILATVYZCGUEJI-FQEVSTJZSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC000112904272 488536109 /nfs/dbraw/zinc/53/61/09/488536109.db2.gz PILATVYZCGUEJI-FQEVSTJZSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC000112904272 488536111 /nfs/dbraw/zinc/53/61/11/488536111.db2.gz PILATVYZCGUEJI-FQEVSTJZSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000112904659 488536547 /nfs/dbraw/zinc/53/65/47/488536547.db2.gz ICIWNOVWJKLYCY-IBGZPJMESA-N 2 2 362.518 0.781 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000112904659 488536548 /nfs/dbraw/zinc/53/65/48/488536548.db2.gz ICIWNOVWJKLYCY-IBGZPJMESA-N 2 2 362.518 0.781 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000267353417 488780301 /nfs/dbraw/zinc/78/03/01/488780301.db2.gz OCAGUZLVTKNMDT-UHFFFAOYSA-N 2 2 357.458 0.430 20 30 FCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)cc1 ZINC000277478397 488788819 /nfs/dbraw/zinc/78/88/19/488788819.db2.gz KKDFBKHYXHVUQA-UHFFFAOYSA-N 2 2 373.461 0.998 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CCNC(=O)C3)CC2)CC1 ZINC000329315341 488992846 /nfs/dbraw/zinc/99/28/46/488992846.db2.gz RYQPTPJNWBFJJO-UHFFFAOYSA-N 2 2 366.510 0.321 20 30 FCEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329716207 489030644 /nfs/dbraw/zinc/03/06/44/489030644.db2.gz WCHPAIVWHYBWSL-SJLPKXTDSA-N 2 2 360.506 0.920 20 30 FCEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329716207 489030646 /nfs/dbraw/zinc/03/06/46/489030646.db2.gz WCHPAIVWHYBWSL-SJLPKXTDSA-N 2 2 360.506 0.920 20 30 FCEDLP C[NH+]1CCC(CNC(=O)NC[C@H]2COCCO2)([NH+]2CCCCC2)CC1 ZINC000329774451 489034972 /nfs/dbraw/zinc/03/49/72/489034972.db2.gz MFAKJVVEIBORQQ-INIZCTEOSA-N 2 2 354.495 0.856 20 30 FCEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329815440 489038744 /nfs/dbraw/zinc/03/87/44/489038744.db2.gz DLTLTPMSBTWXLJ-HNNXBMFYSA-N 2 2 373.461 1.000 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329898424 489046770 /nfs/dbraw/zinc/04/67/70/489046770.db2.gz MDWYSARDTZNTAZ-SJLPKXTDSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329898424 489046771 /nfs/dbraw/zinc/04/67/71/489046771.db2.gz MDWYSARDTZNTAZ-SJLPKXTDSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329898424 489046773 /nfs/dbraw/zinc/04/67/73/489046773.db2.gz MDWYSARDTZNTAZ-SJLPKXTDSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329898424 489046775 /nfs/dbraw/zinc/04/67/75/489046775.db2.gz MDWYSARDTZNTAZ-SJLPKXTDSA-N 2 2 355.479 0.791 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C[C@@H](C)O1 ZINC000329942153 489052555 /nfs/dbraw/zinc/05/25/55/489052555.db2.gz VILNHBWNOSQZEO-FPCVCCKLSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C[C@@H](C)O1 ZINC000329942153 489052559 /nfs/dbraw/zinc/05/25/59/489052559.db2.gz VILNHBWNOSQZEO-FPCVCCKLSA-N 2 2 354.495 0.803 20 30 FCEDLP CCN1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329976871 489057487 /nfs/dbraw/zinc/05/74/87/489057487.db2.gz ZCHONJHIXNSGFE-CVEARBPZSA-N 2 2 363.510 0.638 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000330125207 489071602 /nfs/dbraw/zinc/07/16/02/489071602.db2.gz LVHQLYMCDOXIBI-INIZCTEOSA-N 2 2 374.489 0.872 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000330125207 489071604 /nfs/dbraw/zinc/07/16/04/489071604.db2.gz LVHQLYMCDOXIBI-INIZCTEOSA-N 2 2 374.489 0.872 20 30 FCEDLP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330271978 489086735 /nfs/dbraw/zinc/08/67/35/489086735.db2.gz WWTMWTOIQCSIST-JKSUJKDBSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330271978 489086739 /nfs/dbraw/zinc/08/67/39/489086739.db2.gz WWTMWTOIQCSIST-JKSUJKDBSA-N 2 2 354.495 0.806 20 30 FCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330346293 489093116 /nfs/dbraw/zinc/09/31/16/489093116.db2.gz GIWSJYSZQZMIIO-KRWDZBQOSA-N 2 2 352.479 0.750 20 30 FCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330346293 489093117 /nfs/dbraw/zinc/09/31/17/489093117.db2.gz GIWSJYSZQZMIIO-KRWDZBQOSA-N 2 2 352.479 0.750 20 30 FCEDLP C[NH+](C)CCNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000330748318 489139677 /nfs/dbraw/zinc/13/96/77/489139677.db2.gz GXDXLNOTQQOFGM-UHFFFAOYSA-N 2 2 369.491 0.510 20 30 FCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330764148 489141298 /nfs/dbraw/zinc/14/12/98/489141298.db2.gz PKFZDWMZNWUJON-AEFFLSMTSA-N 2 2 366.506 0.588 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420100119 489912233 /nfs/dbraw/zinc/91/22/33/489912233.db2.gz CBBRKWSWNXUGFQ-CRAIPNDOSA-N 2 2 369.469 0.459 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420201211 489949956 /nfs/dbraw/zinc/94/99/56/489949956.db2.gz NCTIGYQNABRKEF-ZWKOTPCHSA-N 2 2 369.469 0.446 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423011889 490518002 /nfs/dbraw/zinc/51/80/02/490518002.db2.gz JOUGUMXTDHHBPM-HOTGVXAUSA-N 2 2 369.469 0.411 20 30 FCEDLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423012339 490519807 /nfs/dbraw/zinc/51/98/07/490519807.db2.gz KJVZPWVXCLUEIQ-QAPCUYQASA-N 2 2 369.469 0.398 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC000423017599 490520852 /nfs/dbraw/zinc/52/08/52/490520852.db2.gz WTHDLUCXMCEBMK-RHSMWYFYSA-N 2 2 355.442 0.008 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515522140 490830434 /nfs/dbraw/zinc/83/04/34/490830434.db2.gz XBAHMZORNFVHAB-JKSUJKDBSA-N 2 2 374.464 0.950 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000530230981 490894769 /nfs/dbraw/zinc/89/47/69/490894769.db2.gz KYJVUFJVWVVYIR-OALUTQOASA-N 2 2 374.485 0.294 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000557768215 491396972 /nfs/dbraw/zinc/39/69/72/491396972.db2.gz VSJMDSHLPAJYHP-INIZCTEOSA-N 2 2 366.506 0.322 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144055 491719233 /nfs/dbraw/zinc/71/92/33/491719233.db2.gz ZWHZZWWSADNMBW-IRXDYDNUSA-N 2 2 358.490 0.902 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144055 491719234 /nfs/dbraw/zinc/71/92/34/491719234.db2.gz ZWHZZWWSADNMBW-IRXDYDNUSA-N 2 2 358.490 0.902 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000580941863 491752396 /nfs/dbraw/zinc/75/23/96/491752396.db2.gz FLMRPZMBRQSVTO-DLBZAZTESA-N 2 2 370.457 0.338 20 30 FCEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000580941863 491752397 /nfs/dbraw/zinc/75/23/97/491752397.db2.gz FLMRPZMBRQSVTO-DLBZAZTESA-N 2 2 370.457 0.338 20 30 FCEDLP CN(Cc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1)c1cnc(C#N)cn1 ZINC000600976688 491890921 /nfs/dbraw/zinc/89/09/21/491890921.db2.gz SSWOOSXAYVLLRM-UHFFFAOYSA-N 2 2 357.466 0.460 20 30 FCEDLP CN(Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1)c1cnc(C#N)cn1 ZINC000600976688 491890922 /nfs/dbraw/zinc/89/09/22/491890922.db2.gz SSWOOSXAYVLLRM-UHFFFAOYSA-N 2 2 357.466 0.460 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1 ZINC000615310990 492085635 /nfs/dbraw/zinc/08/56/35/492085635.db2.gz DWLUAXDJHMIURT-AWEZNQCLSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1 ZINC000615310990 492085636 /nfs/dbraw/zinc/08/56/36/492085636.db2.gz DWLUAXDJHMIURT-AWEZNQCLSA-N 2 2 373.432 0.921 20 30 FCEDLP C=CCn1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000645037630 492842836 /nfs/dbraw/zinc/84/28/36/492842836.db2.gz JDUQXHTXUGTMEB-KRWDZBQOSA-N 2 2 361.494 0.774 20 30 FCEDLP C=CCn1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000645037630 492842841 /nfs/dbraw/zinc/84/28/41/492842841.db2.gz JDUQXHTXUGTMEB-KRWDZBQOSA-N 2 2 361.494 0.774 20 30 FCEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640837536 493135335 /nfs/dbraw/zinc/13/53/35/493135335.db2.gz UHFWNMYHNJWASI-SFHVURJKSA-N 2 2 354.458 0.810 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668836228 493418314 /nfs/dbraw/zinc/41/83/14/493418314.db2.gz UBPOTSBUPZMUGO-QGZVFWFLSA-N 2 2 364.490 0.076 20 30 FCEDLP CC(C)(C)NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104170867 526283099 /nfs/dbraw/zinc/28/30/99/526283099.db2.gz WJPXQQIHDTUERE-UHFFFAOYSA-N 2 2 368.507 0.236 20 30 FCEDLP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262005833 526356475 /nfs/dbraw/zinc/35/64/75/526356475.db2.gz VOCHDEYDHYJTMC-GJZGRUSLSA-N 2 2 368.507 0.377 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262777815 526358969 /nfs/dbraw/zinc/35/89/69/526358969.db2.gz JYBCTLHTQJOVTP-OAHLLOKOSA-N 2 2 363.535 0.659 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000262816453 526360022 /nfs/dbraw/zinc/36/00/22/526360022.db2.gz WVSXYAHBNWZOII-UHFFFAOYSA-N 2 2 353.536 0.601 20 30 FCEDLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)s1 ZINC000329484608 546555688 /nfs/dbraw/zinc/55/56/88/546555688.db2.gz SJPAQWUCTZEAEP-HNNXBMFYSA-N 2 2 366.535 0.729 20 30 FCEDLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)s1 ZINC000329484608 546555694 /nfs/dbraw/zinc/55/56/94/546555694.db2.gz SJPAQWUCTZEAEP-HNNXBMFYSA-N 2 2 366.535 0.729 20 30 FCEDLP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000330177647 546586143 /nfs/dbraw/zinc/58/61/43/546586143.db2.gz KXRYRXAYZIRZBI-DJIMGWMZSA-N 2 2 354.495 0.589 20 30 FCEDLP C=CCSCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552504392 547214440 /nfs/dbraw/zinc/21/44/40/547214440.db2.gz VMVYQJUSCVCQLD-UHFFFAOYSA-N 2 2 368.547 0.697 20 30 FCEDLP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038468 675682457 /nfs/dbraw/zinc/68/24/57/675682457.db2.gz MJPMUDVUYHQCFF-BRWVUGGUSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038468 675682460 /nfs/dbraw/zinc/68/24/60/675682460.db2.gz MJPMUDVUYHQCFF-BRWVUGGUSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038468 675682462 /nfs/dbraw/zinc/68/24/62/675682462.db2.gz MJPMUDVUYHQCFF-BRWVUGGUSA-N 2 2 370.925 0.677 20 30 FCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038468 675682464 /nfs/dbraw/zinc/68/24/64/675682464.db2.gz MJPMUDVUYHQCFF-BRWVUGGUSA-N 2 2 370.925 0.677 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691235546 1170876151 /nfs/dbraw/zinc/87/61/51/1170876151.db2.gz CBGBVSJWYUEWJG-HRCADAONSA-N 2 2 357.458 0.069 20 30 FCEDLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)n1cc[nH+]c1 ZINC001104738179 1182411010 /nfs/dbraw/zinc/41/10/10/1182411010.db2.gz JRMXKKSBMVACOM-BZUAXINKSA-N 2 2 360.462 0.548 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966508 1183027575 /nfs/dbraw/zinc/02/75/75/1183027575.db2.gz AREWXDVTRXZUMT-HZPDHXFCSA-N 2 2 361.490 0.729 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC)nn3)CC[C@@H]2C1 ZINC001087998264 1190174316 /nfs/dbraw/zinc/17/43/16/1190174316.db2.gz ZIQQNUMESIJPBU-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC)nn3)CC[C@@H]2C1 ZINC001087998264 1190174320 /nfs/dbraw/zinc/17/43/20/1190174320.db2.gz ZIQQNUMESIJPBU-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(CC)nn3)CC[C@@H]2C1 ZINC001087998264 1190174325 /nfs/dbraw/zinc/17/43/25/1190174325.db2.gz ZIQQNUMESIJPBU-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(CC)nn3)CC[C@@H]2C1 ZINC001087998264 1190174330 /nfs/dbraw/zinc/17/43/30/1190174330.db2.gz ZIQQNUMESIJPBU-AOIWGVFYSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001088351695 1190772359 /nfs/dbraw/zinc/77/23/59/1190772359.db2.gz JCEXEHHPQQNBGN-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001217967051 1224134546 /nfs/dbraw/zinc/13/45/46/1224134546.db2.gz MBIJJCXWNHIRDX-UGFHNGPFSA-N 2 2 361.398 0.150 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)cc1 ZINC001083523671 1194146386 /nfs/dbraw/zinc/14/63/86/1194146386.db2.gz NMEBUJQQUOFCAM-KURKYZTESA-N 2 2 365.437 0.994 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)cc1 ZINC001083523671 1194146392 /nfs/dbraw/zinc/14/63/92/1194146392.db2.gz NMEBUJQQUOFCAM-KURKYZTESA-N 2 2 365.437 0.994 20 30 FCEDLP N#CCc1nn(-c2ccccc2)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1C#N ZINC001218750102 1224211569 /nfs/dbraw/zinc/21/15/69/1224211569.db2.gz BJVRKNITFHDNAY-OGWOLHLISA-N 2 2 361.409 0.970 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(CC)nn4)C[C@H]32)CC1 ZINC001076605521 1194593800 /nfs/dbraw/zinc/59/38/00/1194593800.db2.gz DUFSJYNHWCBJSL-PKOBYXMFSA-N 2 2 370.501 0.676 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cn(CC)nn4)C[C@H]32)CC1 ZINC001076605521 1194593803 /nfs/dbraw/zinc/59/38/03/1194593803.db2.gz DUFSJYNHWCBJSL-PKOBYXMFSA-N 2 2 370.501 0.676 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004496 1224284412 /nfs/dbraw/zinc/28/44/12/1224284412.db2.gz LWCKDRSUZJRKHT-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004496 1224284420 /nfs/dbraw/zinc/28/44/20/1224284420.db2.gz LWCKDRSUZJRKHT-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004496 1224284429 /nfs/dbraw/zinc/28/44/29/1224284429.db2.gz LWCKDRSUZJRKHT-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004496 1224284434 /nfs/dbraw/zinc/28/44/34/1224284434.db2.gz LWCKDRSUZJRKHT-IXDOHACOSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486314 1200327446 /nfs/dbraw/zinc/32/74/46/1200327446.db2.gz TXRFQQOOGJJEOX-NCOADZHNSA-N 2 2 358.486 0.474 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486314 1200327456 /nfs/dbraw/zinc/32/74/56/1200327456.db2.gz TXRFQQOOGJJEOX-NCOADZHNSA-N 2 2 358.486 0.474 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520769 1200356900 /nfs/dbraw/zinc/35/69/00/1200356900.db2.gz ZSQCELMAGGPCJV-PVAVHDDUSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520769 1200356914 /nfs/dbraw/zinc/35/69/14/1200356914.db2.gz ZSQCELMAGGPCJV-PVAVHDDUSA-N 2 2 351.410 0.419 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C(C)C ZINC001109857920 1200568441 /nfs/dbraw/zinc/56/84/41/1200568441.db2.gz KFESVPCKEWFNNG-CVYDXHPNSA-N 2 2 363.506 0.714 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C(C)C ZINC001109857920 1200568449 /nfs/dbraw/zinc/56/84/49/1200568449.db2.gz KFESVPCKEWFNNG-CVYDXHPNSA-N 2 2 363.506 0.714 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590742 1200830069 /nfs/dbraw/zinc/83/00/69/1200830069.db2.gz OFRFVCHFGOQWCM-BXWFABGCSA-N 2 2 359.474 0.792 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461187 1201326835 /nfs/dbraw/zinc/32/68/35/1201326835.db2.gz QFMHIGDFIGWQFH-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461187 1201326839 /nfs/dbraw/zinc/32/68/39/1201326839.db2.gz QFMHIGDFIGWQFH-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461285 1201328101 /nfs/dbraw/zinc/32/81/01/1201328101.db2.gz UQCFNYVNFUPYJA-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461285 1201328103 /nfs/dbraw/zinc/32/81/03/1201328103.db2.gz UQCFNYVNFUPYJA-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129917077 1201427050 /nfs/dbraw/zinc/42/70/50/1201427050.db2.gz KWMKLTDMHOHVOI-OAGGEKHMSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140020 1201516086 /nfs/dbraw/zinc/51/60/86/1201516086.db2.gz MVZBTNGCYGGBRO-FGTMMUONSA-N 2 2 369.473 0.894 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cn(C)cn1 ZINC001130619608 1202738333 /nfs/dbraw/zinc/73/83/33/1202738333.db2.gz ZJWLCWPKZLYSFT-MAUKXSAKSA-N 2 2 370.457 0.691 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3[nH]cc[nH+]3)n2)O1 ZINC001130781333 1202793567 /nfs/dbraw/zinc/79/35/67/1202793567.db2.gz ZDGJAJQKQBTPKS-UONOGXRCSA-N 2 2 371.445 0.610 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130819877 1202809024 /nfs/dbraw/zinc/80/90/24/1202809024.db2.gz IUDPHFDQFRALMK-LSDHHAIUSA-N 2 2 362.478 0.594 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130819877 1202809026 /nfs/dbraw/zinc/80/90/26/1202809026.db2.gz IUDPHFDQFRALMK-LSDHHAIUSA-N 2 2 362.478 0.594 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cncn1C ZINC001131020094 1202846494 /nfs/dbraw/zinc/84/64/94/1202846494.db2.gz KVDLMEIXQZZPMD-NVXWUHKLSA-N 2 2 370.457 0.691 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131089657 1202860924 /nfs/dbraw/zinc/86/09/24/1202860924.db2.gz SLMQFGUWDBUWNF-HZPDHXFCSA-N 2 2 355.446 0.813 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117616 1202865069 /nfs/dbraw/zinc/86/50/69/1202865069.db2.gz HPEIOZDWONJZSY-IAGOWNOFSA-N 2 2 354.458 0.694 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985001 1204879416 /nfs/dbraw/zinc/87/94/16/1204879416.db2.gz OVIIZIXRKCJZGK-JCGIZDLHSA-N 2 2 354.458 0.949 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985000 1204879664 /nfs/dbraw/zinc/87/96/64/1204879664.db2.gz OVIIZIXRKCJZGK-FHLIZLRMSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873767 1205060160 /nfs/dbraw/zinc/06/01/60/1205060160.db2.gz KYWFZOZFDKXXQL-XSYGEPLQSA-N 2 2 361.486 0.280 20 30 FCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873767 1205060164 /nfs/dbraw/zinc/06/01/64/1205060164.db2.gz KYWFZOZFDKXXQL-XSYGEPLQSA-N 2 2 361.486 0.280 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873614 1205060367 /nfs/dbraw/zinc/06/03/67/1205060367.db2.gz BHHLVWIJEGFRTP-XSYGEPLQSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873614 1205060372 /nfs/dbraw/zinc/06/03/72/1205060372.db2.gz BHHLVWIJEGFRTP-XSYGEPLQSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232494 1205204667 /nfs/dbraw/zinc/20/46/67/1205204667.db2.gz OMIGJHZOWPJYGG-MDYRTPRTSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232494 1205204671 /nfs/dbraw/zinc/20/46/71/1205204671.db2.gz OMIGJHZOWPJYGG-MDYRTPRTSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)C1=O ZINC001093286946 1206072841 /nfs/dbraw/zinc/07/28/41/1206072841.db2.gz HMJVIEKQEJGGEX-OAGGEKHMSA-N 2 2 359.474 0.813 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093477797 1206089533 /nfs/dbraw/zinc/08/95/33/1206089533.db2.gz MVYDWDPOLFPJBA-IZBJGVDFSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001094436634 1206226985 /nfs/dbraw/zinc/22/69/85/1206226985.db2.gz ALJPVNIDLURLKT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001094436634 1206226987 /nfs/dbraw/zinc/22/69/87/1206226987.db2.gz ALJPVNIDLURLKT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cn(C)nn1)CC2 ZINC001094436634 1206226991 /nfs/dbraw/zinc/22/69/91/1206226991.db2.gz ALJPVNIDLURLKT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cn(C)nn1)CC2 ZINC001094436634 1206226994 /nfs/dbraw/zinc/22/69/94/1206226994.db2.gz ALJPVNIDLURLKT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CCCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000773336347 1206250225 /nfs/dbraw/zinc/25/02/25/1206250225.db2.gz XEJQELSIRVHKDP-UHFFFAOYSA-N 2 2 362.518 0.877 20 30 FCEDLP COC(=O)c1ccc(C(N)=NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220577283 1224946042 /nfs/dbraw/zinc/94/60/42/1224946042.db2.gz LFIJRWYLDZAHQQ-HNNXBMFYSA-N 2 2 374.441 0.158 20 30 FCEDLP COC(=O)c1ccc(C(N)=NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220577283 1224946052 /nfs/dbraw/zinc/94/60/52/1224946052.db2.gz LFIJRWYLDZAHQQ-HNNXBMFYSA-N 2 2 374.441 0.158 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205250 1207433785 /nfs/dbraw/zinc/43/37/85/1207433785.db2.gz IDDDQQQXEBCAHZ-ARFHVFGLSA-N 2 2 357.458 0.595 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205250 1207433789 /nfs/dbraw/zinc/43/37/89/1207433789.db2.gz IDDDQQQXEBCAHZ-ARFHVFGLSA-N 2 2 357.458 0.595 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135044 1207510324 /nfs/dbraw/zinc/51/03/24/1207510324.db2.gz JYVTUUHLWSXSNM-XYJFISCASA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135044 1207510332 /nfs/dbraw/zinc/51/03/32/1207510332.db2.gz JYVTUUHLWSXSNM-XYJFISCASA-N 2 2 371.485 0.589 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135931 1207511883 /nfs/dbraw/zinc/51/18/83/1207511883.db2.gz SOXJYDRHJVEKBB-SOLBZPMBSA-N 2 2 369.469 0.036 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135931 1207511890 /nfs/dbraw/zinc/51/18/90/1207511890.db2.gz SOXJYDRHJVEKBB-SOLBZPMBSA-N 2 2 369.469 0.036 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453408 1207558055 /nfs/dbraw/zinc/55/80/55/1207558055.db2.gz JVOOZDNEJBACRX-ZWKOTPCHSA-N 2 2 362.518 0.781 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453408 1207558060 /nfs/dbraw/zinc/55/80/60/1207558060.db2.gz JVOOZDNEJBACRX-ZWKOTPCHSA-N 2 2 362.518 0.781 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453408 1207558065 /nfs/dbraw/zinc/55/80/65/1207558065.db2.gz JVOOZDNEJBACRX-ZWKOTPCHSA-N 2 2 362.518 0.781 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486825 1207688003 /nfs/dbraw/zinc/68/80/03/1207688003.db2.gz MGVGZXNACIVQHU-IXDOHACOSA-N 2 2 359.474 0.887 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486825 1207688009 /nfs/dbraw/zinc/68/80/09/1207688009.db2.gz MGVGZXNACIVQHU-IXDOHACOSA-N 2 2 359.474 0.887 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755205 1207890543 /nfs/dbraw/zinc/89/05/43/1207890543.db2.gz HXSHWOYDNPQFNA-KZNAEPCWSA-N 2 2 365.522 0.945 20 30 FCEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755205 1207890544 /nfs/dbraw/zinc/89/05/44/1207890544.db2.gz HXSHWOYDNPQFNA-KZNAEPCWSA-N 2 2 365.522 0.945 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001193953701 1207900961 /nfs/dbraw/zinc/90/09/61/1207900961.db2.gz MVJIFYBSDDQGMW-KURKYZTESA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001193953701 1207900964 /nfs/dbraw/zinc/90/09/64/1207900964.db2.gz MVJIFYBSDDQGMW-KURKYZTESA-N 2 2 362.449 0.945 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193954099 1207901038 /nfs/dbraw/zinc/90/10/38/1207901038.db2.gz QIRLIDGEUQNJII-NUJGCVRESA-N 2 2 368.522 0.159 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193954099 1207901041 /nfs/dbraw/zinc/90/10/41/1207901041.db2.gz QIRLIDGEUQNJII-NUJGCVRESA-N 2 2 368.522 0.159 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001194085597 1207914550 /nfs/dbraw/zinc/91/45/50/1207914550.db2.gz FCSYWVFRZYDVST-BRWVUGGUSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001194085597 1207914552 /nfs/dbraw/zinc/91/45/52/1207914552.db2.gz FCSYWVFRZYDVST-BRWVUGGUSA-N 2 2 360.458 0.568 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194961487 1207984508 /nfs/dbraw/zinc/98/45/08/1207984508.db2.gz OTSJDLZFDXMFGP-RTBURBONSA-N 2 2 359.470 0.215 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194961487 1207984511 /nfs/dbraw/zinc/98/45/11/1207984511.db2.gz OTSJDLZFDXMFGP-RTBURBONSA-N 2 2 359.470 0.215 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O)[NH+](C)C ZINC001196267619 1208069717 /nfs/dbraw/zinc/06/97/17/1208069717.db2.gz FCSYWVFRZYDVST-IXDOHACOSA-N 2 2 360.458 0.568 20 30 FCEDLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001197319526 1208152702 /nfs/dbraw/zinc/15/27/02/1208152702.db2.gz LYDMJXCABKQMSI-WOJBJXKFSA-N 2 2 371.481 0.310 20 30 FCEDLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001197319526 1208152709 /nfs/dbraw/zinc/15/27/09/1208152709.db2.gz LYDMJXCABKQMSI-WOJBJXKFSA-N 2 2 371.481 0.310 20 30 FCEDLP C#C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000775791965 1208205042 /nfs/dbraw/zinc/20/50/42/1208205042.db2.gz PGBVZWGPYSOYFF-PMACEKPBSA-N 2 2 371.481 0.905 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220915043 1225138082 /nfs/dbraw/zinc/13/80/82/1225138082.db2.gz KLTGVASXMGSAFG-JCGIZDLHSA-N 2 2 367.453 0.229 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091404 1225218359 /nfs/dbraw/zinc/21/83/59/1225218359.db2.gz NGJFAAFZPNFXSD-ZACQAIPSSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091404 1225218364 /nfs/dbraw/zinc/21/83/64/1225218364.db2.gz NGJFAAFZPNFXSD-ZACQAIPSSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091404 1225218372 /nfs/dbraw/zinc/21/83/72/1225218372.db2.gz NGJFAAFZPNFXSD-ZACQAIPSSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091404 1225218378 /nfs/dbraw/zinc/21/83/78/1225218378.db2.gz NGJFAAFZPNFXSD-ZACQAIPSSA-N 2 2 368.522 0.301 20 30 FCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000884211842 1210724318 /nfs/dbraw/zinc/72/43/18/1210724318.db2.gz PGHPEZPPEXFXJK-SWKXRBFHSA-N 2 2 358.446 0.293 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412288 1210733575 /nfs/dbraw/zinc/73/35/75/1210733575.db2.gz MZWWNDFKELMIKY-OUBFZGACSA-N 3 2 359.518 0.753 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412288 1210733580 /nfs/dbraw/zinc/73/35/80/1210733580.db2.gz MZWWNDFKELMIKY-OUBFZGACSA-N 3 2 359.518 0.753 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001691723204 1210845120 /nfs/dbraw/zinc/84/51/20/1210845120.db2.gz TVWOKENUMLVAOS-KMFMINBZSA-N 2 2 357.458 0.082 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001691723204 1210845121 /nfs/dbraw/zinc/84/51/21/1210845121.db2.gz TVWOKENUMLVAOS-KMFMINBZSA-N 2 2 357.458 0.082 20 30 FCEDLP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H](O)C[NH+]2C)C3)cc1C#N ZINC001274907660 1211141455 /nfs/dbraw/zinc/14/14/55/1211141455.db2.gz FMWMFRPYZRBRSG-MVJTYMMSSA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H](O)C[NH+]2C)C3)cc1C#N ZINC001274907660 1211141459 /nfs/dbraw/zinc/14/14/59/1211141459.db2.gz FMWMFRPYZRBRSG-MVJTYMMSSA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)C3)cc1C#N ZINC001274907660 1211141460 /nfs/dbraw/zinc/14/14/60/1211141460.db2.gz FMWMFRPYZRBRSG-MVJTYMMSSA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)C3)cc1C#N ZINC001274907660 1211141462 /nfs/dbraw/zinc/14/14/62/1211141462.db2.gz FMWMFRPYZRBRSG-MVJTYMMSSA-N 2 2 357.458 0.137 20 30 FCEDLP C#CCN1C(=O)COCC12C[NH+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001276224918 1211384297 /nfs/dbraw/zinc/38/42/97/1211384297.db2.gz NTSJKTVOVASLLP-UHFFFAOYSA-N 2 2 357.454 0.673 20 30 FCEDLP C[NH+](C)CCN1CC2(C[NH+](CCCc3ccc(C#N)cc3)C2)OCC1=O ZINC001276279512 1211405111 /nfs/dbraw/zinc/40/51/11/1211405111.db2.gz YCAHUHJSNWZEJW-UHFFFAOYSA-N 2 2 356.470 0.966 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001095556303 1211410994 /nfs/dbraw/zinc/41/09/94/1211410994.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001095556303 1211410995 /nfs/dbraw/zinc/41/09/95/1211410995.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCC1=O ZINC001095556303 1211410997 /nfs/dbraw/zinc/41/09/97/1211410997.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCC1=O ZINC001095556303 1211410999 /nfs/dbraw/zinc/41/09/99/1211410999.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886072 1211463766 /nfs/dbraw/zinc/46/37/66/1211463766.db2.gz KWOKVVQLXOHEAA-HZMVEIRTSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886072 1211463769 /nfs/dbraw/zinc/46/37/69/1211463769.db2.gz KWOKVVQLXOHEAA-HZMVEIRTSA-N 2 2 360.502 0.720 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000088253143 1213026024 /nfs/dbraw/zinc/02/60/24/1213026024.db2.gz XEUWOTHNZKOREF-HNNXBMFYSA-N 3 2 363.510 0.216 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954631541 1213087900 /nfs/dbraw/zinc/08/79/00/1213087900.db2.gz ZCUSUSXSONURJK-ZACQAIPSSA-N 2 2 369.469 0.290 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954631541 1213087907 /nfs/dbraw/zinc/08/79/07/1213087907.db2.gz ZCUSUSXSONURJK-ZACQAIPSSA-N 2 2 369.469 0.290 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664195 1225425234 /nfs/dbraw/zinc/42/52/34/1225425234.db2.gz JPZNKIMVLTYYHL-FGTMMUONSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664195 1225425238 /nfs/dbraw/zinc/42/52/38/1225425238.db2.gz JPZNKIMVLTYYHL-FGTMMUONSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664195 1225425244 /nfs/dbraw/zinc/42/52/44/1225425244.db2.gz JPZNKIMVLTYYHL-FGTMMUONSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664195 1225425246 /nfs/dbraw/zinc/42/52/46/1225425246.db2.gz JPZNKIMVLTYYHL-FGTMMUONSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663921 1225425618 /nfs/dbraw/zinc/42/56/18/1225425618.db2.gz VKYNXXGVFUAASU-CRAIPNDOSA-N 2 2 365.437 0.538 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663921 1225425621 /nfs/dbraw/zinc/42/56/21/1225425621.db2.gz VKYNXXGVFUAASU-CRAIPNDOSA-N 2 2 365.437 0.538 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)CC1 ZINC000957524209 1213317314 /nfs/dbraw/zinc/31/73/14/1213317314.db2.gz PGDZLPPWBXEZDT-RDTXWAMCSA-N 2 2 371.485 0.569 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221772211 1225476647 /nfs/dbraw/zinc/47/66/47/1225476647.db2.gz OTQRGJJCJIFODB-ZIFCJYIRSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221772211 1225476651 /nfs/dbraw/zinc/47/66/51/1225476651.db2.gz OTQRGJJCJIFODB-ZIFCJYIRSA-N 2 2 356.470 0.936 20 30 FCEDLP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000019846 1215995639 /nfs/dbraw/zinc/99/56/39/1215995639.db2.gz GRFGWJJRRMMZPW-ARFHVFGLSA-N 2 2 353.430 0.312 20 30 FCEDLP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000019846 1215995645 /nfs/dbraw/zinc/99/56/45/1215995645.db2.gz GRFGWJJRRMMZPW-ARFHVFGLSA-N 2 2 353.430 0.312 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955986 1216865593 /nfs/dbraw/zinc/86/55/93/1216865593.db2.gz WVBKQIROIGHRKO-SJORKVTESA-N 2 2 356.474 0.519 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955986 1216865597 /nfs/dbraw/zinc/86/55/97/1216865597.db2.gz WVBKQIROIGHRKO-SJORKVTESA-N 2 2 356.474 0.519 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963889 1216870648 /nfs/dbraw/zinc/87/06/48/1216870648.db2.gz TVMUXISDSCWHSS-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963889 1216870650 /nfs/dbraw/zinc/87/06/50/1216870650.db2.gz TVMUXISDSCWHSS-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001096548899 1218477474 /nfs/dbraw/zinc/47/74/74/1218477474.db2.gz PSMFOWLBWJLUTC-QZWWFDLISA-N 2 2 357.458 0.700 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001096548899 1218477478 /nfs/dbraw/zinc/47/74/78/1218477478.db2.gz PSMFOWLBWJLUTC-QZWWFDLISA-N 2 2 357.458 0.700 20 30 FCEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055594505 1219093759 /nfs/dbraw/zinc/09/37/59/1219093759.db2.gz KBMYFEMINBFOFX-NVXWUHKLSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055594505 1219093766 /nfs/dbraw/zinc/09/37/66/1219093766.db2.gz KBMYFEMINBFOFX-NVXWUHKLSA-N 2 2 366.506 0.369 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068368 1219132809 /nfs/dbraw/zinc/13/28/09/1219132809.db2.gz WUHQAUILGLRZJQ-MSOLQXFVSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068368 1219132813 /nfs/dbraw/zinc/13/28/13/1219132813.db2.gz WUHQAUILGLRZJQ-MSOLQXFVSA-N 2 2 358.490 0.763 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070220545 1219302841 /nfs/dbraw/zinc/30/28/41/1219302841.db2.gz KXJGDYQREAEHAB-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1n1ccnn1 ZINC001070309880 1219367270 /nfs/dbraw/zinc/36/72/70/1219367270.db2.gz ICUXAAVNQGWFJU-SJORKVTESA-N 2 2 364.413 0.700 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001070380487 1219406065 /nfs/dbraw/zinc/40/60/65/1219406065.db2.gz IMDUXKCQWUQEAX-BEFAXECRSA-N 2 2 357.458 0.451 20 30 FCEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001070382718 1219407723 /nfs/dbraw/zinc/40/77/23/1219407723.db2.gz NWRWPHAJXFZSKQ-BEFAXECRSA-N 2 2 359.474 0.922 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506508 1219444111 /nfs/dbraw/zinc/44/41/11/1219444111.db2.gz DTOIJKHSQYAVKO-QILLFSRXSA-N 2 2 352.442 0.396 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC#N ZINC001070659391 1219512300 /nfs/dbraw/zinc/51/23/00/1219512300.db2.gz KBLSNEQJOVYKJV-HZPDHXFCSA-N 2 2 356.474 0.704 20 30 FCEDLP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972807 1219586242 /nfs/dbraw/zinc/58/62/42/1219586242.db2.gz MZVRMPWNJVOFPU-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972807 1219586246 /nfs/dbraw/zinc/58/62/46/1219586246.db2.gz MZVRMPWNJVOFPU-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972807 1219586248 /nfs/dbraw/zinc/58/62/48/1219586248.db2.gz MZVRMPWNJVOFPU-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972807 1219586251 /nfs/dbraw/zinc/58/62/51/1219586251.db2.gz MZVRMPWNJVOFPU-IAGOWNOFSA-N 2 2 366.506 0.322 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CC1 ZINC001098462891 1219787993 /nfs/dbraw/zinc/78/79/93/1219787993.db2.gz SVPXLAROPRXQRI-QRQLOZEOSA-N 2 2 355.486 0.987 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CC1 ZINC001098462891 1219787997 /nfs/dbraw/zinc/78/79/97/1219787997.db2.gz SVPXLAROPRXQRI-QRQLOZEOSA-N 2 2 355.486 0.987 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394148 1220321237 /nfs/dbraw/zinc/32/12/37/1220321237.db2.gz XSOJUXSSKGUUCT-XLIONFOSSA-N 2 2 371.485 0.501 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394148 1220321240 /nfs/dbraw/zinc/32/12/40/1220321240.db2.gz XSOJUXSSKGUUCT-XLIONFOSSA-N 2 2 371.485 0.501 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109650 1220501263 /nfs/dbraw/zinc/50/12/63/1220501263.db2.gz VUDWABOGAAPHOK-ZIAGYGMSSA-N 2 2 363.462 0.336 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109650 1220501267 /nfs/dbraw/zinc/50/12/67/1220501267.db2.gz VUDWABOGAAPHOK-ZIAGYGMSSA-N 2 2 363.462 0.336 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157839 1220530136 /nfs/dbraw/zinc/53/01/36/1220530136.db2.gz PTQBXEHMERRXQY-HZPDHXFCSA-N 2 2 371.485 0.195 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157839 1220530144 /nfs/dbraw/zinc/53/01/44/1220530144.db2.gz PTQBXEHMERRXQY-HZPDHXFCSA-N 2 2 371.485 0.195 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001102601967 1220723689 /nfs/dbraw/zinc/72/36/89/1220723689.db2.gz XMXIDOSZTQXCRQ-SZVBFZGTSA-N 2 2 371.485 0.613 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001102601967 1220723695 /nfs/dbraw/zinc/72/36/95/1220723695.db2.gz XMXIDOSZTQXCRQ-SZVBFZGTSA-N 2 2 371.485 0.613 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613718 1220732053 /nfs/dbraw/zinc/73/20/53/1220732053.db2.gz RBXJOVPHVNACGF-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613718 1220732059 /nfs/dbraw/zinc/73/20/59/1220732059.db2.gz RBXJOVPHVNACGF-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229262244 1225993892 /nfs/dbraw/zinc/99/38/92/1225993892.db2.gz PJMFTTHJPUZBHO-NUEKZKHPSA-N 2 2 357.458 0.242 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001103099188 1220832657 /nfs/dbraw/zinc/83/26/57/1220832657.db2.gz CONPQHZKMGDULY-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001103099188 1220832658 /nfs/dbraw/zinc/83/26/58/1220832658.db2.gz CONPQHZKMGDULY-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1C ZINC001103099188 1220832660 /nfs/dbraw/zinc/83/26/60/1220832660.db2.gz CONPQHZKMGDULY-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1C ZINC001103099188 1220832661 /nfs/dbraw/zinc/83/26/61/1220832661.db2.gz CONPQHZKMGDULY-NUJGCVRESA-N 2 2 358.490 0.487 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258464 1220857558 /nfs/dbraw/zinc/85/75/58/1220857558.db2.gz BGKNOMKMEPJEBN-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258464 1220857563 /nfs/dbraw/zinc/85/75/63/1220857563.db2.gz BGKNOMKMEPJEBN-HUUCEWRRSA-N 2 2 360.462 0.067 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789952 1221110777 /nfs/dbraw/zinc/11/07/77/1221110777.db2.gz AIMITWYUICMEMN-FTRWYGJKSA-N 2 2 371.485 0.718 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789952 1221110781 /nfs/dbraw/zinc/11/07/81/1221110781.db2.gz AIMITWYUICMEMN-FTRWYGJKSA-N 2 2 371.485 0.718 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871618 1221143688 /nfs/dbraw/zinc/14/36/88/1221143688.db2.gz BDJLFOYGSLJRSY-JXFKEZNVSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871618 1221143692 /nfs/dbraw/zinc/14/36/92/1221143692.db2.gz BDJLFOYGSLJRSY-JXFKEZNVSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871618 1221143694 /nfs/dbraw/zinc/14/36/94/1221143694.db2.gz BDJLFOYGSLJRSY-JXFKEZNVSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871618 1221143696 /nfs/dbraw/zinc/14/36/96/1221143696.db2.gz BDJLFOYGSLJRSY-JXFKEZNVSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955350 1221183022 /nfs/dbraw/zinc/18/30/22/1221183022.db2.gz JTFSJKGTOZNQKA-DOXZYTNZSA-N 2 2 357.458 0.369 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955350 1221183025 /nfs/dbraw/zinc/18/30/25/1221183025.db2.gz JTFSJKGTOZNQKA-DOXZYTNZSA-N 2 2 357.458 0.369 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955134 1221183313 /nfs/dbraw/zinc/18/33/13/1221183313.db2.gz GXLJLWKAXJULJY-DOXZYTNZSA-N 2 2 359.474 0.922 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955134 1221183315 /nfs/dbraw/zinc/18/33/15/1221183315.db2.gz GXLJLWKAXJULJY-DOXZYTNZSA-N 2 2 359.474 0.922 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386614 1221250671 /nfs/dbraw/zinc/25/06/71/1221250671.db2.gz CRFCLWCFPLONQC-KXBFYZLASA-N 2 2 359.474 0.863 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386614 1221250676 /nfs/dbraw/zinc/25/06/76/1221250676.db2.gz CRFCLWCFPLONQC-KXBFYZLASA-N 2 2 359.474 0.863 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2CC=C)CC1 ZINC001121551675 1222191572 /nfs/dbraw/zinc/19/15/72/1222191572.db2.gz BLXRSGKXZBAKSR-UHFFFAOYSA-N 2 2 358.490 0.391 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@@H]2C1 ZINC001232475891 1226153222 /nfs/dbraw/zinc/15/32/22/1226153222.db2.gz OAZGILCEFLGTRG-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@@H]2C1 ZINC001232475891 1226153224 /nfs/dbraw/zinc/15/32/24/1226153224.db2.gz OAZGILCEFLGTRG-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C#N)ccn3)CC[C@@H]2C1 ZINC001232475891 1226153226 /nfs/dbraw/zinc/15/32/26/1226153226.db2.gz OAZGILCEFLGTRG-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C#N)ccn3)CC[C@@H]2C1 ZINC001232475891 1226153228 /nfs/dbraw/zinc/15/32/28/1226153228.db2.gz OAZGILCEFLGTRG-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277710754 1226166029 /nfs/dbraw/zinc/16/60/29/1226166029.db2.gz BENWLSBHUWVCGZ-SJORKVTESA-N 2 2 360.458 0.149 20 30 FCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711521 1226167100 /nfs/dbraw/zinc/16/71/00/1226167100.db2.gz JKWCCPDCYXXEMF-MJGOQNOKSA-N 2 2 360.458 0.351 20 30 FCEDLP C#CCOC[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711521 1226167102 /nfs/dbraw/zinc/16/71/02/1226167102.db2.gz JKWCCPDCYXXEMF-MJGOQNOKSA-N 2 2 360.458 0.351 20 30 FCEDLP CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158208962 1223090773 /nfs/dbraw/zinc/09/07/73/1223090773.db2.gz BEACTCDMPXJBRB-DGCLKSJQSA-N 2 2 358.402 0.473 20 30 FCEDLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C[NH2+]CCC#N)C2 ZINC001158479499 1223099280 /nfs/dbraw/zinc/09/92/80/1223099280.db2.gz NBSFNDASULWEKS-HNAYVOBHSA-N 2 2 362.474 0.661 20 30 FCEDLP N#Cc1nccnc1N1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160635865 1223167123 /nfs/dbraw/zinc/16/71/23/1223167123.db2.gz FASAMISLTBPOEZ-HNNXBMFYSA-N 2 2 351.414 0.269 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206319775 1223354939 /nfs/dbraw/zinc/35/49/39/1223354939.db2.gz NGKNCNAHBWNWPR-HZPDHXFCSA-N 2 2 357.458 0.101 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206320511 1223355078 /nfs/dbraw/zinc/35/50/78/1223355078.db2.gz ZUWDOBRJITWVRV-USXIJHARSA-N 2 2 371.485 0.490 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206320509 1223355462 /nfs/dbraw/zinc/35/54/62/1223355462.db2.gz ZUWDOBRJITWVRV-DJIMGWMZSA-N 2 2 371.485 0.490 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540776 1223453525 /nfs/dbraw/zinc/45/35/25/1223453525.db2.gz DILGSFGWLWWXEK-NXHRZFHOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540776 1223453527 /nfs/dbraw/zinc/45/35/27/1223453527.db2.gz DILGSFGWLWWXEK-NXHRZFHOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540776 1223453528 /nfs/dbraw/zinc/45/35/28/1223453528.db2.gz DILGSFGWLWWXEK-NXHRZFHOSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540776 1223453530 /nfs/dbraw/zinc/45/35/30/1223453530.db2.gz DILGSFGWLWWXEK-NXHRZFHOSA-N 2 2 360.502 0.579 20 30 FCEDLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)ccc2c[nH+]cn21 ZINC001207789929 1223480275 /nfs/dbraw/zinc/48/02/75/1223480275.db2.gz JNZMRFWRXUPURJ-MLGOLLRUSA-N 2 2 354.414 0.333 20 30 FCEDLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)ccc2c[nH+]cn21 ZINC001207789929 1223480278 /nfs/dbraw/zinc/48/02/78/1223480278.db2.gz JNZMRFWRXUPURJ-MLGOLLRUSA-N 2 2 354.414 0.333 20 30 FCEDLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001210186233 1223672906 /nfs/dbraw/zinc/67/29/06/1223672906.db2.gz QPWPQDCSFIGTMY-ZACQAIPSSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001210186233 1223672912 /nfs/dbraw/zinc/67/29/12/1223672912.db2.gz QPWPQDCSFIGTMY-ZACQAIPSSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210186233 1223672918 /nfs/dbraw/zinc/67/29/18/1223672918.db2.gz QPWPQDCSFIGTMY-ZACQAIPSSA-N 2 2 363.506 0.717 20 30 FCEDLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210186233 1223672923 /nfs/dbraw/zinc/67/29/23/1223672923.db2.gz QPWPQDCSFIGTMY-ZACQAIPSSA-N 2 2 363.506 0.717 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243475 1223677358 /nfs/dbraw/zinc/67/73/58/1223677358.db2.gz LPDCJLICVMGYDI-POAQFYNOSA-N 2 2 370.497 0.865 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243475 1223677362 /nfs/dbraw/zinc/67/73/62/1223677362.db2.gz LPDCJLICVMGYDI-POAQFYNOSA-N 2 2 370.497 0.865 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243475 1223677364 /nfs/dbraw/zinc/67/73/64/1223677364.db2.gz LPDCJLICVMGYDI-POAQFYNOSA-N 2 2 370.497 0.865 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243475 1223677367 /nfs/dbraw/zinc/67/73/67/1223677367.db2.gz LPDCJLICVMGYDI-POAQFYNOSA-N 2 2 370.497 0.865 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598251 1223820710 /nfs/dbraw/zinc/82/07/10/1223820710.db2.gz FFUJSUVMSPGJQJ-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598251 1223820713 /nfs/dbraw/zinc/82/07/13/1223820713.db2.gz FFUJSUVMSPGJQJ-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704485 1223835927 /nfs/dbraw/zinc/83/59/27/1223835927.db2.gz GVKIDOJYDIGHDI-RTBURBONSA-N 2 2 363.502 0.574 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704485 1223835929 /nfs/dbraw/zinc/83/59/29/1223835929.db2.gz GVKIDOJYDIGHDI-RTBURBONSA-N 2 2 363.502 0.574 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226839 1223984018 /nfs/dbraw/zinc/98/40/18/1223984018.db2.gz UKKKULSRFVACMU-BRWVUGGUSA-N 2 2 366.506 0.226 20 30 FCEDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215251113 1223985912 /nfs/dbraw/zinc/98/59/12/1223985912.db2.gz OAJUVVHCVMRJPN-RHSMWYFYSA-N 2 2 366.425 0.562 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216560278 1224055868 /nfs/dbraw/zinc/05/58/68/1224055868.db2.gz BMHXNRYVZSEZIH-CZUORRHYSA-N 2 2 360.462 0.459 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847446352 1245337884 /nfs/dbraw/zinc/33/78/84/1245337884.db2.gz NDCNAIXTACYPHX-UHFFFAOYSA-N 2 2 370.497 0.688 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847446352 1245337886 /nfs/dbraw/zinc/33/78/86/1245337886.db2.gz NDCNAIXTACYPHX-UHFFFAOYSA-N 2 2 370.497 0.688 20 30 FCEDLP C=CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000917167808 1245551825 /nfs/dbraw/zinc/55/18/25/1245551825.db2.gz BHSWIKVGOWUBCL-UHFFFAOYSA-N 2 2 357.462 0.908 20 30 FCEDLP C=CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000917167808 1245551834 /nfs/dbraw/zinc/55/18/34/1245551834.db2.gz BHSWIKVGOWUBCL-UHFFFAOYSA-N 2 2 357.462 0.908 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974873338 1248155595 /nfs/dbraw/zinc/15/55/95/1248155595.db2.gz DDCGSJWVHBUPMD-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974873338 1248155599 /nfs/dbraw/zinc/15/55/99/1248155599.db2.gz DDCGSJWVHBUPMD-FGTMMUONSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001082567960 1256872816 /nfs/dbraw/zinc/87/28/16/1256872816.db2.gz NVXHDMINXFQTTB-OAGGEKHMSA-N 2 2 358.490 0.962 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001082567960 1256872820 /nfs/dbraw/zinc/87/28/20/1256872820.db2.gz NVXHDMINXFQTTB-OAGGEKHMSA-N 2 2 358.490 0.962 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001082568535 1256874150 /nfs/dbraw/zinc/87/41/50/1256874150.db2.gz BMLHBRRDSXOYJT-OAGGEKHMSA-N 2 2 359.478 0.117 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001082568535 1256874164 /nfs/dbraw/zinc/87/41/64/1256874164.db2.gz BMLHBRRDSXOYJT-OAGGEKHMSA-N 2 2 359.478 0.117 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001082568856 1256876175 /nfs/dbraw/zinc/87/61/75/1256876175.db2.gz VUFSRHAJZZRUEZ-LZQZEXGQSA-N 2 2 355.486 0.863 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001082568856 1256876188 /nfs/dbraw/zinc/87/61/88/1256876188.db2.gz VUFSRHAJZZRUEZ-LZQZEXGQSA-N 2 2 355.486 0.863 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001082941263 1257159436 /nfs/dbraw/zinc/15/94/36/1257159436.db2.gz BAIJBXVKPWBGMU-GDBMZVCRSA-N 2 2 359.474 0.914 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958482 1257748048 /nfs/dbraw/zinc/74/80/48/1257748048.db2.gz JBGRMABGMCFZAZ-SJORKVTESA-N 2 2 370.453 0.324 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958482 1257748053 /nfs/dbraw/zinc/74/80/53/1257748053.db2.gz JBGRMABGMCFZAZ-SJORKVTESA-N 2 2 370.453 0.324 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001084059485 1257874724 /nfs/dbraw/zinc/87/47/24/1257874724.db2.gz LAMSMCBLDJYWEB-MSOLQXFVSA-N 2 2 369.425 0.455 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001084059485 1257874739 /nfs/dbraw/zinc/87/47/39/1257874739.db2.gz LAMSMCBLDJYWEB-MSOLQXFVSA-N 2 2 369.425 0.455 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084417825 1258098643 /nfs/dbraw/zinc/09/86/43/1258098643.db2.gz HJUTZVFKSTYLNF-CEXWTWQISA-N 2 2 370.501 0.525 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084417825 1258098645 /nfs/dbraw/zinc/09/86/45/1258098645.db2.gz HJUTZVFKSTYLNF-CEXWTWQISA-N 2 2 370.501 0.525 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084417825 1258098648 /nfs/dbraw/zinc/09/86/48/1258098648.db2.gz HJUTZVFKSTYLNF-CEXWTWQISA-N 2 2 370.501 0.525 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084417825 1258098650 /nfs/dbraw/zinc/09/86/50/1258098650.db2.gz HJUTZVFKSTYLNF-CEXWTWQISA-N 2 2 370.501 0.525 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncn4C)C[C@H]32)CC1 ZINC001084851208 1258399416 /nfs/dbraw/zinc/39/94/16/1258399416.db2.gz RXMOAZALKMEVEQ-IEBWSBKVSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cncn4C)C[C@H]32)CC1 ZINC001084851208 1258399423 /nfs/dbraw/zinc/39/94/23/1258399423.db2.gz RXMOAZALKMEVEQ-IEBWSBKVSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001085100439 1258593195 /nfs/dbraw/zinc/59/31/95/1258593195.db2.gz BSTNQOLOTZXGMY-QAPCUYQASA-N 2 2 357.458 0.838 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001085100439 1258593200 /nfs/dbraw/zinc/59/32/00/1258593200.db2.gz BSTNQOLOTZXGMY-QAPCUYQASA-N 2 2 357.458 0.838 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609980 1259133284 /nfs/dbraw/zinc/13/32/84/1259133284.db2.gz KBGPTSRQXHGGAO-VQIMIIECSA-N 2 2 357.458 0.073 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609980 1259133286 /nfs/dbraw/zinc/13/32/86/1259133286.db2.gz KBGPTSRQXHGGAO-VQIMIIECSA-N 2 2 357.458 0.073 20 30 FCEDLP C=CCOC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717249 1259668348 /nfs/dbraw/zinc/66/83/48/1259668348.db2.gz WBNKXLKSSHGVHT-IAGOWNOFSA-N 2 2 372.517 0.884 20 30 FCEDLP C=CCOC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717249 1259668360 /nfs/dbraw/zinc/66/83/60/1259668360.db2.gz WBNKXLKSSHGVHT-IAGOWNOFSA-N 2 2 372.517 0.884 20 30 FCEDLP C#CCC[NH+]1CCN(c2ncnc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC001336504499 1260154051 /nfs/dbraw/zinc/15/40/51/1260154051.db2.gz BPYKOIBXVKWZEP-UHFFFAOYSA-N 2 2 353.474 0.162 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H](C#N)C3)CC2)CC1 ZINC001262231939 1260284319 /nfs/dbraw/zinc/28/43/19/1260284319.db2.gz QOSXDXHETBMYOG-HNNXBMFYSA-N 2 2 361.490 0.423 20 30 FCEDLP C=C(C)COCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323568681 1264457992 /nfs/dbraw/zinc/45/79/92/1264457992.db2.gz MHUQUNSIFILRQE-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP CN(C(=O)C(=O)NCC1(CC#N)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327746404 1265412736 /nfs/dbraw/zinc/41/27/36/1265412736.db2.gz JVFGZFUHRLGDHK-MRXNPFEDSA-N 2 2 361.490 0.423 20 30 FCEDLP CN(C(=O)C(=O)NCC1(CC#N)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327746404 1265412740 /nfs/dbraw/zinc/41/27/40/1265412740.db2.gz JVFGZFUHRLGDHK-MRXNPFEDSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CC[NH2+]CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001341645254 1269127846 /nfs/dbraw/zinc/12/78/46/1269127846.db2.gz LGJDQPNWEZLAFF-UHFFFAOYSA-N 2 2 358.442 0.186 20 30 FCEDLP C#CC[N@H+]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001574672623 1271476828 /nfs/dbraw/zinc/47/68/28/1271476828.db2.gz CMRKCMGHCFZAPC-LBPRGKRZSA-N 2 2 352.389 0.531 20 30 FCEDLP C#CC[N@@H+]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001574672623 1271476836 /nfs/dbraw/zinc/47/68/36/1271476836.db2.gz CMRKCMGHCFZAPC-LBPRGKRZSA-N 2 2 352.389 0.531 20 30 FCEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001575215942 1271794485 /nfs/dbraw/zinc/79/44/85/1271794485.db2.gz MRWHVKHNGVNENF-TZMCWYRMSA-N 2 2 351.451 0.203 20 30 FCEDLP COCC#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001576952599 1273973429 /nfs/dbraw/zinc/97/34/29/1273973429.db2.gz IIODHJLTDAHIHZ-MRXNPFEDSA-N 2 2 374.489 0.199 20 30 FCEDLP COCC#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001576952599 1273973433 /nfs/dbraw/zinc/97/34/33/1273973433.db2.gz IIODHJLTDAHIHZ-MRXNPFEDSA-N 2 2 374.489 0.199 20 30 FCEDLP CN1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2)CC1 ZINC001578536390 1275965472 /nfs/dbraw/zinc/96/54/72/1275965472.db2.gz OYZZJLQANLOXEF-ZWKOTPCHSA-N 2 2 356.474 0.345 20 30 FCEDLP CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2)CC1 ZINC001578536389 1275965495 /nfs/dbraw/zinc/96/54/95/1275965495.db2.gz OYZZJLQANLOXEF-ROUUACIJSA-N 2 2 356.474 0.345 20 30 FCEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)CC1 ZINC001578537136 1275966589 /nfs/dbraw/zinc/96/65/89/1275966589.db2.gz OWSOLUHXBLRRIM-HVEKOLDVSA-N 3 2 354.458 0.911 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001716099558 1287371460 /nfs/dbraw/zinc/37/14/60/1287371460.db2.gz FATCFVQKALUHES-ARFHVFGLSA-N 2 2 371.416 0.801 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001667893963 1291948509 /nfs/dbraw/zinc/94/85/09/1291948509.db2.gz NYYYSSBPHXILGH-BRWVUGGUSA-N 2 2 353.426 0.662 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177482 839678404 /nfs/dbraw/zinc/67/84/04/839678404.db2.gz NWJROHZUMNNHJQ-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177482 839678411 /nfs/dbraw/zinc/67/84/11/839678411.db2.gz NWJROHZUMNNHJQ-TVFCKZIOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384942 852418432 /nfs/dbraw/zinc/41/84/32/852418432.db2.gz XEPIXQQHWXJWHZ-HUUCEWRRSA-N 2 2 353.488 0.787 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384942 852418438 /nfs/dbraw/zinc/41/84/38/852418438.db2.gz XEPIXQQHWXJWHZ-HUUCEWRRSA-N 2 2 353.488 0.787 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799434 853858764 /nfs/dbraw/zinc/85/87/64/853858764.db2.gz BLPRLKDLVAHWBS-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799434 853858769 /nfs/dbraw/zinc/85/87/69/853858769.db2.gz BLPRLKDLVAHWBS-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799434 853858775 /nfs/dbraw/zinc/85/87/75/853858775.db2.gz BLPRLKDLVAHWBS-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799434 853858781 /nfs/dbraw/zinc/85/87/81/853858781.db2.gz BLPRLKDLVAHWBS-BRWVUGGUSA-N 2 2 350.507 0.846 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001211306959 854174733 /nfs/dbraw/zinc/17/47/33/854174733.db2.gz KNAOXDQXTITTRM-NVXWUHKLSA-N 2 2 369.531 0.203 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001211306959 854174734 /nfs/dbraw/zinc/17/47/34/854174734.db2.gz KNAOXDQXTITTRM-NVXWUHKLSA-N 2 2 369.531 0.203 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1OC ZINC001212420049 854472253 /nfs/dbraw/zinc/47/22/53/854472253.db2.gz SXMKGUOJYAIWQK-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212420049 854472259 /nfs/dbraw/zinc/47/22/59/854472259.db2.gz SXMKGUOJYAIWQK-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1OC ZINC001212420049 854472262 /nfs/dbraw/zinc/47/22/62/854472262.db2.gz SXMKGUOJYAIWQK-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1OC ZINC001212420049 854472268 /nfs/dbraw/zinc/47/22/68/854472268.db2.gz SXMKGUOJYAIWQK-FGTMMUONSA-N 2 2 351.491 0.572 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419849709 246320257 /nfs/dbraw/zinc/32/02/57/246320257.db2.gz ZBOLDIVXVCEGLE-QGZVFWFLSA-N 2 2 355.442 0.071 20 30 FCEDLP NC(=[NH+]OCC(=O)NCC1CC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000154317716 229186903 /nfs/dbraw/zinc/18/69/03/229186903.db2.gz IBGQGKCRDFPXEO-UHFFFAOYSA-N 2 2 360.458 0.806 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000091592192 488465956 /nfs/dbraw/zinc/46/59/56/488465956.db2.gz HKRBXMZRZXRLGI-LJQANCHMSA-N 2 2 370.501 0.896 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000091632017 488466647 /nfs/dbraw/zinc/46/66/47/488466647.db2.gz HCEGDIFSQORSLR-KRWDZBQOSA-N 2 2 373.505 0.234 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000112904661 488536227 /nfs/dbraw/zinc/53/62/27/488536227.db2.gz ICIWNOVWJKLYCY-LJQANCHMSA-N 2 2 362.518 0.781 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000112904661 488536230 /nfs/dbraw/zinc/53/62/30/488536230.db2.gz ICIWNOVWJKLYCY-LJQANCHMSA-N 2 2 362.518 0.781 20 30 FCEDLP C[C@](O)(CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270338 488987591 /nfs/dbraw/zinc/98/75/91/488987591.db2.gz HJSUSCDNHAEJDW-WMZOPIPTSA-N 2 2 355.479 0.670 20 30 FCEDLP C[C@](O)(CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270338 488987594 /nfs/dbraw/zinc/98/75/94/488987594.db2.gz HJSUSCDNHAEJDW-WMZOPIPTSA-N 2 2 355.479 0.670 20 30 FCEDLP C[NH+](C)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000329405645 489001561 /nfs/dbraw/zinc/00/15/61/489001561.db2.gz CPRIDMFRKFBHRB-KRWDZBQOSA-N 2 2 365.522 0.871 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000329434596 489004235 /nfs/dbraw/zinc/00/42/35/489004235.db2.gz LLQAJMDIJSYNAL-UHFFFAOYSA-N 2 2 372.473 0.795 20 30 FCEDLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCN(C)C1=O ZINC000329465607 489007346 /nfs/dbraw/zinc/00/73/46/489007346.db2.gz VPUYETPOAKTHNA-INIZCTEOSA-N 2 2 351.495 0.622 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000329505917 489011331 /nfs/dbraw/zinc/01/13/31/489011331.db2.gz ALFVZODCMHXOAB-HYVNUMGLSA-N 2 2 352.479 0.416 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000329505917 489011335 /nfs/dbraw/zinc/01/13/35/489011335.db2.gz ALFVZODCMHXOAB-HYVNUMGLSA-N 2 2 352.479 0.416 20 30 FCEDLP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329812380 489038420 /nfs/dbraw/zinc/03/84/20/489038420.db2.gz DBJSAEHMPVCEQM-OAHLLOKOSA-N 2 2 360.462 0.651 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329898421 489046864 /nfs/dbraw/zinc/04/68/64/489046864.db2.gz MDWYSARDTZNTAZ-AEFFLSMTSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329898421 489046866 /nfs/dbraw/zinc/04/68/66/489046866.db2.gz MDWYSARDTZNTAZ-AEFFLSMTSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329898421 489046868 /nfs/dbraw/zinc/04/68/68/489046868.db2.gz MDWYSARDTZNTAZ-AEFFLSMTSA-N 2 2 355.479 0.791 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329898421 489046870 /nfs/dbraw/zinc/04/68/70/489046870.db2.gz MDWYSARDTZNTAZ-AEFFLSMTSA-N 2 2 355.479 0.791 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281245867 489062340 /nfs/dbraw/zinc/06/23/40/489062340.db2.gz GMQQZMOZGJOBKW-QGZVFWFLSA-N 2 2 371.485 0.839 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281245867 489062343 /nfs/dbraw/zinc/06/23/43/489062343.db2.gz GMQQZMOZGJOBKW-QGZVFWFLSA-N 2 2 371.485 0.839 20 30 FCEDLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000330122211 489071078 /nfs/dbraw/zinc/07/10/78/489071078.db2.gz ABPPTNJAXLPGRJ-IAGOWNOFSA-N 2 2 368.522 0.979 20 30 FCEDLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000330122211 489071080 /nfs/dbraw/zinc/07/10/80/489071080.db2.gz ABPPTNJAXLPGRJ-IAGOWNOFSA-N 2 2 368.522 0.979 20 30 FCEDLP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000330224465 489082211 /nfs/dbraw/zinc/08/22/11/489082211.db2.gz NSMQBXMLOJCIPX-KZNAEPCWSA-N 2 2 367.538 0.579 20 30 FCEDLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330519632 489111499 /nfs/dbraw/zinc/11/14/99/489111499.db2.gz HPNLMJHEJOKGEZ-CVEARBPZSA-N 2 2 353.511 0.775 20 30 FCEDLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330519632 489111503 /nfs/dbraw/zinc/11/15/03/489111503.db2.gz HPNLMJHEJOKGEZ-CVEARBPZSA-N 2 2 353.511 0.775 20 30 FCEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367887930 489213040 /nfs/dbraw/zinc/21/30/40/489213040.db2.gz WVPIZSXCQYISDS-KRWDZBQOSA-N 2 2 351.491 0.735 20 30 FCEDLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420100126 489912318 /nfs/dbraw/zinc/91/23/18/489912318.db2.gz CBBRKWSWNXUGFQ-YJBOKZPZSA-N 2 2 369.469 0.459 20 30 FCEDLP CC[C@](C)(C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510266070 490503607 /nfs/dbraw/zinc/50/36/07/490503607.db2.gz AZLCVAGJOICMQY-LJQANCHMSA-N 2 2 363.506 0.623 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423008395 490517041 /nfs/dbraw/zinc/51/70/41/490517041.db2.gz ACHKJSSWCJAUAW-KRWDZBQOSA-N 2 2 355.442 0.152 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423011896 490518020 /nfs/dbraw/zinc/51/80/20/490518020.db2.gz JOUGUMXTDHHBPM-IYBDPMFKSA-N 2 2 369.469 0.411 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550279119 490653237 /nfs/dbraw/zinc/65/32/37/490653237.db2.gz COQVTVPNZBVHBA-QGZVFWFLSA-N 2 2 366.506 0.226 20 30 FCEDLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562691425 491180810 /nfs/dbraw/zinc/18/08/10/491180810.db2.gz LNNHUUAIHCXLEQ-UHFFFAOYSA-N 2 2 371.485 0.613 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144053 491719375 /nfs/dbraw/zinc/71/93/75/491719375.db2.gz ZWHZZWWSADNMBW-DLBZAZTESA-N 2 2 358.490 0.902 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144053 491719377 /nfs/dbraw/zinc/71/93/77/491719377.db2.gz ZWHZZWWSADNMBW-DLBZAZTESA-N 2 2 358.490 0.902 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963371 528811043 /nfs/dbraw/zinc/81/10/43/528811043.db2.gz KUHMEBIJKRFRCB-RCCFBDPRSA-N 3 2 359.522 0.731 20 30 FCEDLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000329103596 546543017 /nfs/dbraw/zinc/54/30/17/546543017.db2.gz GERSSURFSMSEBA-QGZVFWFLSA-N 2 2 354.495 0.665 20 30 FCEDLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000329103596 546543021 /nfs/dbraw/zinc/54/30/21/546543021.db2.gz GERSSURFSMSEBA-QGZVFWFLSA-N 2 2 354.495 0.665 20 30 FCEDLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)s1 ZINC000329484612 546555961 /nfs/dbraw/zinc/55/59/61/546555961.db2.gz SJPAQWUCTZEAEP-OAHLLOKOSA-N 2 2 366.535 0.729 20 30 FCEDLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)s1 ZINC000329484612 546555966 /nfs/dbraw/zinc/55/59/66/546555966.db2.gz SJPAQWUCTZEAEP-OAHLLOKOSA-N 2 2 366.535 0.729 20 30 FCEDLP C=CCC1(O)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000886755565 673598019 /nfs/dbraw/zinc/59/80/19/673598019.db2.gz MOFHSIOEZFANCR-KRWDZBQOSA-N 2 2 353.507 0.862 20 30 FCEDLP C=CCC1(O)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000886755565 673598021 /nfs/dbraw/zinc/59/80/21/673598021.db2.gz MOFHSIOEZFANCR-KRWDZBQOSA-N 2 2 353.507 0.862 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891607669 1170711563 /nfs/dbraw/zinc/71/15/63/1170711563.db2.gz PGAVHEBLOAKGKY-QGZVFWFLSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891607669 1170711581 /nfs/dbraw/zinc/71/15/81/1170711581.db2.gz PGAVHEBLOAKGKY-QGZVFWFLSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235012 1171507995 /nfs/dbraw/zinc/50/79/95/1171507995.db2.gz IIWSZMDFWSKUNQ-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235012 1171507996 /nfs/dbraw/zinc/50/79/96/1171507996.db2.gz IIWSZMDFWSKUNQ-ZWKOTPCHSA-N 2 2 351.410 0.816 20 30 FCEDLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC#CCOC ZINC001691766137 1181849340 /nfs/dbraw/zinc/84/93/40/1181849340.db2.gz NQECCIKBTMURAK-YWTNHNAXSA-N 2 2 374.485 0.627 20 30 FCEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001105330251 1183276243 /nfs/dbraw/zinc/27/62/43/1183276243.db2.gz XOJQBSMWPKEWNX-HZPDHXFCSA-N 2 2 355.446 0.864 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[N@@H+]1CC(=O)NCC#N ZINC001691505130 1187838208 /nfs/dbraw/zinc/83/82/08/1187838208.db2.gz WDJXCZWMFDLCST-JKSUJKDBSA-N 2 2 360.462 0.581 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[N@H+]1CC(=O)NCC#N ZINC001691505130 1187838212 /nfs/dbraw/zinc/83/82/12/1187838212.db2.gz WDJXCZWMFDLCST-JKSUJKDBSA-N 2 2 360.462 0.581 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC000983928942 1188400128 /nfs/dbraw/zinc/40/01/28/1188400128.db2.gz YSHUEHJLDDDNGF-OXGONZEZSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC000983928942 1188400133 /nfs/dbraw/zinc/40/01/33/1188400133.db2.gz YSHUEHJLDDDNGF-OXGONZEZSA-N 2 2 357.458 0.785 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363468 1224156424 /nfs/dbraw/zinc/15/64/24/1224156424.db2.gz UNYXBXBLYMJUEP-ZWKOTPCHSA-N 2 2 363.502 0.812 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363468 1224156428 /nfs/dbraw/zinc/15/64/28/1224156428.db2.gz UNYXBXBLYMJUEP-ZWKOTPCHSA-N 2 2 363.502 0.812 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465858 1193795597 /nfs/dbraw/zinc/79/55/97/1193795597.db2.gz WCRDZFARJBQHPN-ZCNNSNEGSA-N 2 2 371.456 0.680 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465858 1193795598 /nfs/dbraw/zinc/79/55/98/1193795598.db2.gz WCRDZFARJBQHPN-ZCNNSNEGSA-N 2 2 371.456 0.680 20 30 FCEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105666645 1193897351 /nfs/dbraw/zinc/89/73/51/1193897351.db2.gz HOPSZYKXEJIKSN-JYBIWHBTSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228978 /nfs/dbraw/zinc/22/89/78/1194228978.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228980 /nfs/dbraw/zinc/22/89/80/1194228980.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228982 /nfs/dbraw/zinc/22/89/82/1194228982.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228985 /nfs/dbraw/zinc/22/89/85/1194228985.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C)c1O ZINC001218935475 1224264919 /nfs/dbraw/zinc/26/49/19/1224264919.db2.gz WZPOGJZGLHFKFK-AWEZNQCLSA-N 2 2 371.397 0.991 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131125 1195247055 /nfs/dbraw/zinc/24/70/55/1195247055.db2.gz NMEBUJQQUOFCAM-FGTMMUONSA-N 2 2 365.437 0.994 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131125 1195247058 /nfs/dbraw/zinc/24/70/58/1195247058.db2.gz NMEBUJQQUOFCAM-FGTMMUONSA-N 2 2 365.437 0.994 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001691765063 1195922499 /nfs/dbraw/zinc/92/24/99/1195922499.db2.gz JMTYEHZSRVEKCN-UWWQBHOKSA-N 2 2 357.458 0.508 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001691765063 1195922502 /nfs/dbraw/zinc/92/25/02/1195922502.db2.gz JMTYEHZSRVEKCN-UWWQBHOKSA-N 2 2 357.458 0.508 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326438 1198170309 /nfs/dbraw/zinc/17/03/09/1198170309.db2.gz HOISPIDUWXQFNL-SJORKVTESA-N 2 2 355.446 0.628 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326438 1198170314 /nfs/dbraw/zinc/17/03/14/1198170314.db2.gz HOISPIDUWXQFNL-SJORKVTESA-N 2 2 355.446 0.628 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129326482 1198173022 /nfs/dbraw/zinc/17/30/22/1198173022.db2.gz IULWIEVZHLLNAG-SJORKVTESA-N 2 2 362.478 0.308 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129326482 1198173036 /nfs/dbraw/zinc/17/30/36/1198173036.db2.gz IULWIEVZHLLNAG-SJORKVTESA-N 2 2 362.478 0.308 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001108575566 1199099742 /nfs/dbraw/zinc/09/97/42/1199099742.db2.gz CWRWLZMFBXEPQE-DJIMGWMZSA-N 2 2 371.485 0.891 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635001 1224539446 /nfs/dbraw/zinc/53/94/46/1224539446.db2.gz NOYBHVJOLLJPOX-UHOSZYNNSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635001 1224539454 /nfs/dbraw/zinc/53/94/54/1224539454.db2.gz NOYBHVJOLLJPOX-UHOSZYNNSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635001 1224539461 /nfs/dbraw/zinc/53/94/61/1224539461.db2.gz NOYBHVJOLLJPOX-UHOSZYNNSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635001 1224539465 /nfs/dbraw/zinc/53/94/65/1224539465.db2.gz NOYBHVJOLLJPOX-UHOSZYNNSA-N 2 2 363.502 0.452 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219652160 1224545425 /nfs/dbraw/zinc/54/54/25/1224545425.db2.gz FJMRQVOUKNSLIF-TVFCKZIOSA-N 2 2 374.485 0.518 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219652160 1224545434 /nfs/dbraw/zinc/54/54/34/1224545434.db2.gz FJMRQVOUKNSLIF-TVFCKZIOSA-N 2 2 374.485 0.518 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067847 1200036953 /nfs/dbraw/zinc/03/69/53/1200036953.db2.gz KFSKMFHCIKGIKK-LTIDMASMSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067847 1200036957 /nfs/dbraw/zinc/03/69/57/1200036957.db2.gz KFSKMFHCIKGIKK-LTIDMASMSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109067847 1200036963 /nfs/dbraw/zinc/03/69/63/1200036963.db2.gz KFSKMFHCIKGIKK-LTIDMASMSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109067847 1200036970 /nfs/dbraw/zinc/03/69/70/1200036970.db2.gz KFSKMFHCIKGIKK-LTIDMASMSA-N 2 2 361.490 0.564 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308066 1200156075 /nfs/dbraw/zinc/15/60/75/1200156075.db2.gz NHWNDRZMCYIAAN-YVSFHVDLSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308066 1200156087 /nfs/dbraw/zinc/15/60/87/1200156087.db2.gz NHWNDRZMCYIAAN-YVSFHVDLSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308065 1200156318 /nfs/dbraw/zinc/15/63/18/1200156318.db2.gz NHWNDRZMCYIAAN-NCOADZHNSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308065 1200156322 /nfs/dbraw/zinc/15/63/22/1200156322.db2.gz NHWNDRZMCYIAAN-NCOADZHNSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399304 1200248710 /nfs/dbraw/zinc/24/87/10/1200248710.db2.gz FSSOCQOVYVGXBT-MHORFTMASA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399304 1200248719 /nfs/dbraw/zinc/24/87/19/1200248719.db2.gz FSSOCQOVYVGXBT-MHORFTMASA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399304 1200248730 /nfs/dbraw/zinc/24/87/30/1200248730.db2.gz FSSOCQOVYVGXBT-MHORFTMASA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399304 1200248735 /nfs/dbraw/zinc/24/87/35/1200248735.db2.gz FSSOCQOVYVGXBT-MHORFTMASA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474592 1200308444 /nfs/dbraw/zinc/30/84/44/1200308444.db2.gz ZWBQHVAGHYKRJO-VSZNYVQBSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474592 1200308450 /nfs/dbraw/zinc/30/84/50/1200308450.db2.gz ZWBQHVAGHYKRJO-VSZNYVQBSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474592 1200308462 /nfs/dbraw/zinc/30/84/62/1200308462.db2.gz ZWBQHVAGHYKRJO-VSZNYVQBSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474592 1200308472 /nfs/dbraw/zinc/30/84/72/1200308472.db2.gz ZWBQHVAGHYKRJO-VSZNYVQBSA-N 2 2 360.502 0.578 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653592 1200445929 /nfs/dbraw/zinc/44/59/29/1200445929.db2.gz YRHNWSQYZRFCTC-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653592 1200445932 /nfs/dbraw/zinc/44/59/32/1200445932.db2.gz YRHNWSQYZRFCTC-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001109731891 1200493509 /nfs/dbraw/zinc/49/35/09/1200493509.db2.gz RJWCCDKEZGDYKQ-QZWWFDLISA-N 2 2 363.506 0.810 20 30 FCEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001109731891 1200493511 /nfs/dbraw/zinc/49/35/11/1200493511.db2.gz RJWCCDKEZGDYKQ-QZWWFDLISA-N 2 2 363.506 0.810 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846617 1200560062 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1200615961 /nfs/dbraw/zinc/61/59/61/1200615961.db2.gz ZUQCRWJRFOGBSC-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928524 1200615969 /nfs/dbraw/zinc/61/59/69/1200615969.db2.gz ZUQCRWJRFOGBSC-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928524 1200615979 /nfs/dbraw/zinc/61/59/79/1200615979.db2.gz ZUQCRWJRFOGBSC-ILXRZTDVSA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941066 1201439205 /nfs/dbraw/zinc/43/92/05/1201439205.db2.gz IGRHFHADLFUCQS-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130220483 1201543048 /nfs/dbraw/zinc/54/30/48/1201543048.db2.gz AFHNGNRJIKAKND-ZNMIVQPWSA-N 2 2 362.478 0.247 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130220674 1201549632 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/nfs/dbraw/zinc/48/74/11/1207487411.db2.gz PZYYAZQQLYKGII-GVDBMIGSSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918767 1207487414 /nfs/dbraw/zinc/48/74/14/1207487414.db2.gz PZYYAZQQLYKGII-GVDBMIGSSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918767 1207487417 /nfs/dbraw/zinc/48/74/17/1207487417.db2.gz PZYYAZQQLYKGII-GVDBMIGSSA-N 2 2 361.490 0.281 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193754816 1207889948 /nfs/dbraw/zinc/88/99/48/1207889948.db2.gz BTNBKNAVYXYKFG-FGTMMUONSA-N 2 2 363.506 0.721 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309494 1207931510 /nfs/dbraw/zinc/93/15/10/1207931510.db2.gz UIXNBGTYCQEWJF-IAOVAPTHSA-N 2 2 371.441 0.108 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309494 1207931514 /nfs/dbraw/zinc/93/15/14/1207931514.db2.gz UIXNBGTYCQEWJF-IAOVAPTHSA-N 2 2 371.441 0.108 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195973207 1208048539 /nfs/dbraw/zinc/04/85/39/1208048539.db2.gz QIRLIDGEUQNJII-JFIYKMOQSA-N 2 2 368.522 0.159 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690710 1208186385 /nfs/dbraw/zinc/18/63/85/1208186385.db2.gz WZEQVOCVIBDMPK-GGPKGHCWSA-N 2 2 361.486 0.827 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690710 1208186387 /nfs/dbraw/zinc/18/63/87/1208186387.db2.gz WZEQVOCVIBDMPK-GGPKGHCWSA-N 2 2 361.486 0.827 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104477 1208318310 /nfs/dbraw/zinc/31/83/10/1208318310.db2.gz NGJFAAFZPNFXSD-GVDBMIGSSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104477 1208318314 /nfs/dbraw/zinc/31/83/14/1208318314.db2.gz NGJFAAFZPNFXSD-GVDBMIGSSA-N 2 2 368.522 0.301 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104477 1208318316 /nfs/dbraw/zinc/31/83/16/1208318316.db2.gz NGJFAAFZPNFXSD-GVDBMIGSSA-N 2 2 368.522 0.301 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220915274 1225137829 /nfs/dbraw/zinc/13/78/29/1225137829.db2.gz UQOPBJQRSKBPLT-YWZLYKJASA-N 2 2 367.453 0.231 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001220933351 1225147673 /nfs/dbraw/zinc/14/76/73/1225147673.db2.gz VOKDLJANCZTZOH-UHFFFAOYSA-N 2 2 371.485 0.954 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809251 1209886351 /nfs/dbraw/zinc/88/63/51/1209886351.db2.gz ZSQCELMAGGPCJV-OIISXLGYSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809251 1209886352 /nfs/dbraw/zinc/88/63/52/1209886352.db2.gz ZSQCELMAGGPCJV-OIISXLGYSA-N 2 2 351.410 0.419 20 30 FCEDLP O=C(NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202150 1210179259 /nfs/dbraw/zinc/17/92/59/1210179259.db2.gz WQKKFQGTKFDVPJ-JONULYECSA-N 2 2 370.453 0.739 20 30 FCEDLP O=C(NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202150 1210179263 /nfs/dbraw/zinc/17/92/63/1210179263.db2.gz WQKKFQGTKFDVPJ-JONULYECSA-N 2 2 370.453 0.739 20 30 FCEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876721700 1210425096 /nfs/dbraw/zinc/42/50/96/1210425096.db2.gz LHPVJMPQTCRLAR-SFHVURJKSA-N 2 2 355.442 0.025 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847406 1210992303 /nfs/dbraw/zinc/99/23/03/1210992303.db2.gz PYTSKRJFPYAWTM-VXIBKDFQSA-N 2 2 358.486 0.332 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847406 1210992305 /nfs/dbraw/zinc/99/23/05/1210992305.db2.gz PYTSKRJFPYAWTM-VXIBKDFQSA-N 2 2 358.486 0.332 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C(C)C ZINC001111162792 1211906802 /nfs/dbraw/zinc/90/68/02/1211906802.db2.gz KFESVPCKEWFNNG-CBZIJGRNSA-N 2 2 363.506 0.714 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C(C)C ZINC001111162792 1211906805 /nfs/dbraw/zinc/90/68/05/1211906805.db2.gz KFESVPCKEWFNNG-CBZIJGRNSA-N 2 2 363.506 0.714 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000950802882 1212680249 /nfs/dbraw/zinc/68/02/49/1212680249.db2.gz JPDQYKOLMBDDTK-NVXWUHKLSA-N 2 2 357.458 0.191 20 30 FCEDLP C[NH+](C)C1(CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001221713813 1225453719 /nfs/dbraw/zinc/45/37/19/1225453719.db2.gz AAPTWIVWLHLOHQ-HZPDHXFCSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+](C)C1(CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001221713813 1225453722 /nfs/dbraw/zinc/45/37/22/1225453722.db2.gz AAPTWIVWLHLOHQ-HZPDHXFCSA-N 2 2 361.490 0.423 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878206 1225519173 /nfs/dbraw/zinc/51/91/73/1225519173.db2.gz HACZFTYSACKYBA-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878206 1225519175 /nfs/dbraw/zinc/51/91/75/1225519175.db2.gz HACZFTYSACKYBA-IAGOWNOFSA-N 2 2 363.506 0.623 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952056 1225550569 /nfs/dbraw/zinc/55/05/69/1225550569.db2.gz OCYNVXFELHZPLW-HDMKZQKVSA-N 2 2 371.485 0.985 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952056 1225550573 /nfs/dbraw/zinc/55/05/73/1225550573.db2.gz OCYNVXFELHZPLW-HDMKZQKVSA-N 2 2 371.485 0.985 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222093810 1225598331 /nfs/dbraw/zinc/59/83/31/1225598331.db2.gz OIBUERDBVAWXNP-KZNAEPCWSA-N 2 2 371.485 0.983 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222093810 1225598336 /nfs/dbraw/zinc/59/83/36/1225598336.db2.gz OIBUERDBVAWXNP-KZNAEPCWSA-N 2 2 371.485 0.983 20 30 FCEDLP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000020559 1215995741 /nfs/dbraw/zinc/99/57/41/1215995741.db2.gz NNSHZDHGAHWXNT-GVDBMIGSSA-N 2 2 367.457 0.702 20 30 FCEDLP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000020559 1215995746 /nfs/dbraw/zinc/99/57/46/1215995746.db2.gz NNSHZDHGAHWXNT-GVDBMIGSSA-N 2 2 367.457 0.702 20 30 FCEDLP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022342 1215996972 /nfs/dbraw/zinc/99/69/72/1215996972.db2.gz VGGPQPCOEWZEDY-GVDBMIGSSA-N 2 2 367.457 0.702 20 30 FCEDLP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001000022342 1215996975 /nfs/dbraw/zinc/99/69/75/1215996975.db2.gz VGGPQPCOEWZEDY-GVDBMIGSSA-N 2 2 367.457 0.702 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949323 1216861978 /nfs/dbraw/zinc/86/19/78/1216861978.db2.gz QYBZYKUZQBSOQM-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949323 1216861979 /nfs/dbraw/zinc/86/19/79/1216861979.db2.gz QYBZYKUZQBSOQM-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949323 1216861981 /nfs/dbraw/zinc/86/19/81/1216861981.db2.gz QYBZYKUZQBSOQM-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949323 1216861986 /nfs/dbraw/zinc/86/19/86/1216861986.db2.gz QYBZYKUZQBSOQM-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963499 1216870366 /nfs/dbraw/zinc/87/03/66/1216870366.db2.gz JTKVYAITTJGEDT-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963499 1216870367 /nfs/dbraw/zinc/87/03/67/1216870367.db2.gz JTKVYAITTJGEDT-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046723 1216922607 /nfs/dbraw/zinc/92/26/07/1216922607.db2.gz LDCVINLTHHBFAO-SQNIBIBYSA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046723 1216922611 /nfs/dbraw/zinc/92/26/11/1216922611.db2.gz LDCVINLTHHBFAO-SQNIBIBYSA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046723 1216922615 /nfs/dbraw/zinc/92/26/15/1216922615.db2.gz LDCVINLTHHBFAO-SQNIBIBYSA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046723 1216922617 /nfs/dbraw/zinc/92/26/17/1216922617.db2.gz LDCVINLTHHBFAO-SQNIBIBYSA-N 2 2 358.490 0.906 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC001096307853 1218233911 /nfs/dbraw/zinc/23/39/11/1218233911.db2.gz NWMCVGGQJQPJBQ-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC001096307853 1218233915 /nfs/dbraw/zinc/23/39/15/1218233915.db2.gz NWMCVGGQJQPJBQ-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212574 1225866493 /nfs/dbraw/zinc/86/64/93/1225866493.db2.gz SWYYWKXJHPSSLH-HUUCEWRRSA-N 2 2 361.446 0.116 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070198216 1219287778 /nfs/dbraw/zinc/28/77/78/1219287778.db2.gz UFGWGNNILYEGES-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1cn(C)cn1 ZINC001070494648 1219438016 /nfs/dbraw/zinc/43/80/16/1219438016.db2.gz AWCJAJODVOYFPB-FUHWJXTLSA-N 2 2 366.469 0.713 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070914994 1219568755 /nfs/dbraw/zinc/56/87/55/1219568755.db2.gz LOUBAQKQVFPXHP-OAGGEKHMSA-N 2 2 359.430 0.483 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070914994 1219568760 /nfs/dbraw/zinc/56/87/60/1219568760.db2.gz LOUBAQKQVFPXHP-OAGGEKHMSA-N 2 2 359.430 0.483 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)n2)CC1 ZINC001098462872 1219787939 /nfs/dbraw/zinc/78/79/39/1219787939.db2.gz RGJCZZPMPXAWJS-QRVBRYPASA-N 2 2 355.486 0.987 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)n2)CC1 ZINC001098462872 1219787942 /nfs/dbraw/zinc/78/79/42/1219787942.db2.gz RGJCZZPMPXAWJS-QRVBRYPASA-N 2 2 355.486 0.987 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nncn2C)C3)CC1 ZINC001099174318 1219940158 /nfs/dbraw/zinc/94/01/58/1219940158.db2.gz HPWFXRCGLXACKB-PXNSSMCTSA-N 2 2 370.501 0.631 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nncn2C)C3)CC1 ZINC001099174318 1219940161 /nfs/dbraw/zinc/94/01/61/1219940161.db2.gz HPWFXRCGLXACKB-PXNSSMCTSA-N 2 2 370.501 0.631 20 30 FCEDLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376587 1220309079 /nfs/dbraw/zinc/30/90/79/1220309079.db2.gz GVBOJKPXYVPEOG-RKVPGOIHSA-N 2 2 358.446 0.254 20 30 FCEDLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376587 1220309082 /nfs/dbraw/zinc/30/90/82/1220309082.db2.gz GVBOJKPXYVPEOG-RKVPGOIHSA-N 2 2 358.446 0.254 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229261408 1225992757 /nfs/dbraw/zinc/99/27/57/1225992757.db2.gz CFGNGVJENAUGIG-NUEKZKHPSA-N 2 2 359.474 0.795 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159352 1220841662 /nfs/dbraw/zinc/84/16/62/1220841662.db2.gz FMXSSIPMQFVBAM-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159352 1220841663 /nfs/dbraw/zinc/84/16/63/1220841663.db2.gz FMXSSIPMQFVBAM-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001103472091 1220887646 /nfs/dbraw/zinc/88/76/46/1220887646.db2.gz BPTJJTASUINADX-INMHGKMJSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001103472091 1220887648 /nfs/dbraw/zinc/88/76/48/1220887648.db2.gz BPTJJTASUINADX-INMHGKMJSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001103472090 1220888095 /nfs/dbraw/zinc/88/80/95/1220888095.db2.gz BPTJJTASUINADX-BFYDXBDKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001103472090 1220888098 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OKBJTXXDHCJAPR-SJLPKXTDSA-N 2 2 371.485 0.237 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208676363 1223569014 /nfs/dbraw/zinc/56/90/14/1223569014.db2.gz OKBJTXXDHCJAPR-SJLPKXTDSA-N 2 2 371.485 0.237 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208676363 1223569017 /nfs/dbraw/zinc/56/90/17/1223569017.db2.gz OKBJTXXDHCJAPR-SJLPKXTDSA-N 2 2 371.485 0.237 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208676363 1223569019 /nfs/dbraw/zinc/56/90/19/1223569019.db2.gz OKBJTXXDHCJAPR-SJLPKXTDSA-N 2 2 371.485 0.237 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209497998 1223625052 /nfs/dbraw/zinc/62/50/52/1223625052.db2.gz BTDHHSZLZFVAPK-HLLBOEOZSA-N 2 2 359.474 0.546 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209497998 1223625059 /nfs/dbraw/zinc/62/50/59/1223625059.db2.gz BTDHHSZLZFVAPK-HLLBOEOZSA-N 2 2 359.474 0.546 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283581 1223680388 /nfs/dbraw/zinc/68/03/88/1223680388.db2.gz KKXJJUAGJWQTFU-NVXWUHKLSA-N 2 2 361.490 0.824 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283581 1223680391 /nfs/dbraw/zinc/68/03/91/1223680391.db2.gz KKXJJUAGJWQTFU-NVXWUHKLSA-N 2 2 361.490 0.824 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346661 1223788907 /nfs/dbraw/zinc/78/89/07/1223788907.db2.gz XMTBWOFFWPLEPR-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346661 1223788910 /nfs/dbraw/zinc/78/89/10/1223788910.db2.gz XMTBWOFFWPLEPR-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526303 1223809258 /nfs/dbraw/zinc/80/92/58/1223809258.db2.gz HEVQRVUVBYFMDJ-DJIMGWMZSA-N 2 2 366.506 0.224 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526303 1223809261 /nfs/dbraw/zinc/80/92/61/1223809261.db2.gz HEVQRVUVBYFMDJ-DJIMGWMZSA-N 2 2 366.506 0.224 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213624894 1223824646 /nfs/dbraw/zinc/82/46/46/1223824646.db2.gz GSCITCRBWFYQAE-QZTJIDSGSA-N 2 2 369.425 0.346 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213624894 1223824648 /nfs/dbraw/zinc/82/46/48/1223824648.db2.gz GSCITCRBWFYQAE-QZTJIDSGSA-N 2 2 369.425 0.346 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764763 1223846108 /nfs/dbraw/zinc/84/61/08/1223846108.db2.gz BKIDNKXNHWLAFZ-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764763 1223846109 /nfs/dbraw/zinc/84/61/09/1223846109.db2.gz BKIDNKXNHWLAFZ-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764763 1223846111 /nfs/dbraw/zinc/84/61/11/1223846111.db2.gz BKIDNKXNHWLAFZ-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213764763 1223846112 /nfs/dbraw/zinc/84/61/12/1223846112.db2.gz BKIDNKXNHWLAFZ-BRWVUGGUSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672055 1223930480 /nfs/dbraw/zinc/93/04/80/1223930480.db2.gz FCBVATQNYWZKMX-BFYDXBDKSA-N 2 2 371.485 0.336 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814443 1223945085 /nfs/dbraw/zinc/94/50/85/1223945085.db2.gz VBQDWUZVNULOHD-NVXWUHKLSA-N 2 2 359.474 0.979 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814443 1223945087 /nfs/dbraw/zinc/94/50/87/1223945087.db2.gz VBQDWUZVNULOHD-NVXWUHKLSA-N 2 2 359.474 0.979 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993571285 1249712646 /nfs/dbraw/zinc/71/26/46/1249712646.db2.gz UUGXDZAIRWPYEY-IAGOWNOFSA-N 2 2 371.485 0.586 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000994135851 1250214278 /nfs/dbraw/zinc/21/42/78/1250214278.db2.gz LWGFLQCQAPOWHS-SJLPKXTDSA-N 2 2 371.485 0.439 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001080997426 1256131641 /nfs/dbraw/zinc/13/16/41/1256131641.db2.gz CLWXZQSKYMAMJY-RHSMWYFYSA-N 2 2 360.458 0.965 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001080997426 1256131644 /nfs/dbraw/zinc/13/16/44/1256131644.db2.gz CLWXZQSKYMAMJY-RHSMWYFYSA-N 2 2 360.458 0.965 20 30 FCEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952969 1257740220 /nfs/dbraw/zinc/74/02/20/1257740220.db2.gz BQNYIKXNXXEAOG-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952969 1257740222 /nfs/dbraw/zinc/74/02/22/1257740222.db2.gz BQNYIKXNXXEAOG-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952969 1257740227 /nfs/dbraw/zinc/74/02/27/1257740227.db2.gz BQNYIKXNXXEAOG-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952969 1257740231 /nfs/dbraw/zinc/74/02/31/1257740231.db2.gz BQNYIKXNXXEAOG-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953324 1257741671 /nfs/dbraw/zinc/74/16/71/1257741671.db2.gz OFERIKIKNGOXHO-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953324 1257741680 /nfs/dbraw/zinc/74/16/80/1257741680.db2.gz OFERIKIKNGOXHO-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953324 1257741686 /nfs/dbraw/zinc/74/16/86/1257741686.db2.gz OFERIKIKNGOXHO-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953324 1257741694 /nfs/dbraw/zinc/74/16/94/1257741694.db2.gz OFERIKIKNGOXHO-OLMNPRSZSA-N 2 2 360.433 0.700 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001084833218 1258379794 /nfs/dbraw/zinc/37/97/94/1258379794.db2.gz UCBJRIRPNZXRLL-BRWVUGGUSA-N 2 2 357.458 0.511 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001084833218 1258379802 /nfs/dbraw/zinc/37/98/02/1258379802.db2.gz UCBJRIRPNZXRLL-BRWVUGGUSA-N 2 2 357.458 0.511 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccnn3C)[C@H]2C1 ZINC001084961163 1258472803 /nfs/dbraw/zinc/47/28/03/1258472803.db2.gz OWWLRMVKEMABAX-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccnn3C)[C@H]2C1 ZINC001084961163 1258472806 /nfs/dbraw/zinc/47/28/06/1258472806.db2.gz OWWLRMVKEMABAX-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccnn3C)[C@H]2C1 ZINC001084961163 1258472810 /nfs/dbraw/zinc/47/28/10/1258472810.db2.gz OWWLRMVKEMABAX-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccnn3C)[C@H]2C1 ZINC001084961163 1258472812 /nfs/dbraw/zinc/47/28/12/1258472812.db2.gz OWWLRMVKEMABAX-NEWSRXKRSA-N 2 2 355.486 0.941 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085001708 1258510018 /nfs/dbraw/zinc/51/00/18/1258510018.db2.gz YMTMFHLTCGDNSQ-BZSNNMDCSA-N 2 2 371.485 0.983 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085001708 1258510020 /nfs/dbraw/zinc/51/00/20/1258510020.db2.gz YMTMFHLTCGDNSQ-BZSNNMDCSA-N 2 2 371.485 0.983 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C)[C@H]3C2)CC1 ZINC001085100543 1258594199 /nfs/dbraw/zinc/59/41/99/1258594199.db2.gz LEYYRVBOJBTBFW-AEFFLSMTSA-N 2 2 370.501 0.583 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C)[C@H]3C2)CC1 ZINC001085100543 1258594203 /nfs/dbraw/zinc/59/42/03/1258594203.db2.gz LEYYRVBOJBTBFW-AEFFLSMTSA-N 2 2 370.501 0.583 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848250 1258867556 /nfs/dbraw/zinc/86/75/56/1258867556.db2.gz SGHUXQDDRRKFRK-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848250 1258867563 /nfs/dbraw/zinc/86/75/63/1258867563.db2.gz SGHUXQDDRRKFRK-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655114 1258934391 /nfs/dbraw/zinc/93/43/91/1258934391.db2.gz CFNPPKBMEGJFEH-RBSFLKMASA-N 2 2 357.458 0.263 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652036 1259144386 /nfs/dbraw/zinc/14/43/86/1259144386.db2.gz WZPPTWSGXXHWEP-YLJYHZDGSA-N 2 2 371.485 0.774 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652036 1259144388 /nfs/dbraw/zinc/14/43/88/1259144388.db2.gz WZPPTWSGXXHWEP-YLJYHZDGSA-N 2 2 371.485 0.774 20 30 FCEDLP CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127997059 1259190540 /nfs/dbraw/zinc/19/05/40/1259190540.db2.gz ITTGKTNXSSGSGE-OWCLPIDISA-N 2 2 358.490 0.552 20 30 FCEDLP CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127997059 1259190543 /nfs/dbraw/zinc/19/05/43/1259190543.db2.gz ITTGKTNXSSGSGE-OWCLPIDISA-N 2 2 358.490 0.552 20 30 FCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276813 1259363053 /nfs/dbraw/zinc/36/30/53/1259363053.db2.gz VWVODSDAPSTRNF-MOPGFXCFSA-N 2 2 368.485 0.980 20 30 FCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276813 1259363058 /nfs/dbraw/zinc/36/30/58/1259363058.db2.gz VWVODSDAPSTRNF-MOPGFXCFSA-N 2 2 368.485 0.980 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276813 1259363066 /nfs/dbraw/zinc/36/30/66/1259363066.db2.gz VWVODSDAPSTRNF-MOPGFXCFSA-N 2 2 368.485 0.980 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276813 1259363068 /nfs/dbraw/zinc/36/30/68/1259363068.db2.gz VWVODSDAPSTRNF-MOPGFXCFSA-N 2 2 368.485 0.980 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001337895519 1260513423 /nfs/dbraw/zinc/51/34/23/1260513423.db2.gz RNDSFNRQTIDPBL-HNNXBMFYSA-N 2 2 372.473 0.302 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001337895519 1260513430 /nfs/dbraw/zinc/51/34/30/1260513430.db2.gz RNDSFNRQTIDPBL-HNNXBMFYSA-N 2 2 372.473 0.302 20 30 FCEDLP N#CC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4c[nH+]ccc4N)[C@@H]3C2)CCOCC1 ZINC001279616502 1260899769 /nfs/dbraw/zinc/89/97/69/1260899769.db2.gz LZATXBMCJPXTAE-WMLDXEAASA-N 2 2 355.442 0.847 20 30 FCEDLP N#CC1(C(=O)N2C[C@@H]3CC[N@H+](Cc4c[nH+]ccc4N)[C@@H]3C2)CCOCC1 ZINC001279616502 1260899775 /nfs/dbraw/zinc/89/97/75/1260899775.db2.gz LZATXBMCJPXTAE-WMLDXEAASA-N 2 2 355.442 0.847 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC(C#N)CC3)CC2)CC1 ZINC001322021291 1264133819 /nfs/dbraw/zinc/13/38/19/1264133819.db2.gz PGTGXGMWOUHJIP-UHFFFAOYSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH3+])CC1 ZINC001574673966 1271479678 /nfs/dbraw/zinc/47/96/78/1271479678.db2.gz SGXUYDHGKIORPI-OAHLLOKOSA-N 2 2 353.474 0.999 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001574706237 1271496730 /nfs/dbraw/zinc/49/67/30/1271496730.db2.gz AFHPYBCFEPOZSP-FGTMMUONSA-N 2 2 372.517 0.925 20 30 FCEDLP COCC#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001576952597 1273974172 /nfs/dbraw/zinc/97/41/72/1273974172.db2.gz IIODHJLTDAHIHZ-INIZCTEOSA-N 2 2 374.489 0.199 20 30 FCEDLP COCC#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001576952597 1273974178 /nfs/dbraw/zinc/97/41/78/1273974178.db2.gz IIODHJLTDAHIHZ-INIZCTEOSA-N 2 2 374.489 0.199 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588350954 1282443695 /nfs/dbraw/zinc/44/36/95/1282443695.db2.gz BNFFFLSETTZBHO-INIZCTEOSA-N 2 2 368.445 0.302 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001588350954 1282443704 /nfs/dbraw/zinc/44/37/04/1282443704.db2.gz BNFFFLSETTZBHO-INIZCTEOSA-N 2 2 368.445 0.302 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102056119 844400177 /nfs/dbraw/zinc/40/01/77/844400177.db2.gz OUMJIWDDJHWZGT-ZACQAIPSSA-N 2 2 369.531 0.203 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102056119 844400182 /nfs/dbraw/zinc/40/01/82/844400182.db2.gz OUMJIWDDJHWZGT-ZACQAIPSSA-N 2 2 369.531 0.203 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102056119 844400186 /nfs/dbraw/zinc/40/01/86/844400186.db2.gz OUMJIWDDJHWZGT-ZACQAIPSSA-N 2 2 369.531 0.203 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102056119 844400191 /nfs/dbraw/zinc/40/01/91/844400191.db2.gz OUMJIWDDJHWZGT-ZACQAIPSSA-N 2 2 369.531 0.203 20 30 FCEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174604 839379179 /nfs/dbraw/zinc/37/91/79/839379179.db2.gz QFYJQCFRYGMOMP-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174604 839379186 /nfs/dbraw/zinc/37/91/86/839379186.db2.gz QFYJQCFRYGMOMP-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174604 839379194 /nfs/dbraw/zinc/37/91/94/839379194.db2.gz QFYJQCFRYGMOMP-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078174604 839379205 /nfs/dbraw/zinc/37/92/05/839379205.db2.gz QFYJQCFRYGMOMP-KBAYOESNSA-N 2 2 361.873 0.805 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318780 849097219 /nfs/dbraw/zinc/09/72/19/849097219.db2.gz PWJLOSSZOXALQD-XHSDSOJGSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318780 849097230 /nfs/dbraw/zinc/09/72/30/849097230.db2.gz PWJLOSSZOXALQD-XHSDSOJGSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318780 849097238 /nfs/dbraw/zinc/09/72/38/849097238.db2.gz PWJLOSSZOXALQD-XHSDSOJGSA-N 2 2 350.463 0.619 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318780 849097247 /nfs/dbraw/zinc/09/72/47/849097247.db2.gz PWJLOSSZOXALQD-XHSDSOJGSA-N 2 2 350.463 0.619 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](C)C ZINC001193954497 852515941 /nfs/dbraw/zinc/51/59/41/852515941.db2.gz VEGJBEZROYWEME-OAGGEKHMSA-N 2 2 350.488 0.867 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](C)C ZINC001193954497 852515946 /nfs/dbraw/zinc/51/59/46/852515946.db2.gz VEGJBEZROYWEME-OAGGEKHMSA-N 2 2 350.488 0.867 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996383 852689514 /nfs/dbraw/zinc/68/95/14/852689514.db2.gz BJDKBNWSRNLOPT-QZTJIDSGSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996383 852689524 /nfs/dbraw/zinc/68/95/24/852689524.db2.gz BJDKBNWSRNLOPT-QZTJIDSGSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996383 852689531 /nfs/dbraw/zinc/68/95/31/852689531.db2.gz BJDKBNWSRNLOPT-QZTJIDSGSA-N 2 2 351.491 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194996383 852689545 /nfs/dbraw/zinc/68/95/45/852689545.db2.gz BJDKBNWSRNLOPT-QZTJIDSGSA-N 2 2 351.491 0.452 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](C)C ZINC001195973498 852858636 /nfs/dbraw/zinc/85/86/36/852858636.db2.gz VEGJBEZROYWEME-BZUAXINKSA-N 2 2 350.488 0.867 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](C)C ZINC001195973498 852858646 /nfs/dbraw/zinc/85/86/46/852858646.db2.gz VEGJBEZROYWEME-BZUAXINKSA-N 2 2 350.488 0.867 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375045 854184983 /nfs/dbraw/zinc/18/49/83/854184983.db2.gz XOKJJNDQRAXPOU-NUJGCVRESA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375045 854184988 /nfs/dbraw/zinc/18/49/88/854184988.db2.gz XOKJJNDQRAXPOU-NUJGCVRESA-N 2 2 350.507 0.846 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1OC ZINC001212420009 854472283 /nfs/dbraw/zinc/47/22/83/854472283.db2.gz RAZGXXXAGOBJRA-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212420009 854472288 /nfs/dbraw/zinc/47/22/88/854472288.db2.gz RAZGXXXAGOBJRA-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@H]1OC ZINC001212420009 854472293 /nfs/dbraw/zinc/47/22/93/854472293.db2.gz RAZGXXXAGOBJRA-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@H]1OC ZINC001212420009 854472296 /nfs/dbraw/zinc/47/22/96/854472296.db2.gz RAZGXXXAGOBJRA-FGTMMUONSA-N 2 2 351.491 0.716 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835089 857755967 /nfs/dbraw/zinc/75/59/67/857755967.db2.gz FLBNFZZXFYGPOY-WMZOPIPTSA-N 2 2 352.475 0.737 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835089 857755973 /nfs/dbraw/zinc/75/59/73/857755973.db2.gz FLBNFZZXFYGPOY-WMZOPIPTSA-N 2 2 352.475 0.737 20 30 FCEDLP C=CC1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001326907906 870565139 /nfs/dbraw/zinc/56/51/39/870565139.db2.gz RLWCPKLRXCIYJF-UHFFFAOYSA-N 2 2 350.507 0.895 20 30 FCEDLP C=CC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001326907906 870565151 /nfs/dbraw/zinc/56/51/51/870565151.db2.gz RLWCPKLRXCIYJF-UHFFFAOYSA-N 2 2 350.507 0.895 20 30 FCEDLP C[N@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000267280028 529853307 /nfs/dbraw/zinc/85/33/07/529853307.db2.gz GTTAGKCLWCMKGY-UHFFFAOYSA-N 3 2 351.470 0.884 20 30 FCEDLP C[N@@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000267280028 529853308 /nfs/dbraw/zinc/85/33/08/529853308.db2.gz GTTAGKCLWCMKGY-UHFFFAOYSA-N 3 2 351.470 0.884 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419853630 246323799 /nfs/dbraw/zinc/32/37/99/246323799.db2.gz FFHXFFSEQHNDOR-GOSISDBHSA-N 2 2 369.469 0.318 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000423618946 247079632 /nfs/dbraw/zinc/07/96/32/247079632.db2.gz ZNHDBUKVXBOCOP-UHFFFAOYSA-N 2 2 355.442 0.024 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423635822 247085254 /nfs/dbraw/zinc/08/52/54/247085254.db2.gz RTQLPHOALGYIES-CVEARBPZSA-N 2 2 369.469 0.411 20 30 FCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303880453 488893140 /nfs/dbraw/zinc/89/31/40/488893140.db2.gz KGTMVRZBDVUDKN-RDJZCZTQSA-N 3 2 355.552 0.583 20 30 FCEDLP CO[C@H]1C[C@@H](CO)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000329126843 488971751 /nfs/dbraw/zinc/97/17/51/488971751.db2.gz MUCWDFNLQRYTHW-IRXDYDNUSA-N 2 2 354.495 0.541 20 30 FCEDLP C=CC[N@@H+](CCOC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000191110789 488419162 /nfs/dbraw/zinc/41/91/62/488419162.db2.gz LLRRUZFWFJRBTB-UHFFFAOYSA-N 2 2 373.461 0.146 20 30 FCEDLP C=CC[N@H+](CCOC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000191110789 488419165 /nfs/dbraw/zinc/41/91/65/488419165.db2.gz LLRRUZFWFJRBTB-UHFFFAOYSA-N 2 2 373.461 0.146 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153942748 488737146 /nfs/dbraw/zinc/73/71/46/488737146.db2.gz YCTGJOWHSJAVBW-BBWFWOEESA-N 2 2 365.522 0.877 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153942748 488737148 /nfs/dbraw/zinc/73/71/48/488737148.db2.gz YCTGJOWHSJAVBW-BBWFWOEESA-N 2 2 365.522 0.877 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000364760198 488998502 /nfs/dbraw/zinc/99/85/02/488998502.db2.gz VJQRAQGRXYYENJ-INIZCTEOSA-N 2 2 355.442 0.781 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000364760198 488998504 /nfs/dbraw/zinc/99/85/04/488998504.db2.gz VJQRAQGRXYYENJ-INIZCTEOSA-N 2 2 355.442 0.781 20 30 FCEDLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329426385 489003626 /nfs/dbraw/zinc/00/36/26/489003626.db2.gz GNPJQBSAWGHDST-FGTMMUONSA-N 2 2 367.538 0.721 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C3CCOCC3)CC2)CC1 ZINC000329474323 489007791 /nfs/dbraw/zinc/00/77/91/489007791.db2.gz STBADIPRWJPBJE-GOSISDBHSA-N 2 2 368.522 0.836 20 30 FCEDLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)N1CC[NH+](C)CC1 ZINC000329974895 489056837 /nfs/dbraw/zinc/05/68/37/489056837.db2.gz DJIYPWBHGKXKKH-PMPSAXMXSA-N 2 2 366.485 0.925 20 30 FCEDLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000330097321 489069187 /nfs/dbraw/zinc/06/91/87/489069187.db2.gz AQNJODRNQNIZDR-HNNXBMFYSA-N 2 2 374.489 0.898 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000330118039 489070821 /nfs/dbraw/zinc/07/08/21/489070821.db2.gz XXJWQCNZZKCCKP-INIZCTEOSA-N 2 2 351.495 0.623 20 30 FCEDLP CC(C)N1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000330227419 489082033 /nfs/dbraw/zinc/08/20/33/489082033.db2.gz CAAJXUYKCRNJMI-HNNXBMFYSA-N 2 2 353.511 0.868 20 30 FCEDLP CC(C)N1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000330227419 489082037 /nfs/dbraw/zinc/08/20/37/489082037.db2.gz CAAJXUYKCRNJMI-HNNXBMFYSA-N 2 2 353.511 0.868 20 30 FCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367887934 489213018 /nfs/dbraw/zinc/21/30/18/489213018.db2.gz WVPIZSXCQYISDS-QGZVFWFLSA-N 2 2 351.491 0.735 20 30 FCEDLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000297937844 489265376 /nfs/dbraw/zinc/26/53/76/489265376.db2.gz VFRZGXUFWMBIHD-UHFFFAOYSA-N 2 2 369.469 0.367 20 30 FCEDLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000297937844 489265379 /nfs/dbraw/zinc/26/53/79/489265379.db2.gz VFRZGXUFWMBIHD-UHFFFAOYSA-N 2 2 369.469 0.367 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000283921028 489299332 /nfs/dbraw/zinc/29/93/32/489299332.db2.gz GOSFNKGLXHFCBJ-IRXDYDNUSA-N 2 2 366.506 0.248 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000283921028 489299335 /nfs/dbraw/zinc/29/93/35/489299335.db2.gz GOSFNKGLXHFCBJ-IRXDYDNUSA-N 2 2 366.506 0.248 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000299011747 489394623 /nfs/dbraw/zinc/39/46/23/489394623.db2.gz CZGAFAHXMFDMBX-INIZCTEOSA-N 2 2 356.474 0.628 20 30 FCEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000371569823 489488708 /nfs/dbraw/zinc/48/87/08/489488708.db2.gz MJMHPMSGJCJMEL-UHFFFAOYSA-N 2 2 358.442 0.656 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426386617 489564969 /nfs/dbraw/zinc/56/49/69/489564969.db2.gz YDPSXDUSAAFTEW-UHFFFAOYSA-N 2 2 351.495 0.618 20 30 FCEDLP N#Cc1ccc([C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000431125544 489789977 /nfs/dbraw/zinc/78/99/77/489789977.db2.gz JTFWDSWKQZCTLF-SFHVURJKSA-N 2 2 357.458 0.666 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)cc1 ZINC000571659749 491321710 /nfs/dbraw/zinc/32/17/10/491321710.db2.gz HKQFHNVTDQCRNZ-UHFFFAOYSA-N 2 2 369.469 0.318 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000577715859 491644731 /nfs/dbraw/zinc/64/47/31/491644731.db2.gz BSPFVFMHZRTKFS-UHFFFAOYSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586813080 491733365 /nfs/dbraw/zinc/73/33/65/491733365.db2.gz CQNKLJNUDXUYAF-AWEZNQCLSA-N 2 2 354.520 0.307 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586813080 491733366 /nfs/dbraw/zinc/73/33/66/491733366.db2.gz CQNKLJNUDXUYAF-AWEZNQCLSA-N 2 2 354.520 0.307 20 30 FCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609550814 492213446 /nfs/dbraw/zinc/21/34/46/492213446.db2.gz ZVWNYROMHPZEAZ-LJQANCHMSA-N 2 2 370.501 0.631 20 30 FCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609550814 492213449 /nfs/dbraw/zinc/21/34/49/492213449.db2.gz ZVWNYROMHPZEAZ-LJQANCHMSA-N 2 2 370.501 0.631 20 30 FCEDLP N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429281 492288079 /nfs/dbraw/zinc/28/80/79/492288079.db2.gz YONKBLWBPSAKCI-XHSDSOJGSA-N 2 2 359.499 0.608 20 30 FCEDLP N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429281 492288081 /nfs/dbraw/zinc/28/80/81/492288081.db2.gz YONKBLWBPSAKCI-XHSDSOJGSA-N 2 2 359.499 0.608 20 30 FCEDLP C[C@@H](CC(=O)NCC#CCNC(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000651698953 492808625 /nfs/dbraw/zinc/80/86/25/492808625.db2.gz BROKHJNMZGHMDR-HOTGVXAUSA-N 2 2 356.430 0.918 20 30 FCEDLP C[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C[N@@H+]1C1CC1 ZINC000262417151 533898665 /nfs/dbraw/zinc/89/86/65/533898665.db2.gz QJPFVMUBMRXUMB-IPYPFGDCSA-N 2 2 354.520 0.744 20 30 FCEDLP C[C@@H]1C[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C[N@H+]1C1CC1 ZINC000262417151 533898675 /nfs/dbraw/zinc/89/86/75/533898675.db2.gz QJPFVMUBMRXUMB-IPYPFGDCSA-N 2 2 354.520 0.744 20 30 FCEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCO[C@@H](COC)C1 ZINC000261952979 526349169 /nfs/dbraw/zinc/34/91/69/526349169.db2.gz OENWNKFUYAQVPE-OWCLPIDISA-N 2 2 356.511 0.797 20 30 FCEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCO[C@@H](COC)C1 ZINC000261952979 526349173 /nfs/dbraw/zinc/34/91/73/526349173.db2.gz OENWNKFUYAQVPE-OWCLPIDISA-N 2 2 356.511 0.797 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264995874 526357830 /nfs/dbraw/zinc/35/78/30/526357830.db2.gz SORRRHWETRONNK-GOSISDBHSA-N 2 2 363.506 0.795 20 30 FCEDLP C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179226792 526361989 /nfs/dbraw/zinc/36/19/89/526361989.db2.gz BPGNFPBZJZCUGL-HUUCEWRRSA-N 2 2 370.523 0.669 20 30 FCEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178906533 527130112 /nfs/dbraw/zinc/13/01/12/527130112.db2.gz YRCPKBWMQZEFNQ-SFHVURJKSA-N 2 2 357.454 0.721 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262356333 527386030 /nfs/dbraw/zinc/38/60/30/527386030.db2.gz GAANZPQCRXPWFY-QLFBSQMISA-N 2 2 356.536 0.990 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262356333 527386039 /nfs/dbraw/zinc/38/60/39/527386039.db2.gz GAANZPQCRXPWFY-QLFBSQMISA-N 2 2 356.536 0.990 20 30 FCEDLP CCN(CC)C(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267445324 527982673 /nfs/dbraw/zinc/98/26/73/527982673.db2.gz PWHNQMHGOONTKY-UHFFFAOYSA-N 2 2 367.519 0.779 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977307 528811023 /nfs/dbraw/zinc/81/10/23/528811023.db2.gz NXXCGJRZXSBBFO-RCCFBDPRSA-N 3 2 361.538 0.977 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977307 528811025 /nfs/dbraw/zinc/81/10/25/528811025.db2.gz NXXCGJRZXSBBFO-RCCFBDPRSA-N 3 2 361.538 0.977 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000329701979 546561192 /nfs/dbraw/zinc/56/11/92/546561192.db2.gz HQQDBEYQEJVEEY-OWCLPIDISA-N 2 2 352.479 0.606 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000329701979 546561198 /nfs/dbraw/zinc/56/11/98/546561198.db2.gz HQQDBEYQEJVEEY-OWCLPIDISA-N 2 2 352.479 0.606 20 30 FCEDLP C[NH+]1CCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000591739267 546939083 /nfs/dbraw/zinc/93/90/83/546939083.db2.gz FSRBXRFGBODANR-UHFFFAOYSA-N 2 2 365.503 0.343 20 30 FCEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330313552 568231986 /nfs/dbraw/zinc/23/19/86/568231986.db2.gz XGLSCMNNNUUTJA-CQSZACIVSA-N 2 2 362.434 0.220 20 30 FCEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501912 664418714 /nfs/dbraw/zinc/41/87/14/664418714.db2.gz JIZWHYGAEZDHAN-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501912 664418715 /nfs/dbraw/zinc/41/87/15/664418715.db2.gz JIZWHYGAEZDHAN-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCSCC3)=[NH+]C[C@H]2C1 ZINC000849086941 671317117 /nfs/dbraw/zinc/31/71/17/671317117.db2.gz IMUHVJHSZDPTSX-AWEZNQCLSA-N 2 2 369.535 0.916 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001087219740 1171967228 /nfs/dbraw/zinc/96/72/28/1171967228.db2.gz MOGYHFRNMCXKQY-HYVNUMGLSA-N 2 2 359.474 0.956 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)[C@@H]1C ZINC001088631036 1192729072 /nfs/dbraw/zinc/72/90/72/1192729072.db2.gz OGCYCDHZOYRABU-JLSDUUJJSA-N 2 2 358.490 0.572 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2nc(C)nc2C)[C@@H]1C ZINC001088631036 1192729076 /nfs/dbraw/zinc/72/90/76/1192729076.db2.gz OGCYCDHZOYRABU-JLSDUUJJSA-N 2 2 358.490 0.572 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)nc2C)[C@@H]1C ZINC001088631036 1192729081 /nfs/dbraw/zinc/72/90/81/1192729081.db2.gz OGCYCDHZOYRABU-JLSDUUJJSA-N 2 2 358.490 0.572 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)nc2C)[C@@H]1C ZINC001088631036 1192729088 /nfs/dbraw/zinc/72/90/88/1192729088.db2.gz OGCYCDHZOYRABU-JLSDUUJJSA-N 2 2 358.490 0.572 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468571 1179071693 /nfs/dbraw/zinc/07/16/93/1179071693.db2.gz JDBLCWLWMSUDNR-IXDOHACOSA-N 2 2 359.474 0.485 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329284556 1179216856 /nfs/dbraw/zinc/21/68/56/1179216856.db2.gz GCQVXODGVPLHFH-CYBMUJFWSA-N 2 2 370.461 0.636 20 30 FCEDLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329284556 1179216867 /nfs/dbraw/zinc/21/68/67/1179216867.db2.gz GCQVXODGVPLHFH-CYBMUJFWSA-N 2 2 370.461 0.636 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC000972999657 1181877517 /nfs/dbraw/zinc/87/75/17/1181877517.db2.gz HPTXEJXBFCRUDD-QZTJIDSGSA-N 2 2 369.469 0.288 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908682 1182991380 /nfs/dbraw/zinc/99/13/80/1182991380.db2.gz HEGJPOOZAFMPHH-OWCLPIDISA-N 2 2 361.490 0.728 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097703 1183118216 /nfs/dbraw/zinc/11/82/16/1183118216.db2.gz XADWQEHJAUTAAJ-IAGOWNOFSA-N 2 2 359.474 0.487 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC000975424155 1183865983 /nfs/dbraw/zinc/86/59/83/1183865983.db2.gz QZGNXRAHOGOVIZ-SJLPKXTDSA-N 2 2 369.469 0.357 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075744210 1188061101 /nfs/dbraw/zinc/06/11/01/1188061101.db2.gz FRVUZWKJOHQLGB-ARFHVFGLSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075744210 1188061104 /nfs/dbraw/zinc/06/11/04/1188061104.db2.gz FRVUZWKJOHQLGB-ARFHVFGLSA-N 2 2 357.458 0.662 20 30 FCEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001088351696 1190772498 /nfs/dbraw/zinc/77/24/98/1190772498.db2.gz JCEXEHHPQQNBGN-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986340187 1190959797 /nfs/dbraw/zinc/95/97/97/1190959797.db2.gz URODAGXLRQYGJZ-SQNIBIBYSA-N 2 2 369.469 0.288 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986340187 1190959801 /nfs/dbraw/zinc/95/98/01/1190959801.db2.gz URODAGXLRQYGJZ-SQNIBIBYSA-N 2 2 369.469 0.288 20 30 FCEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001276763998 1224131263 /nfs/dbraw/zinc/13/12/63/1224131263.db2.gz SUHYWVOELUAVSD-LJQANCHMSA-N 2 2 361.490 0.521 20 30 FCEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001276763998 1224131264 /nfs/dbraw/zinc/13/12/64/1224131264.db2.gz SUHYWVOELUAVSD-LJQANCHMSA-N 2 2 361.490 0.521 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1)C(=O)ON1C(=O)CCC1=O ZINC001217966046 1224133756 /nfs/dbraw/zinc/13/37/56/1224133756.db2.gz WJZDPXKBGVWENQ-CABCVRRESA-N 2 2 361.398 0.294 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218112149 1224141457 /nfs/dbraw/zinc/14/14/57/1224141457.db2.gz MXIXTALOWZBWJE-LUYZLQTOSA-N 2 2 373.409 0.293 20 30 FCEDLP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167541 1193731229 /nfs/dbraw/zinc/73/12/29/1193731229.db2.gz SKMNYRQRZCUUCD-KRWDZBQOSA-N 3 2 371.533 0.735 20 30 FCEDLP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167541 1193731235 /nfs/dbraw/zinc/73/12/35/1193731235.db2.gz SKMNYRQRZCUUCD-KRWDZBQOSA-N 3 2 371.533 0.735 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001691612556 1193801155 /nfs/dbraw/zinc/80/11/55/1193801155.db2.gz IDTJROGYRRAQGT-GVDBMIGSSA-N 2 2 359.474 0.935 20 30 FCEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105666427 1193891317 /nfs/dbraw/zinc/89/13/17/1193891317.db2.gz FNDXLOCMPMOPLC-IZBJGVDFSA-N 2 2 358.486 0.952 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474383 1193907117 /nfs/dbraw/zinc/90/71/17/1193907117.db2.gz DIGZOGJSNMNNRV-NMLBUPMWSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474383 1193907123 /nfs/dbraw/zinc/90/71/23/1193907123.db2.gz DIGZOGJSNMNNRV-NMLBUPMWSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083474383 1193907129 /nfs/dbraw/zinc/90/71/29/1193907129.db2.gz DIGZOGJSNMNNRV-NMLBUPMWSA-N 2 2 355.482 0.930 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083474383 1193907139 /nfs/dbraw/zinc/90/71/39/1193907139.db2.gz DIGZOGJSNMNNRV-NMLBUPMWSA-N 2 2 355.482 0.930 20 30 FCEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668992 1224193955 /nfs/dbraw/zinc/19/39/55/1224193955.db2.gz LQONGLBSRCOHMJ-SFHVURJKSA-N 2 2 368.441 0.595 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077989 1194290789 /nfs/dbraw/zinc/29/07/89/1194290789.db2.gz JJVZELBKOFPJPS-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077989 1194290795 /nfs/dbraw/zinc/29/07/95/1194290795.db2.gz JJVZELBKOFPJPS-MANSERQUSA-N 2 2 361.486 0.422 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076078045 1194291258 /nfs/dbraw/zinc/29/12/58/1194291258.db2.gz LXEAVIDXGAUATC-YESZJQIVSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076078045 1194291261 /nfs/dbraw/zinc/29/12/61/1194291261.db2.gz LXEAVIDXGAUATC-YESZJQIVSA-N 2 2 371.485 0.672 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007633 1195142263 /nfs/dbraw/zinc/14/22/63/1195142263.db2.gz WCRDZFARJBQHPN-VAMGGRTRSA-N 2 2 371.456 0.680 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007633 1195142272 /nfs/dbraw/zinc/14/22/72/1195142272.db2.gz WCRDZFARJBQHPN-VAMGGRTRSA-N 2 2 371.456 0.680 20 30 FCEDLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C3)ccn12 ZINC001106131032 1197099027 /nfs/dbraw/zinc/09/90/27/1197099027.db2.gz KBUZZHHFQVLYFL-CZUORRHYSA-N 2 2 368.441 0.580 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC001272520667 1197248325 /nfs/dbraw/zinc/24/83/25/1197248325.db2.gz JEEOIULTMOSRGY-BZUAXINKSA-N 2 2 371.416 0.801 20 30 FCEDLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)c[nH+]1 ZINC001106307658 1197853365 /nfs/dbraw/zinc/85/33/65/1197853365.db2.gz NUPOBZBMKMMGDL-UKRRQHHQSA-N 2 2 360.462 0.251 20 30 FCEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106317831 1197864085 /nfs/dbraw/zinc/86/40/85/1197864085.db2.gz VZPSDUOZQOGUOI-TZMCWYRMSA-N 2 2 354.414 0.500 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470476 1200313157 /nfs/dbraw/zinc/31/31/57/1200313157.db2.gz YDDJQXRPYPQUSM-SQNIBIBYSA-N 2 2 369.469 0.379 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470476 1200313164 /nfs/dbraw/zinc/31/31/64/1200313164.db2.gz YDDJQXRPYPQUSM-SQNIBIBYSA-N 2 2 369.469 0.379 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489367 1200331525 /nfs/dbraw/zinc/33/15/25/1200331525.db2.gz TYKREOHVKVMBJH-PVAVHDDUSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489367 1200331534 /nfs/dbraw/zinc/33/15/34/1200331534.db2.gz TYKREOHVKVMBJH-PVAVHDDUSA-N 2 2 351.410 0.419 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646282 1200438133 /nfs/dbraw/zinc/43/81/33/1200438133.db2.gz PWOJXKGABNZGMG-ORQFMDKSSA-N 2 2 372.469 0.814 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646282 1200438147 /nfs/dbraw/zinc/43/81/47/1200438147.db2.gz PWOJXKGABNZGMG-ORQFMDKSSA-N 2 2 372.469 0.814 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822519 1200545387 /nfs/dbraw/zinc/54/53/87/1200545387.db2.gz SJDWLNANGBGTNZ-IKGGRYGDSA-N 2 2 374.489 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822519 1200545393 /nfs/dbraw/zinc/54/53/93/1200545393.db2.gz SJDWLNANGBGTNZ-IKGGRYGDSA-N 2 2 374.489 0.082 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CC1 ZINC001219803795 1224622861 /nfs/dbraw/zinc/62/28/61/1224622861.db2.gz GBICUDQYVIBLAW-SQNIBIBYSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CC1 ZINC001219803795 1224622866 /nfs/dbraw/zinc/62/28/66/1224622866.db2.gz GBICUDQYVIBLAW-SQNIBIBYSA-N 2 2 360.433 0.699 20 30 FCEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219812062 1224628011 /nfs/dbraw/zinc/62/80/11/1224628011.db2.gz KAZVCAQCUZMEMJ-MOPGFXCFSA-N 2 2 359.445 0.823 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219812062 1224628015 /nfs/dbraw/zinc/62/80/15/1224628015.db2.gz KAZVCAQCUZMEMJ-MOPGFXCFSA-N 2 2 359.445 0.823 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219812062 1224628023 /nfs/dbraw/zinc/62/80/23/1224628023.db2.gz KAZVCAQCUZMEMJ-MOPGFXCFSA-N 2 2 359.445 0.823 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219812062 1224628028 /nfs/dbraw/zinc/62/80/28/1224628028.db2.gz KAZVCAQCUZMEMJ-MOPGFXCFSA-N 2 2 359.445 0.823 20 30 FCEDLP C#CCNC(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790373165 1201074995 /nfs/dbraw/zinc/07/49/95/1201074995.db2.gz VPQLPCRALLABLL-LJQANCHMSA-N 2 2 360.458 0.322 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000793991899 1201280753 /nfs/dbraw/zinc/28/07/53/1201280753.db2.gz DHJSJAMFVLEKLL-OALUTQOASA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000793991899 1201280757 /nfs/dbraw/zinc/28/07/57/1201280757.db2.gz DHJSJAMFVLEKLL-OALUTQOASA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000793991899 1201280760 /nfs/dbraw/zinc/28/07/60/1201280760.db2.gz DHJSJAMFVLEKLL-OALUTQOASA-N 2 2 370.497 0.241 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000793991899 1201280762 /nfs/dbraw/zinc/28/07/62/1201280762.db2.gz DHJSJAMFVLEKLL-OALUTQOASA-N 2 2 370.497 0.241 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000672 1201467702 /nfs/dbraw/zinc/46/77/02/1201467702.db2.gz JFUYIPJNMSKUNO-BMFZPTHFSA-N 2 2 353.430 0.486 20 30 FCEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130085961 1201494296 /nfs/dbraw/zinc/49/42/96/1201494296.db2.gz FXIPEDNBAKFKSQ-OIISXLGYSA-N 2 2 357.462 0.951 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809209 1202802112 /nfs/dbraw/zinc/80/21/12/1202802112.db2.gz MJWDJSTUXPNDCL-SOUVJXGZSA-N 2 2 360.462 0.206 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809209 1202802114 /nfs/dbraw/zinc/80/21/14/1202802114.db2.gz MJWDJSTUXPNDCL-SOUVJXGZSA-N 2 2 360.462 0.206 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809208 1202802379 /nfs/dbraw/zinc/80/23/79/1202802379.db2.gz MJWDJSTUXPNDCL-QLFBSQMISA-N 2 2 360.462 0.206 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809208 1202802380 /nfs/dbraw/zinc/80/23/80/1202802380.db2.gz MJWDJSTUXPNDCL-QLFBSQMISA-N 2 2 360.462 0.206 20 30 FCEDLP CN(C(=O)CC(C)(C)C#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638769 1203239223 /nfs/dbraw/zinc/23/92/23/1203239223.db2.gz LPMHZCMDWFNPKJ-UHFFFAOYSA-N 2 2 363.506 0.623 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001220297126 1224823407 /nfs/dbraw/zinc/82/34/07/1224823407.db2.gz MASPOQAGHNRKRX-FGTMMUONSA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001220297126 1224823409 /nfs/dbraw/zinc/82/34/09/1224823409.db2.gz MASPOQAGHNRKRX-FGTMMUONSA-N 2 2 362.449 0.945 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115296 1204637647 /nfs/dbraw/zinc/63/76/47/1204637647.db2.gz RVXOEPVWHKQPBP-IKGGRYGDSA-N 2 2 361.490 0.614 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115296 1204637657 /nfs/dbraw/zinc/63/76/57/1204637657.db2.gz RVXOEPVWHKQPBP-IKGGRYGDSA-N 2 2 361.490 0.614 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984777 1204879430 /nfs/dbraw/zinc/87/94/30/1204879430.db2.gz DDPKJHNUTVKBSY-FHLIZLRMSA-N 2 2 352.442 0.396 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985195 1204879984 /nfs/dbraw/zinc/87/99/84/1204879984.db2.gz YANSJLQDMFJNKH-HYVNUMGLSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C ZINC001092689628 1205348008 /nfs/dbraw/zinc/34/80/08/1205348008.db2.gz OXPSBPVJLWCLKL-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@H]1C ZINC001092689628 1205348010 /nfs/dbraw/zinc/34/80/10/1205348010.db2.gz OXPSBPVJLWCLKL-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnnn2CC)C[C@H]1C ZINC001092689628 1205348013 /nfs/dbraw/zinc/34/80/13/1205348013.db2.gz OXPSBPVJLWCLKL-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnnn2CC)C[C@H]1C ZINC001092689628 1205348014 /nfs/dbraw/zinc/34/80/14/1205348014.db2.gz OXPSBPVJLWCLKL-NUJGCVRESA-N 2 2 358.490 0.580 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001093287333 1206073079 /nfs/dbraw/zinc/07/30/79/1206073079.db2.gz KYRRHAHMMPMRGL-INMHGKMJSA-N 2 2 359.474 0.813 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158658 1206234876 /nfs/dbraw/zinc/23/48/76/1206234876.db2.gz RYFIDCTWWQBDKE-LXZJYRNTSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158658 1206234880 /nfs/dbraw/zinc/23/48/80/1206234880.db2.gz RYFIDCTWWQBDKE-LXZJYRNTSA-N 2 2 374.529 0.968 20 30 FCEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783383 1206246915 /nfs/dbraw/zinc/24/69/15/1206246915.db2.gz PQBFAMZRUHFUOG-FVQBIDKESA-N 2 2 357.458 0.501 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386230 1206509439 /nfs/dbraw/zinc/50/94/39/1206509439.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386230 1206509441 /nfs/dbraw/zinc/50/94/41/1206509441.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386230 1206509442 /nfs/dbraw/zinc/50/94/42/1206509442.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386230 1206509444 /nfs/dbraw/zinc/50/94/44/1206509444.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 2 361.490 0.564 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568272 1207463910 /nfs/dbraw/zinc/46/39/10/1207463910.db2.gz ISYPITHYIHVJSM-QFBILLFUSA-N 2 2 356.470 0.944 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568272 1207463915 /nfs/dbraw/zinc/46/39/15/1207463915.db2.gz ISYPITHYIHVJSM-QFBILLFUSA-N 2 2 356.470 0.944 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188978977 1207496325 /nfs/dbraw/zinc/49/63/25/1207496325.db2.gz IMDJHENDXAVZTH-LZLYRXPVSA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188978977 1207496327 /nfs/dbraw/zinc/49/63/27/1207496327.db2.gz IMDJHENDXAVZTH-LZLYRXPVSA-N 2 2 371.485 0.589 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433891 1207549724 /nfs/dbraw/zinc/54/97/24/1207549724.db2.gz YYPJVUGTXBDUIX-BPQIPLTHSA-N 2 2 371.485 0.642 20 30 FCEDLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747097 1225051428 /nfs/dbraw/zinc/05/14/28/1225051428.db2.gz YKYKLADYEWEXMS-QYZOEREBSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747097 1225051432 /nfs/dbraw/zinc/05/14/32/1225051432.db2.gz YKYKLADYEWEXMS-QYZOEREBSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747097 1225051443 /nfs/dbraw/zinc/05/14/43/1225051443.db2.gz YKYKLADYEWEXMS-QYZOEREBSA-N 2 2 359.470 0.491 20 30 FCEDLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)c1ccccc1 ZINC001220747097 1225051452 /nfs/dbraw/zinc/05/14/52/1225051452.db2.gz YKYKLADYEWEXMS-QYZOEREBSA-N 2 2 359.470 0.491 20 30 FCEDLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220768910 1225063274 /nfs/dbraw/zinc/06/32/74/1225063274.db2.gz DTZPIWGBVRBRFE-HOTGVXAUSA-N 2 2 355.398 0.062 20 30 FCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201437353 1208457118 /nfs/dbraw/zinc/45/71/18/1208457118.db2.gz CTCXSIPIXYZOIB-BRWVUGGUSA-N 2 2 360.458 0.381 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220915186 1225138202 /nfs/dbraw/zinc/13/82/02/1225138202.db2.gz QSEGLMNCQVBDNL-KRWDZBQOSA-N 2 2 366.425 0.572 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660568 1209583539 /nfs/dbraw/zinc/58/35/39/1209583539.db2.gz FSSOCQOVYVGXBT-TVFCKZIOSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660568 1209583541 /nfs/dbraw/zinc/58/35/41/1209583541.db2.gz FSSOCQOVYVGXBT-TVFCKZIOSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660568 1209583544 /nfs/dbraw/zinc/58/35/44/1209583544.db2.gz FSSOCQOVYVGXBT-TVFCKZIOSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660568 1209583548 /nfs/dbraw/zinc/58/35/48/1209583548.db2.gz FSSOCQOVYVGXBT-TVFCKZIOSA-N 2 2 360.502 0.720 20 30 FCEDLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000931872580 1211775495 /nfs/dbraw/zinc/77/54/95/1211775495.db2.gz OKGMSNKONARZEX-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000931872580 1211775497 /nfs/dbraw/zinc/77/54/97/1211775497.db2.gz OKGMSNKONARZEX-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000931872580 1211775498 /nfs/dbraw/zinc/77/54/98/1211775498.db2.gz OKGMSNKONARZEX-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000931872580 1211775502 /nfs/dbraw/zinc/77/55/02/1211775502.db2.gz OKGMSNKONARZEX-GOSISDBHSA-N 2 2 369.469 0.413 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817336 1225490955 /nfs/dbraw/zinc/49/09/55/1225490955.db2.gz QFCXBVLOMLRXMB-GVDBMIGSSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817336 1225490958 /nfs/dbraw/zinc/49/09/58/1225490958.db2.gz QFCXBVLOMLRXMB-GVDBMIGSSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817336 1225490962 /nfs/dbraw/zinc/49/09/62/1225490962.db2.gz QFCXBVLOMLRXMB-GVDBMIGSSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221817336 1225490965 /nfs/dbraw/zinc/49/09/65/1225490965.db2.gz QFCXBVLOMLRXMB-GVDBMIGSSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889778 1225524039 /nfs/dbraw/zinc/52/40/39/1225524039.db2.gz PSLIEFFODLKVQI-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889778 1225524044 /nfs/dbraw/zinc/52/40/44/1225524044.db2.gz PSLIEFFODLKVQI-KZNAEPCWSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042766 1225587218 /nfs/dbraw/zinc/58/72/18/1225587218.db2.gz KERSEBUABJQNPX-RTBURBONSA-N 2 2 368.481 0.644 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042766 1225587224 /nfs/dbraw/zinc/58/72/24/1225587224.db2.gz KERSEBUABJQNPX-RTBURBONSA-N 2 2 368.481 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)C)C[C@H]32)CC1 ZINC001222043833 1225587774 /nfs/dbraw/zinc/58/77/74/1225587774.db2.gz DUXBIVLJRFIMIK-QZTJIDSGSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)C)C[C@H]32)CC1 ZINC001222043833 1225587776 /nfs/dbraw/zinc/58/77/76/1225587776.db2.gz DUXBIVLJRFIMIK-QZTJIDSGSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045444 1225588203 /nfs/dbraw/zinc/58/82/03/1225588203.db2.gz KIRMXMWDMRMPPM-IEBWSBKVSA-N 2 2 368.481 0.644 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045444 1225588209 /nfs/dbraw/zinc/58/82/09/1225588209.db2.gz KIRMXMWDMRMPPM-IEBWSBKVSA-N 2 2 368.481 0.644 20 30 FCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583598 1216574826 /nfs/dbraw/zinc/57/48/26/1216574826.db2.gz IFKZAXZEONJMCI-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052583598 1216574831 /nfs/dbraw/zinc/57/48/31/1216574831.db2.gz IFKZAXZEONJMCI-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927243 1216848931 /nfs/dbraw/zinc/84/89/31/1216848931.db2.gz QTWGYORNUTWXFC-SJORKVTESA-N 2 2 358.490 0.907 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927243 1216848934 /nfs/dbraw/zinc/84/89/34/1216848934.db2.gz QTWGYORNUTWXFC-SJORKVTESA-N 2 2 358.490 0.907 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](n2ccnn2)C1 ZINC001069957180 1216866637 /nfs/dbraw/zinc/86/66/37/1216866637.db2.gz STEZZRHKIPPGCW-CVEARBPZSA-N 2 2 355.446 0.583 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](n2ccnn2)C1 ZINC001069957180 1216866638 /nfs/dbraw/zinc/86/66/38/1216866638.db2.gz STEZZRHKIPPGCW-CVEARBPZSA-N 2 2 355.446 0.583 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965816 1216872181 /nfs/dbraw/zinc/87/21/81/1216872181.db2.gz HVXUIBSDPXKLLW-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965816 1216872183 /nfs/dbraw/zinc/87/21/83/1216872183.db2.gz HVXUIBSDPXKLLW-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965816 1216872185 /nfs/dbraw/zinc/87/21/85/1216872185.db2.gz HVXUIBSDPXKLLW-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965816 1216872188 /nfs/dbraw/zinc/87/21/88/1216872188.db2.gz HVXUIBSDPXKLLW-SQNIBIBYSA-N 2 2 358.490 0.763 20 30 FCEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498309 1217344172 /nfs/dbraw/zinc/34/41/72/1217344172.db2.gz NCOIJWYCWKYLRZ-HBFSDRIKSA-N 2 2 363.502 0.977 20 30 FCEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498309 1217344178 /nfs/dbraw/zinc/34/41/78/1217344178.db2.gz NCOIJWYCWKYLRZ-HBFSDRIKSA-N 2 2 363.502 0.977 20 30 FCEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498669 1217345025 /nfs/dbraw/zinc/34/50/25/1217345025.db2.gz PWAJGABEIUBLJU-HBFSDRIKSA-N 2 2 361.486 0.424 20 30 FCEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498669 1217345030 /nfs/dbraw/zinc/34/50/30/1217345030.db2.gz PWAJGABEIUBLJU-HBFSDRIKSA-N 2 2 361.486 0.424 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223912451 1225745531 /nfs/dbraw/zinc/74/55/31/1225745531.db2.gz UZKMOUUAZCHVSJ-CABCVRRESA-N 2 2 359.474 0.912 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223912451 1225745533 /nfs/dbraw/zinc/74/55/33/1225745533.db2.gz UZKMOUUAZCHVSJ-CABCVRRESA-N 2 2 359.474 0.912 20 30 FCEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001045511355 1217935753 /nfs/dbraw/zinc/93/57/53/1217935753.db2.gz LTNKNVSCKUUNHM-MSOLQXFVSA-N 2 2 363.502 0.860 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@@H+]1C ZINC001096307917 1218233471 /nfs/dbraw/zinc/23/34/71/1218233471.db2.gz QMGQDPHSHVJWHL-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@H+]1C ZINC001096307917 1218233474 /nfs/dbraw/zinc/23/34/74/1218233474.db2.gz QMGQDPHSHVJWHL-ZWKOTPCHSA-N 2 2 370.501 0.922 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001111455148 1218846835 /nfs/dbraw/zinc/84/68/35/1218846835.db2.gz OHNWUHGIJAOSFA-KURKYZTESA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001111455148 1218846836 /nfs/dbraw/zinc/84/68/36/1218846836.db2.gz OHNWUHGIJAOSFA-KURKYZTESA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227165748 1225865401 /nfs/dbraw/zinc/86/54/01/1225865401.db2.gz QFVLZLVSIRSWNU-DJIMGWMZSA-N 2 2 357.458 0.212 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128616 1225864148 /nfs/dbraw/zinc/86/41/48/1225864148.db2.gz SVQICDQJJLMUEG-DJIMGWMZSA-N 2 2 359.474 0.765 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001070221985 1219303608 /nfs/dbraw/zinc/30/36/08/1219303608.db2.gz ASNVDYHKTRQJBR-XYPHTWIQSA-N 2 2 355.446 0.642 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070221985 1219303612 /nfs/dbraw/zinc/30/36/12/1219303612.db2.gz ASNVDYHKTRQJBR-XYPHTWIQSA-N 2 2 355.446 0.642 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cncn1C ZINC001070661757 1219512977 /nfs/dbraw/zinc/51/29/77/1219512977.db2.gz FBMSBCAYYDHJNV-GDBMZVCRSA-N 2 2 356.430 0.301 20 30 FCEDLP CC(C)[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)[NH+]1CCCC1 ZINC001070720644 1219542670 /nfs/dbraw/zinc/54/26/70/1219542670.db2.gz BNBPBVRGIXVTIC-NUJGCVRESA-N 2 2 358.490 0.948 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463461 1219881075 /nfs/dbraw/zinc/88/10/75/1219881075.db2.gz RYFIDCTWWQBDKE-XSYGEPLQSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463461 1219881078 /nfs/dbraw/zinc/88/10/78/1219881078.db2.gz RYFIDCTWWQBDKE-XSYGEPLQSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC=C)C[C@@]2(C)C1 ZINC001101270424 1220258713 /nfs/dbraw/zinc/25/87/13/1220258713.db2.gz MSNBJQFCAIBWDQ-UWVAXJGDSA-N 2 2 358.486 0.167 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC=C)C[C@@]2(C)C1 ZINC001101270424 1220258715 /nfs/dbraw/zinc/25/87/15/1220258715.db2.gz MSNBJQFCAIBWDQ-UWVAXJGDSA-N 2 2 358.486 0.167 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC=C)C[C@@]2(C)C1 ZINC001101270424 1220258721 /nfs/dbraw/zinc/25/87/21/1220258721.db2.gz MSNBJQFCAIBWDQ-UWVAXJGDSA-N 2 2 358.486 0.167 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC=C)C[C@@]2(C)C1 ZINC001101270424 1220258727 /nfs/dbraw/zinc/25/87/27/1220258727.db2.gz MSNBJQFCAIBWDQ-UWVAXJGDSA-N 2 2 358.486 0.167 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101283132 1220266985 /nfs/dbraw/zinc/26/69/85/1220266985.db2.gz UEFOZEBKCCEDPZ-QKLQHJQFSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101283132 1220266986 /nfs/dbraw/zinc/26/69/86/1220266986.db2.gz UEFOZEBKCCEDPZ-QKLQHJQFSA-N 2 2 356.470 0.876 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101361048 1220301332 /nfs/dbraw/zinc/30/13/32/1220301332.db2.gz VWIOPUJJCQXWAT-SXGZJXTBSA-N 2 2 371.485 0.912 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101361048 1220301335 /nfs/dbraw/zinc/30/13/35/1220301335.db2.gz VWIOPUJJCQXWAT-SXGZJXTBSA-N 2 2 371.485 0.912 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445849 1220348793 /nfs/dbraw/zinc/34/87/93/1220348793.db2.gz HUKWRQTXBQJEFH-CLCXKQKWSA-N 2 2 359.474 0.732 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445849 1220348797 /nfs/dbraw/zinc/34/87/97/1220348797.db2.gz HUKWRQTXBQJEFH-CLCXKQKWSA-N 2 2 359.474 0.732 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229261405 1225992795 /nfs/dbraw/zinc/99/27/95/1225992795.db2.gz CFGNGVJENAUGIG-FVQBIDKESA-N 2 2 359.474 0.795 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001103779317 1220971742 /nfs/dbraw/zinc/97/17/42/1220971742.db2.gz XDADXHQUALRFQL-ZACQAIPSSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001103779317 1220971745 /nfs/dbraw/zinc/97/17/45/1220971745.db2.gz XDADXHQUALRFQL-ZACQAIPSSA-N 2 2 359.474 0.744 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962789 1221187518 /nfs/dbraw/zinc/18/75/18/1221187518.db2.gz QLPVZWPFDUTLAB-KXBFYZLASA-N 2 2 357.458 0.073 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962789 1221187520 /nfs/dbraw/zinc/18/75/20/1221187520.db2.gz QLPVZWPFDUTLAB-KXBFYZLASA-N 2 2 357.458 0.073 20 30 FCEDLP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001156672117 1223060318 /nfs/dbraw/zinc/06/03/18/1223060318.db2.gz GVBJXZBMBMFTEA-QGZVFWFLSA-N 2 2 366.506 0.133 20 30 FCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160437541 1223160172 /nfs/dbraw/zinc/16/01/72/1223160172.db2.gz ZVJDMJHQZRAMCA-HOTGVXAUSA-N 2 2 366.506 0.450 20 30 FCEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205742095 1223337327 /nfs/dbraw/zinc/33/73/27/1223337327.db2.gz VPZTXQNJXCYAKG-MOPGFXCFSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973285 1223398825 /nfs/dbraw/zinc/39/88/25/1223398825.db2.gz AIQXGQASCUAXAP-BRWVUGGUSA-N 2 2 362.518 0.825 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973285 1223398830 /nfs/dbraw/zinc/39/88/30/1223398830.db2.gz AIQXGQASCUAXAP-BRWVUGGUSA-N 2 2 362.518 0.825 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790925 1223480122 /nfs/dbraw/zinc/48/01/22/1223480122.db2.gz ZZWRCDZVRWFNQV-CXAGYDPISA-N 2 2 355.442 0.995 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790925 1223480123 /nfs/dbraw/zinc/48/01/23/1223480123.db2.gz ZZWRCDZVRWFNQV-CXAGYDPISA-N 2 2 355.442 0.995 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208597882 1223562452 /nfs/dbraw/zinc/56/24/52/1223562452.db2.gz SYNQZZORCXFLBW-CLCXKQKWSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208597882 1223562456 /nfs/dbraw/zinc/56/24/56/1223562456.db2.gz SYNQZZORCXFLBW-CLCXKQKWSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208597882 1223562459 /nfs/dbraw/zinc/56/24/59/1223562459.db2.gz SYNQZZORCXFLBW-CLCXKQKWSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208597882 1223562467 /nfs/dbraw/zinc/56/24/67/1223562467.db2.gz SYNQZZORCXFLBW-CLCXKQKWSA-N 2 2 368.497 0.938 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1=O ZINC001211450348 1223743751 /nfs/dbraw/zinc/74/37/51/1223743751.db2.gz VHLVSZCBAODSRH-BRWVUGGUSA-N 2 2 359.474 0.887 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1=O ZINC001211450348 1223743756 /nfs/dbraw/zinc/74/37/56/1223743756.db2.gz VHLVSZCBAODSRH-BRWVUGGUSA-N 2 2 359.474 0.887 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127559 1223751935 /nfs/dbraw/zinc/75/19/35/1223751935.db2.gz VYQGKFNDPSYPIL-IAOVAPTHSA-N 2 2 371.441 0.454 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127559 1223751938 /nfs/dbraw/zinc/75/19/38/1223751938.db2.gz VYQGKFNDPSYPIL-IAOVAPTHSA-N 2 2 371.441 0.454 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335360 1223787007 /nfs/dbraw/zinc/78/70/07/1223787007.db2.gz BWYQBHFOEJRDNH-CGTJXYLNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335360 1223787009 /nfs/dbraw/zinc/78/70/09/1223787009.db2.gz BWYQBHFOEJRDNH-CGTJXYLNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213371093 1223790972 /nfs/dbraw/zinc/79/09/72/1223790972.db2.gz RXLUSNMNVWUQBR-GVDBMIGSSA-N 2 2 363.462 0.239 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213371093 1223790973 /nfs/dbraw/zinc/79/09/73/1223790973.db2.gz RXLUSNMNVWUQBR-GVDBMIGSSA-N 2 2 363.462 0.239 20 30 FCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213371093 1223790975 /nfs/dbraw/zinc/79/09/75/1223790975.db2.gz RXLUSNMNVWUQBR-GVDBMIGSSA-N 2 2 363.462 0.239 20 30 FCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213371093 1223790978 /nfs/dbraw/zinc/79/09/78/1223790978.db2.gz RXLUSNMNVWUQBR-GVDBMIGSSA-N 2 2 363.462 0.239 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441628 1223799349 /nfs/dbraw/zinc/79/93/49/1223799349.db2.gz BZMCHKMQCNIHNY-MDZRGWNJSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441628 1223799351 /nfs/dbraw/zinc/79/93/51/1223799351.db2.gz BZMCHKMQCNIHNY-MDZRGWNJSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441628 1223799352 /nfs/dbraw/zinc/79/93/52/1223799352.db2.gz BZMCHKMQCNIHNY-MDZRGWNJSA-N 2 2 369.481 0.664 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441628 1223799354 /nfs/dbraw/zinc/79/93/54/1223799354.db2.gz BZMCHKMQCNIHNY-MDZRGWNJSA-N 2 2 369.481 0.664 20 30 FCEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728896 1223839968 /nfs/dbraw/zinc/83/99/68/1223839968.db2.gz YQKHMDLUVNVAKT-RTBURBONSA-N 2 2 359.470 0.432 20 30 FCEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728896 1223839969 /nfs/dbraw/zinc/83/99/69/1223839969.db2.gz YQKHMDLUVNVAKT-RTBURBONSA-N 2 2 359.470 0.432 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769379 1223847379 /nfs/dbraw/zinc/84/73/79/1223847379.db2.gz SHARJCVKDIQKQI-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769379 1223847380 /nfs/dbraw/zinc/84/73/80/1223847380.db2.gz SHARJCVKDIQKQI-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769379 1223847382 /nfs/dbraw/zinc/84/73/82/1223847382.db2.gz SHARJCVKDIQKQI-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769379 1223847383 /nfs/dbraw/zinc/84/73/83/1223847383.db2.gz SHARJCVKDIQKQI-IAGOWNOFSA-N 2 2 366.506 0.344 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213932079 1223875650 /nfs/dbraw/zinc/87/56/50/1223875650.db2.gz UWSIZIDOSZNFCB-GUDVDZBRSA-N 2 2 359.470 0.755 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](OC)C1 ZINC001213932079 1223875653 /nfs/dbraw/zinc/87/56/53/1223875653.db2.gz UWSIZIDOSZNFCB-GUDVDZBRSA-N 2 2 359.470 0.755 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214388995 1223906901 /nfs/dbraw/zinc/90/69/01/1223906901.db2.gz OXGXLYVDWMTAIT-ATZDWAIDSA-N 2 2 359.445 0.944 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214388995 1223906904 /nfs/dbraw/zinc/90/69/04/1223906904.db2.gz OXGXLYVDWMTAIT-ATZDWAIDSA-N 2 2 359.445 0.944 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215134668 1223977012 /nfs/dbraw/zinc/97/70/12/1223977012.db2.gz YPZXQCASGXGFLG-QLFBSQMISA-N 2 2 353.426 0.522 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000891605923 1245456859 /nfs/dbraw/zinc/45/68/59/1245456859.db2.gz HZCKTBXWNHHFSR-GOSISDBHSA-N 2 2 356.470 0.943 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000891605923 1245456862 /nfs/dbraw/zinc/45/68/62/1245456862.db2.gz HZCKTBXWNHHFSR-GOSISDBHSA-N 2 2 356.470 0.943 20 30 FCEDLP C=C(C)COCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329685440 1265814012 /nfs/dbraw/zinc/81/40/12/1265814012.db2.gz FISQHJUQYQLWKW-KRWDZBQOSA-N 2 2 366.506 0.322 20 30 FCEDLP C=C(C)COCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329685440 1265814022 /nfs/dbraw/zinc/81/40/22/1265814022.db2.gz FISQHJUQYQLWKW-KRWDZBQOSA-N 2 2 366.506 0.322 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077571056 1254709584 /nfs/dbraw/zinc/70/95/84/1254709584.db2.gz HEURFPBYGZBOML-IJXRJRJASA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077571056 1254709608 /nfs/dbraw/zinc/70/96/08/1254709608.db2.gz HEURFPBYGZBOML-IJXRJRJASA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077571056 1254709623 /nfs/dbraw/zinc/70/96/23/1254709623.db2.gz HEURFPBYGZBOML-IJXRJRJASA-N 2 2 355.482 0.930 20 30 FCEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077571056 1254709636 /nfs/dbraw/zinc/70/96/36/1254709636.db2.gz HEURFPBYGZBOML-IJXRJRJASA-N 2 2 355.482 0.930 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077778347 1254978286 /nfs/dbraw/zinc/97/82/86/1254978286.db2.gz FDGLKCQQIRCIRT-WOJBJXKFSA-N 2 2 355.482 0.931 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077778347 1254978297 /nfs/dbraw/zinc/97/82/97/1254978297.db2.gz FDGLKCQQIRCIRT-WOJBJXKFSA-N 2 2 355.482 0.931 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2O)CC1 ZINC001078228573 1255343494 /nfs/dbraw/zinc/34/34/94/1255343494.db2.gz WDQALUYQUADFJH-QZTJIDSGSA-N 2 2 360.458 0.244 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2O)CC1 ZINC001078228573 1255343503 /nfs/dbraw/zinc/34/35/03/1255343503.db2.gz WDQALUYQUADFJH-QZTJIDSGSA-N 2 2 360.458 0.244 20 30 FCEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231250 1255479638 /nfs/dbraw/zinc/47/96/38/1255479638.db2.gz AFKWOJYLGHMZOJ-KSZLIROESA-N 2 2 361.486 0.280 20 30 FCEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231250 1255479642 /nfs/dbraw/zinc/47/96/42/1255479642.db2.gz AFKWOJYLGHMZOJ-KSZLIROESA-N 2 2 361.486 0.280 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1 ZINC001082568003 1256873271 /nfs/dbraw/zinc/87/32/71/1256873271.db2.gz RBCWPWJFRFAXLP-OLMNPRSZSA-N 2 2 370.501 0.956 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1 ZINC001082568003 1256873281 /nfs/dbraw/zinc/87/32/81/1256873281.db2.gz RBCWPWJFRFAXLP-OLMNPRSZSA-N 2 2 370.501 0.956 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001082568051 1256873406 /nfs/dbraw/zinc/87/34/06/1256873406.db2.gz UUIZEIXYAAYOOC-ZACQAIPSSA-N 2 2 358.490 0.893 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001082568051 1256873414 /nfs/dbraw/zinc/87/34/14/1256873414.db2.gz UUIZEIXYAAYOOC-ZACQAIPSSA-N 2 2 358.490 0.893 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953325 1257742854 /nfs/dbraw/zinc/74/28/54/1257742854.db2.gz OFERIKIKNGOXHO-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953325 1257742859 /nfs/dbraw/zinc/74/28/59/1257742859.db2.gz OFERIKIKNGOXHO-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953325 1257742863 /nfs/dbraw/zinc/74/28/63/1257742863.db2.gz OFERIKIKNGOXHO-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083953325 1257742866 /nfs/dbraw/zinc/74/28/66/1257742866.db2.gz OFERIKIKNGOXHO-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@@H]2O)CC1 ZINC001084089272 1257914254 /nfs/dbraw/zinc/91/42/54/1257914254.db2.gz ACPCGXSNKURGRH-MOPGFXCFSA-N 2 2 356.470 0.397 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@H]2O)CC1 ZINC001084089272 1257914258 /nfs/dbraw/zinc/91/42/58/1257914258.db2.gz ACPCGXSNKURGRH-MOPGFXCFSA-N 2 2 356.470 0.397 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001084961106 1258473063 /nfs/dbraw/zinc/47/30/63/1258473063.db2.gz LBYHBQVFZOOJBN-NJAFHUGGSA-N 2 2 358.486 0.285 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001084961106 1258473066 /nfs/dbraw/zinc/47/30/66/1258473066.db2.gz LBYHBQVFZOOJBN-NJAFHUGGSA-N 2 2 358.486 0.285 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001084961106 1258473068 /nfs/dbraw/zinc/47/30/68/1258473068.db2.gz LBYHBQVFZOOJBN-NJAFHUGGSA-N 2 2 358.486 0.285 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001084961106 1258473069 /nfs/dbraw/zinc/47/30/69/1258473069.db2.gz LBYHBQVFZOOJBN-NJAFHUGGSA-N 2 2 358.486 0.285 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655922 1258933548 /nfs/dbraw/zinc/93/35/48/1258933548.db2.gz ISJQZZFKRSIASO-KFWWJZLASA-N 2 2 359.474 0.816 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491517 1259102021 /nfs/dbraw/zinc/10/20/21/1259102021.db2.gz CZWJZTPTSBIVKF-CRAIPNDOSA-N 2 2 358.446 0.274 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491517 1259102031 /nfs/dbraw/zinc/10/20/31/1259102031.db2.gz CZWJZTPTSBIVKF-CRAIPNDOSA-N 2 2 358.446 0.274 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491922 1259102280 /nfs/dbraw/zinc/10/22/80/1259102280.db2.gz OXGSTJNFZTUAQZ-VQIMIIECSA-N 2 2 359.474 0.936 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491922 1259102284 /nfs/dbraw/zinc/10/22/84/1259102284.db2.gz OXGSTJNFZTUAQZ-VQIMIIECSA-N 2 2 359.474 0.936 20 30 FCEDLP C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001128111830 1259193604 /nfs/dbraw/zinc/19/36/04/1259193604.db2.gz FQIRCGRPCLPYHU-KBAYOESNSA-N 2 2 371.485 0.218 20 30 FCEDLP C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001128111830 1259193608 /nfs/dbraw/zinc/19/36/08/1259193608.db2.gz FQIRCGRPCLPYHU-KBAYOESNSA-N 2 2 371.485 0.218 20 30 FCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129228419 1259349579 /nfs/dbraw/zinc/34/95/79/1259349579.db2.gz RLBPHLQHQDCRCM-MOPGFXCFSA-N 2 2 366.469 0.623 20 30 FCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129228419 1259349583 /nfs/dbraw/zinc/34/95/83/1259349583.db2.gz RLBPHLQHQDCRCM-MOPGFXCFSA-N 2 2 366.469 0.623 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728851 1259420583 /nfs/dbraw/zinc/42/05/83/1259420583.db2.gz KTJFOROIYCFVBK-RBSFLKMASA-N 2 2 361.446 0.023 20 30 FCEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212301482 1259458724 /nfs/dbraw/zinc/45/87/24/1259458724.db2.gz WBRNYKVKYCTJMC-BRWVUGGUSA-N 2 2 362.474 0.862 20 30 FCEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212301482 1259458726 /nfs/dbraw/zinc/45/87/26/1259458726.db2.gz WBRNYKVKYCTJMC-BRWVUGGUSA-N 2 2 362.474 0.862 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406393 1259491781 /nfs/dbraw/zinc/49/17/81/1259491781.db2.gz QVVHNSHEGDGCOY-CEXWTWQISA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406393 1259491786 /nfs/dbraw/zinc/49/17/86/1259491786.db2.gz QVVHNSHEGDGCOY-CEXWTWQISA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406393 1259491789 /nfs/dbraw/zinc/49/17/89/1259491789.db2.gz QVVHNSHEGDGCOY-CEXWTWQISA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406393 1259491792 /nfs/dbraw/zinc/49/17/92/1259491792.db2.gz QVVHNSHEGDGCOY-CEXWTWQISA-N 2 2 363.502 0.859 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212486797 1259522313 /nfs/dbraw/zinc/52/23/13/1259522313.db2.gz DRZRUAUPZOXZEF-OWCLPIDISA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212486797 1259522318 /nfs/dbraw/zinc/52/23/18/1259522318.db2.gz DRZRUAUPZOXZEF-OWCLPIDISA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212486797 1259522324 /nfs/dbraw/zinc/52/23/24/1259522324.db2.gz DRZRUAUPZOXZEF-OWCLPIDISA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212486797 1259522326 /nfs/dbraw/zinc/52/23/26/1259522326.db2.gz DRZRUAUPZOXZEF-OWCLPIDISA-N 2 2 366.506 0.319 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]2C1 ZINC001232924187 1259543774 /nfs/dbraw/zinc/54/37/74/1259543774.db2.gz TXOUXOJKNKCXIU-CRAIPNDOSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)n3)CC[C@@H]2C1 ZINC001232924187 1259543777 /nfs/dbraw/zinc/54/37/77/1259543777.db2.gz TXOUXOJKNKCXIU-CRAIPNDOSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)n3)CC[C@@H]2C1 ZINC001232924187 1259543779 /nfs/dbraw/zinc/54/37/79/1259543779.db2.gz TXOUXOJKNKCXIU-CRAIPNDOSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)CC[C@@H]2C1 ZINC001232924187 1259543782 /nfs/dbraw/zinc/54/37/82/1259543782.db2.gz TXOUXOJKNKCXIU-CRAIPNDOSA-N 2 2 357.458 0.564 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C(C)=C/C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976717 1266270038 /nfs/dbraw/zinc/27/00/38/1266270038.db2.gz RNNCBGZYHUZWGW-VYFKROBPSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C(C)=C/C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976717 1266270048 /nfs/dbraw/zinc/27/00/48/1266270048.db2.gz RNNCBGZYHUZWGW-VYFKROBPSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(\C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001521976717 1266270054 /nfs/dbraw/zinc/27/00/54/1266270054.db2.gz RNNCBGZYHUZWGW-VYFKROBPSA-N 2 2 370.497 0.360 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)/C=C(\C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001521976717 1266270058 /nfs/dbraw/zinc/27/00/58/1266270058.db2.gz RNNCBGZYHUZWGW-VYFKROBPSA-N 2 2 370.497 0.360 20 30 FCEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001336785655 1260223241 /nfs/dbraw/zinc/22/32/41/1260223241.db2.gz QSINCLYQUYTMTD-QZTJIDSGSA-N 2 2 358.442 0.114 20 30 FCEDLP Cn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)CCO4)C3)C2)cc1C#N ZINC001273218278 1260627679 /nfs/dbraw/zinc/62/76/79/1260627679.db2.gz SEWVOZORLINUAW-QGZVFWFLSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)CCO4)C3)C2)cc1C#N ZINC001273218278 1260627689 /nfs/dbraw/zinc/62/76/89/1260627689.db2.gz SEWVOZORLINUAW-QGZVFWFLSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)CCO4)C3)C2)cc1C#N ZINC001273218278 1260627695 /nfs/dbraw/zinc/62/76/95/1260627695.db2.gz SEWVOZORLINUAW-QGZVFWFLSA-N 2 2 357.458 0.262 20 30 FCEDLP Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C3)C2)cc1C#N ZINC001273218278 1260627706 /nfs/dbraw/zinc/62/77/06/1260627706.db2.gz SEWVOZORLINUAW-QGZVFWFLSA-N 2 2 357.458 0.262 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC001345541745 1261734848 /nfs/dbraw/zinc/73/48/48/1261734848.db2.gz ZGYUVRSMFZVAFU-UHFFFAOYSA-N 2 2 361.490 0.471 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2cnn(CC)c2)CC1 ZINC001574707443 1271497910 /nfs/dbraw/zinc/49/79/10/1271497910.db2.gz SCYBWRLPVSSJKW-KRWDZBQOSA-N 2 2 368.489 0.723 20 30 FCEDLP CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001579350034 1277205586 /nfs/dbraw/zinc/20/55/86/1277205586.db2.gz WNNVYLOMRLPWMJ-ZDUSSCGKSA-N 2 2 368.449 0.133 20 30 FCEDLP CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001579350034 1277205590 /nfs/dbraw/zinc/20/55/90/1277205590.db2.gz WNNVYLOMRLPWMJ-ZDUSSCGKSA-N 2 2 368.449 0.133 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329701 837646921 /nfs/dbraw/zinc/64/69/21/837646921.db2.gz CSVNTUFPWKHWPY-ILXRZTDVSA-N 2 2 368.869 0.093 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329701 837646923 /nfs/dbraw/zinc/64/69/23/837646923.db2.gz CSVNTUFPWKHWPY-ILXRZTDVSA-N 2 2 368.869 0.093 20 30 FCEDLP C=CC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144015678 849506785 /nfs/dbraw/zinc/50/67/85/849506785.db2.gz ZBLLOVUQWXSNFE-MRXNPFEDSA-N 2 2 350.507 0.895 20 30 FCEDLP C=CC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144015678 849506792 /nfs/dbraw/zinc/50/67/92/849506792.db2.gz ZBLLOVUQWXSNFE-MRXNPFEDSA-N 2 2 350.507 0.895 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176725 852905977 /nfs/dbraw/zinc/90/59/77/852905977.db2.gz OYJFBHBOJWBXRV-RKVPGOIHSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176725 852905980 /nfs/dbraw/zinc/90/59/80/852905980.db2.gz OYJFBHBOJWBXRV-RKVPGOIHSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176725 852905983 /nfs/dbraw/zinc/90/59/83/852905983.db2.gz OYJFBHBOJWBXRV-RKVPGOIHSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176725 852905986 /nfs/dbraw/zinc/90/59/86/852905986.db2.gz OYJFBHBOJWBXRV-RKVPGOIHSA-N 2 2 355.454 0.010 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001219821277 855832138 /nfs/dbraw/zinc/83/21/38/855832138.db2.gz IZDVWSRACRTMTJ-ILXRZTDVSA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001219821277 855832143 /nfs/dbraw/zinc/83/21/43/855832143.db2.gz IZDVWSRACRTMTJ-ILXRZTDVSA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@@H]1O ZINC001219821277 855832147 /nfs/dbraw/zinc/83/21/47/855832147.db2.gz IZDVWSRACRTMTJ-ILXRZTDVSA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@@H]1O ZINC001219821277 855832151 /nfs/dbraw/zinc/83/21/51/855832151.db2.gz IZDVWSRACRTMTJ-ILXRZTDVSA-N 2 2 361.408 0.978 20 30 FCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001220283957 856043896 /nfs/dbraw/zinc/04/38/96/856043896.db2.gz AARAOTSXKHIWIM-LBPRGKRZSA-N 2 2 358.785 0.936 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000188958475 209243612 /nfs/dbraw/zinc/24/36/12/209243612.db2.gz OARMCTMDUHNHOY-UHFFFAOYSA-N 2 2 357.458 0.981 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000188958475 209243617 /nfs/dbraw/zinc/24/36/17/209243617.db2.gz OARMCTMDUHNHOY-UHFFFAOYSA-N 2 2 357.458 0.981 20 30 FCEDLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423626736 247081451 /nfs/dbraw/zinc/08/14/51/247081451.db2.gz GOINMSIZTYTROS-QAPCUYQASA-N 2 2 369.469 0.398 20 30 FCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000103492590 208179509 /nfs/dbraw/zinc/17/95/09/208179509.db2.gz LRMFGMPBAOCSBP-SFHVURJKSA-N 2 2 374.485 0.784 20 30 FCEDLP COC[C@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264075503 229321000 /nfs/dbraw/zinc/32/10/00/229321000.db2.gz FLYHNVCSKIJLRU-HNNXBMFYSA-N 2 2 350.463 0.837 20 30 FCEDLP COCC[N@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305025834 488893854 /nfs/dbraw/zinc/89/38/54/488893854.db2.gz PJRGAQCVLGWEBO-CQSZACIVSA-N 2 2 355.483 0.445 20 30 FCEDLP COCC[N@@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305025834 488893858 /nfs/dbraw/zinc/89/38/58/488893858.db2.gz PJRGAQCVLGWEBO-CQSZACIVSA-N 2 2 355.483 0.445 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910994 488899387 /nfs/dbraw/zinc/89/93/87/488899387.db2.gz RBJHWDWQESCFCV-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910994 488899389 /nfs/dbraw/zinc/89/93/89/488899389.db2.gz RBJHWDWQESCFCV-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCC(=O)N1C1CC1 ZINC000329050812 488963960 /nfs/dbraw/zinc/96/39/60/488963960.db2.gz KUNDUWGAOWEFJI-FRFSOERESA-N 2 2 361.446 0.902 20 30 FCEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC(=O)N1C1CC1 ZINC000329050812 488963961 /nfs/dbraw/zinc/96/39/61/488963961.db2.gz KUNDUWGAOWEFJI-FRFSOERESA-N 2 2 361.446 0.902 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000057171128 488267494 /nfs/dbraw/zinc/26/74/94/488267494.db2.gz XQFHGBQSBWSXAE-GOSISDBHSA-N 2 2 351.516 0.656 20 30 FCEDLP C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364758936 488998163 /nfs/dbraw/zinc/99/81/63/488998163.db2.gz SOBWEPICOLOPEY-QGZVFWFLSA-N 2 2 354.454 0.891 20 30 FCEDLP C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364758936 488998167 /nfs/dbraw/zinc/99/81/67/488998167.db2.gz SOBWEPICOLOPEY-QGZVFWFLSA-N 2 2 354.454 0.891 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329868260 489043414 /nfs/dbraw/zinc/04/34/14/489043414.db2.gz XFFHNWCJBMYYQV-KBPBESRZSA-N 2 2 356.467 0.587 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329868260 489043418 /nfs/dbraw/zinc/04/34/18/489043418.db2.gz XFFHNWCJBMYYQV-KBPBESRZSA-N 2 2 356.467 0.587 20 30 FCEDLP CC(C)[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329883601 489045147 /nfs/dbraw/zinc/04/51/47/489045147.db2.gz RFYAOHAUUBZUKB-MPGHIAIKSA-N 2 2 370.494 0.975 20 30 FCEDLP CC(C)[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329883601 489045150 /nfs/dbraw/zinc/04/51/50/489045150.db2.gz RFYAOHAUUBZUKB-MPGHIAIKSA-N 2 2 370.494 0.975 20 30 FCEDLP CC(C)[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329883601 489045153 /nfs/dbraw/zinc/04/51/53/489045153.db2.gz RFYAOHAUUBZUKB-MPGHIAIKSA-N 2 2 370.494 0.975 20 30 FCEDLP CC(C)[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329883601 489045156 /nfs/dbraw/zinc/04/51/56/489045156.db2.gz RFYAOHAUUBZUKB-MPGHIAIKSA-N 2 2 370.494 0.975 20 30 FCEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330206365 489080756 /nfs/dbraw/zinc/08/07/56/489080756.db2.gz DEWIGKOEZUGJFK-DLBZAZTESA-N 2 2 367.538 0.721 20 30 FCEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330206365 489080757 /nfs/dbraw/zinc/08/07/57/489080757.db2.gz DEWIGKOEZUGJFK-DLBZAZTESA-N 2 2 367.538 0.721 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000293371574 489183437 /nfs/dbraw/zinc/18/34/37/489183437.db2.gz MFASMVRVCIGVOQ-UHFFFAOYSA-N 2 2 373.457 0.236 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000293371574 489183440 /nfs/dbraw/zinc/18/34/40/489183440.db2.gz MFASMVRVCIGVOQ-UHFFFAOYSA-N 2 2 373.457 0.236 20 30 FCEDLP C=CCn1cc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)nn1 ZINC000570573119 491250652 /nfs/dbraw/zinc/25/06/52/491250652.db2.gz GZQRMZBEVHFTML-SFHVURJKSA-N 2 2 365.441 0.895 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286795657 489430014 /nfs/dbraw/zinc/43/00/14/489430014.db2.gz UOIFXLWMQCCBGE-KRWDZBQOSA-N 2 2 371.485 0.933 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420061812 489898887 /nfs/dbraw/zinc/89/88/87/489898887.db2.gz LRBNGKKZHJVWLL-QGZVFWFLSA-N 2 2 355.442 0.056 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)CC1 ZINC000422115984 490166717 /nfs/dbraw/zinc/16/67/17/490166717.db2.gz NPAZNRAJWPVDBP-INIZCTEOSA-N 2 2 363.506 0.623 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)CC1 ZINC000422115984 490166722 /nfs/dbraw/zinc/16/67/22/490166722.db2.gz NPAZNRAJWPVDBP-INIZCTEOSA-N 2 2 363.506 0.623 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528409088 490795462 /nfs/dbraw/zinc/79/54/62/490795462.db2.gz WSFSSVHGWGRLCS-QZTJIDSGSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528409088 490795463 /nfs/dbraw/zinc/79/54/63/490795463.db2.gz WSFSSVHGWGRLCS-QZTJIDSGSA-N 2 2 372.469 0.536 20 30 FCEDLP Cn1cc[nH+]c1N1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528426442 490797627 /nfs/dbraw/zinc/79/76/27/490797627.db2.gz TYLXYOCUKAIXBJ-UHFFFAOYSA-N 2 2 363.421 0.842 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000530230985 490894702 /nfs/dbraw/zinc/89/47/02/490894702.db2.gz KYJVUFJVWVVYIR-RTBURBONSA-N 2 2 374.485 0.294 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)C(C)C ZINC000574708149 491515128 /nfs/dbraw/zinc/51/51/28/491515128.db2.gz KIOBQEJAWXJEHZ-KRWDZBQOSA-N 2 2 350.507 0.965 20 30 FCEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000577526922 491629467 /nfs/dbraw/zinc/62/94/67/491629467.db2.gz GUERDIAHFHQVAW-CYBMUJFWSA-N 2 2 356.434 0.294 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1 ZINC000602033053 491958160 /nfs/dbraw/zinc/95/81/60/491958160.db2.gz DVEJMSAMCYXAOD-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1 ZINC000602033053 491958162 /nfs/dbraw/zinc/95/81/62/491958162.db2.gz DVEJMSAMCYXAOD-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602591675 491993539 /nfs/dbraw/zinc/99/35/39/491993539.db2.gz BREOUFNDTVZPMA-DLBZAZTESA-N 2 2 364.490 0.608 20 30 FCEDLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000611497756 492289119 /nfs/dbraw/zinc/28/91/19/492289119.db2.gz PGMHURFDTJWWGJ-UHFFFAOYSA-N 2 2 352.442 0.822 20 30 FCEDLP C[C@H](CC(=O)NCC#CCNC(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000651698955 492808836 /nfs/dbraw/zinc/80/88/36/492808836.db2.gz BROKHJNMZGHMDR-IYBDPMFKSA-N 2 2 356.430 0.918 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000641171305 493174544 /nfs/dbraw/zinc/17/45/44/493174544.db2.gz QDLJIXLGLRFDPC-INIZCTEOSA-N 2 2 367.457 0.696 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000262754179 526388884 /nfs/dbraw/zinc/38/88/84/526388884.db2.gz CSKHXYGUABUDDW-ZDUSSCGKSA-N 2 2 373.509 0.881 20 30 FCEDLP C[NH+]=C(NCc1sc(C)nc1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262023245 526393882 /nfs/dbraw/zinc/39/38/82/526393882.db2.gz ZGCPHCDWBKAOBA-UHFFFAOYSA-N 2 2 366.535 0.931 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000267189122 526443379 /nfs/dbraw/zinc/44/33/79/526443379.db2.gz QTSIYEBZBYEULM-UHFFFAOYSA-N 2 2 362.478 0.987 20 30 FCEDLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330519633 528020210 /nfs/dbraw/zinc/02/02/10/528020210.db2.gz HPNLMJHEJOKGEZ-HOTGVXAUSA-N 2 2 353.511 0.775 20 30 FCEDLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330519633 528020214 /nfs/dbraw/zinc/02/02/14/528020214.db2.gz HPNLMJHEJOKGEZ-HOTGVXAUSA-N 2 2 353.511 0.775 20 30 FCEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC1CCN(C(C)=O)CC1 ZINC000262230188 528806492 /nfs/dbraw/zinc/80/64/92/528806492.db2.gz MBRLWOIBVPKRAO-UHFFFAOYSA-N 2 2 353.511 0.663 20 30 FCEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC1CCN(C(C)=O)CC1 ZINC000262230188 528806499 /nfs/dbraw/zinc/80/64/99/528806499.db2.gz MBRLWOIBVPKRAO-UHFFFAOYSA-N 2 2 353.511 0.663 20 30 FCEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970200212 663247573 /nfs/dbraw/zinc/24/75/73/663247573.db2.gz ZXEDEETYOCQLMZ-NXHRZFHOSA-N 2 2 351.491 0.879 20 30 FCEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031869642 666537992 /nfs/dbraw/zinc/53/79/92/666537992.db2.gz XOUZALHQHODLLB-MSOLQXFVSA-N 2 2 351.491 0.880 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033292629 667726996 /nfs/dbraw/zinc/72/69/96/667726996.db2.gz SVEXNUAJDALIJX-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489083 673832275 /nfs/dbraw/zinc/83/22/75/673832275.db2.gz DBXMXDVCBJRLHA-AWEZNQCLSA-N 2 2 351.472 0.551 20 30 FCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489083 673832278 /nfs/dbraw/zinc/83/22/78/673832278.db2.gz DBXMXDVCBJRLHA-AWEZNQCLSA-N 2 2 351.472 0.551 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271594 1168481984 /nfs/dbraw/zinc/48/19/84/1168481984.db2.gz ZNSOWXQKSGKSGJ-HUUCEWRRSA-N 2 2 357.458 0.149 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC000972605076 1179950123 /nfs/dbraw/zinc/95/01/23/1179950123.db2.gz LVWHUPHMOXRMQX-IAGOWNOFSA-N 2 2 369.469 0.357 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734334 1180312585 /nfs/dbraw/zinc/31/25/85/1180312585.db2.gz QNCFOTCUYDLMBI-DLBZAZTESA-N 2 2 366.425 0.107 20 30 FCEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024573079 1181348360 /nfs/dbraw/zinc/34/83/60/1181348360.db2.gz WKVMCMOITPKYHC-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738186 1182411101 /nfs/dbraw/zinc/41/11/01/1182411101.db2.gz KAGXZUXOAOBOAK-BRWVUGGUSA-N 2 2 359.474 0.658 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966614 1183027134 /nfs/dbraw/zinc/02/71/34/1183027134.db2.gz FMLOAOVQWDETDG-HZPDHXFCSA-N 2 2 359.474 0.176 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565102 /nfs/dbraw/zinc/56/51/02/1187565102.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565109 /nfs/dbraw/zinc/56/51/09/1187565109.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565113 /nfs/dbraw/zinc/56/51/13/1187565113.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565121 /nfs/dbraw/zinc/56/51/21/1187565121.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 2 354.454 0.922 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087989076 1190134259 /nfs/dbraw/zinc/13/42/59/1190134259.db2.gz OGSRBWSVCVZKLS-SOLBZPMBSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087989076 1190134264 /nfs/dbraw/zinc/13/42/64/1190134264.db2.gz OGSRBWSVCVZKLS-SOLBZPMBSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121154 1190614208 /nfs/dbraw/zinc/61/42/08/1190614208.db2.gz RADYVYOFGIQZMD-VYDXJSESSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121154 1190614212 /nfs/dbraw/zinc/61/42/12/1190614212.db2.gz RADYVYOFGIQZMD-VYDXJSESSA-N 2 2 357.458 0.519 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100970 1224140117 /nfs/dbraw/zinc/14/01/17/1224140117.db2.gz DMRBGMRPMKNOES-CEXWTWQISA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001218100970 1224140119 /nfs/dbraw/zinc/14/01/19/1224140119.db2.gz DMRBGMRPMKNOES-CEXWTWQISA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100970 1224140121 /nfs/dbraw/zinc/14/01/21/1224140121.db2.gz DMRBGMRPMKNOES-CEXWTWQISA-N 2 2 363.502 0.811 20 30 FCEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218100970 1224140124 /nfs/dbraw/zinc/14/01/24/1224140124.db2.gz DMRBGMRPMKNOES-CEXWTWQISA-N 2 2 363.502 0.811 20 30 FCEDLP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001218210742 1224147228 /nfs/dbraw/zinc/14/72/28/1224147228.db2.gz ILLKPQNLFHONNA-HOTGVXAUSA-N 2 2 373.409 0.461 20 30 FCEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524576 1224167629 /nfs/dbraw/zinc/16/76/29/1224167629.db2.gz ZMPXMAJZCSKWAH-KSZLIROESA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524576 1224167633 /nfs/dbraw/zinc/16/76/33/1224167633.db2.gz ZMPXMAJZCSKWAH-KSZLIROESA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524576 1224167638 /nfs/dbraw/zinc/16/76/38/1224167638.db2.gz ZMPXMAJZCSKWAH-KSZLIROESA-N 2 2 367.490 0.210 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524576 1224167639 /nfs/dbraw/zinc/16/76/39/1224167639.db2.gz ZMPXMAJZCSKWAH-KSZLIROESA-N 2 2 367.490 0.210 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465923 1193796777 /nfs/dbraw/zinc/79/67/77/1193796777.db2.gz YKKYESQKYKLACD-ZCNNSNEGSA-N 2 2 353.466 0.541 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465923 1193796781 /nfs/dbraw/zinc/79/67/81/1193796781.db2.gz YKKYESQKYKLACD-ZCNNSNEGSA-N 2 2 353.466 0.541 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472936 1193904978 /nfs/dbraw/zinc/90/49/78/1193904978.db2.gz XZLRPBYZFXJNBX-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472936 1193904983 /nfs/dbraw/zinc/90/49/83/1193904983.db2.gz XZLRPBYZFXJNBX-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472936 1193904992 /nfs/dbraw/zinc/90/49/92/1193904992.db2.gz XZLRPBYZFXJNBX-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472936 1193904998 /nfs/dbraw/zinc/90/49/98/1193904998.db2.gz XZLRPBYZFXJNBX-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811982 1195033796 /nfs/dbraw/zinc/03/37/96/1195033796.db2.gz YSPHSWKCRBWCHT-KZNAEPCWSA-N 2 2 358.442 0.344 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811982 1195033801 /nfs/dbraw/zinc/03/38/01/1195033801.db2.gz YSPHSWKCRBWCHT-KZNAEPCWSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811982 1195033807 /nfs/dbraw/zinc/03/38/07/1195033807.db2.gz YSPHSWKCRBWCHT-KZNAEPCWSA-N 2 2 358.442 0.344 20 30 FCEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076811982 1195033811 /nfs/dbraw/zinc/03/38/11/1195033811.db2.gz YSPHSWKCRBWCHT-KZNAEPCWSA-N 2 2 358.442 0.344 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023809 1195160126 /nfs/dbraw/zinc/16/01/26/1195160126.db2.gz UHEKBQZDPKYDPE-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077023809 1195160129 /nfs/dbraw/zinc/16/01/29/1195160129.db2.gz UHEKBQZDPKYDPE-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077023809 1195160132 /nfs/dbraw/zinc/16/01/32/1195160132.db2.gz UHEKBQZDPKYDPE-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077023809 1195160136 /nfs/dbraw/zinc/16/01/36/1195160136.db2.gz UHEKBQZDPKYDPE-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000591739990 1196526184 /nfs/dbraw/zinc/52/61/84/1196526184.db2.gz AKHXNNRZJZLKRE-MOPGFXCFSA-N 2 2 374.485 0.294 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000591740002 1196526234 /nfs/dbraw/zinc/52/62/34/1196526234.db2.gz AKHXNNRZJZLKRE-OALUTQOASA-N 2 2 374.485 0.294 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)[C@@H]2C)CC1 ZINC001089060083 1196879724 /nfs/dbraw/zinc/87/97/24/1196879724.db2.gz RRABJLUZKBFVTC-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)[C@@H]2C)CC1 ZINC001089060083 1196879727 /nfs/dbraw/zinc/87/97/27/1196879727.db2.gz RRABJLUZKBFVTC-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419540 1197913408 /nfs/dbraw/zinc/91/34/08/1197913408.db2.gz PQQZFZGAKFZBTM-OWCLPIDISA-N 2 2 367.453 0.770 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464209 1197945704 /nfs/dbraw/zinc/94/57/04/1197945704.db2.gz LWKXAOFNSRUBSI-OWCLPIDISA-N 2 2 361.490 0.728 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086482374 1198956064 /nfs/dbraw/zinc/95/60/64/1198956064.db2.gz BVTFVDHWKSNXKS-WRQOLXDDSA-N 2 2 371.485 0.795 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067848 1200036507 /nfs/dbraw/zinc/03/65/07/1200036507.db2.gz KFSKMFHCIKGIKK-QZWWFDLISA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067848 1200036514 /nfs/dbraw/zinc/03/65/14/1200036514.db2.gz KFSKMFHCIKGIKK-QZWWFDLISA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109067848 1200036526 /nfs/dbraw/zinc/03/65/26/1200036526.db2.gz KFSKMFHCIKGIKK-QZWWFDLISA-N 2 2 361.490 0.564 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109067848 1200036529 /nfs/dbraw/zinc/03/65/29/1200036529.db2.gz KFSKMFHCIKGIKK-QZWWFDLISA-N 2 2 361.490 0.564 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109399848 1200248153 /nfs/dbraw/zinc/24/81/53/1200248153.db2.gz ZJTXWTIEEQSOBE-NCOADZHNSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109399848 1200248159 /nfs/dbraw/zinc/24/81/59/1200248159.db2.gz ZJTXWTIEEQSOBE-NCOADZHNSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109399848 1200248168 /nfs/dbraw/zinc/24/81/68/1200248168.db2.gz ZJTXWTIEEQSOBE-NCOADZHNSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109399848 1200248177 /nfs/dbraw/zinc/24/81/77/1200248177.db2.gz ZJTXWTIEEQSOBE-NCOADZHNSA-N 2 2 361.490 0.611 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)cc1 ZINC001109841656 1200555416 /nfs/dbraw/zinc/55/54/16/1200555416.db2.gz VBAZEOUWHLBUOI-SQNIBIBYSA-N 2 2 369.469 0.723 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)cc1 ZINC001109841656 1200555419 /nfs/dbraw/zinc/55/54/19/1200555419.db2.gz VBAZEOUWHLBUOI-SQNIBIBYSA-N 2 2 369.469 0.723 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396434 1201295429 /nfs/dbraw/zinc/29/54/29/1201295429.db2.gz COVAHYAJYWIZJP-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396434 1201295437 /nfs/dbraw/zinc/29/54/37/1201295437.db2.gz COVAHYAJYWIZJP-SJORKVTESA-N 2 2 362.478 0.001 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910394 1201423238 /nfs/dbraw/zinc/42/32/38/1201423238.db2.gz QWRJONMRHLHVFU-CVEARBPZSA-N 2 2 355.446 0.583 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952494 1201449083 /nfs/dbraw/zinc/44/90/83/1201449083.db2.gz XJRVMIWMUSVUDK-CVEARBPZSA-N 2 2 359.434 0.109 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130242303 1201562714 /nfs/dbraw/zinc/56/27/14/1201562714.db2.gz QHWWOZJJZDNCMV-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698573 1202758102 /nfs/dbraw/zinc/75/81/02/1202758102.db2.gz ONEBXVIZHZPQLF-GOEBONIOSA-N 2 2 358.446 0.473 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103079 1202867519 /nfs/dbraw/zinc/86/75/19/1202867519.db2.gz CPBIQQPORRWTEB-IKGGRYGDSA-N 2 2 361.490 0.566 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103079 1202867520 /nfs/dbraw/zinc/86/75/20/1202867520.db2.gz CPBIQQPORRWTEB-IKGGRYGDSA-N 2 2 361.490 0.566 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000817824129 1203122157 /nfs/dbraw/zinc/12/21/57/1203122157.db2.gz ZEQVCYONZGCPTL-GOSISDBHSA-N 2 2 368.481 0.569 20 30 FCEDLP C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000817824129 1203122158 /nfs/dbraw/zinc/12/21/58/1203122158.db2.gz ZEQVCYONZGCPTL-GOSISDBHSA-N 2 2 368.481 0.569 20 30 FCEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000818942899 1203145992 /nfs/dbraw/zinc/14/59/92/1203145992.db2.gz LXSRWIPPFODZBR-UHFFFAOYSA-N 2 2 358.486 0.936 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC1 ZINC001220228922 1224810506 /nfs/dbraw/zinc/81/05/06/1224810506.db2.gz DBQYJFTTZFZMTG-SJORKVTESA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC1 ZINC001220228922 1224810508 /nfs/dbraw/zinc/81/05/08/1224810508.db2.gz DBQYJFTTZFZMTG-SJORKVTESA-N 2 2 360.433 0.700 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1C#N ZINC001220232284 1224811521 /nfs/dbraw/zinc/81/15/21/1224811521.db2.gz NEMHELNAJDATHX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1C#N ZINC001220232284 1224811524 /nfs/dbraw/zinc/81/15/24/1224811524.db2.gz NEMHELNAJDATHX-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]2C1 ZINC001144158463 1204427897 /nfs/dbraw/zinc/42/78/97/1204427897.db2.gz GSAFKXQHZCDGGX-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cn3)CC[C@@H]2C1 ZINC001144158463 1204427899 /nfs/dbraw/zinc/42/78/99/1204427899.db2.gz GSAFKXQHZCDGGX-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@@H]2C1 ZINC001144158463 1204427901 /nfs/dbraw/zinc/42/79/01/1204427901.db2.gz GSAFKXQHZCDGGX-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC[C@@H]2C1 ZINC001144158463 1204427903 /nfs/dbraw/zinc/42/79/03/1204427903.db2.gz GSAFKXQHZCDGGX-SJLPKXTDSA-N 2 2 357.458 0.564 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898163 1205076667 /nfs/dbraw/zinc/07/66/67/1205076667.db2.gz KOJZOPKLTAUKOW-UWVAXJGDSA-N 2 2 371.485 0.840 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898163 1205076671 /nfs/dbraw/zinc/07/66/71/1205076671.db2.gz KOJZOPKLTAUKOW-UWVAXJGDSA-N 2 2 371.485 0.840 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001092314857 1205245475 /nfs/dbraw/zinc/24/54/75/1205245475.db2.gz VJOJDJNFBRYYAJ-HUUCEWRRSA-N 2 2 368.445 0.440 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093455217 1206088427 /nfs/dbraw/zinc/08/84/27/1206088427.db2.gz LMDFECMRUFQMIL-YAJHFMINSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CC1 ZINC001110146291 1206091251 /nfs/dbraw/zinc/09/12/51/1206091251.db2.gz TZWCCVHHXLZZML-SQNIBIBYSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CC1 ZINC001110146291 1206091255 /nfs/dbraw/zinc/09/12/55/1206091255.db2.gz TZWCCVHHXLZZML-SQNIBIBYSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181780853 1206414786 /nfs/dbraw/zinc/41/47/86/1206414786.db2.gz BQBGIXPSRONISO-DEXNDLTESA-N 2 2 357.458 0.337 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181780853 1206414791 /nfs/dbraw/zinc/41/47/91/1206414791.db2.gz BQBGIXPSRONISO-DEXNDLTESA-N 2 2 357.458 0.337 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193447891 1207873181 /nfs/dbraw/zinc/87/31/81/1207873181.db2.gz YUFNPRNVDXEWNY-RCCFBDPRSA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193447891 1207873182 /nfs/dbraw/zinc/87/31/82/1207873182.db2.gz YUFNPRNVDXEWNY-RCCFBDPRSA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193447612 1207873418 /nfs/dbraw/zinc/87/34/18/1207873418.db2.gz SRLXCDJSLDVZAX-KZNAEPCWSA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193447612 1207873421 /nfs/dbraw/zinc/87/34/21/1207873421.db2.gz SRLXCDJSLDVZAX-KZNAEPCWSA-N 2 2 362.449 0.899 20 30 FCEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)n2nc(N)c(C#N)c2N)cc1 ZINC001198018993 1208211511 /nfs/dbraw/zinc/21/15/11/1208211511.db2.gz TWFDJCOKDKPFMH-UHFFFAOYSA-N 2 2 355.446 0.991 20 30 FCEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)n2nc(N)c(C#N)c2N)cc1 ZINC001198018993 1208211513 /nfs/dbraw/zinc/21/15/13/1208211513.db2.gz TWFDJCOKDKPFMH-UHFFFAOYSA-N 2 2 355.446 0.991 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370558 1208344266 /nfs/dbraw/zinc/34/42/66/1208344266.db2.gz YEIQRQZYOISSDF-BRWVUGGUSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370558 1208344268 /nfs/dbraw/zinc/34/42/68/1208344268.db2.gz YEIQRQZYOISSDF-BRWVUGGUSA-N 2 2 366.506 0.105 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661222 1209583447 /nfs/dbraw/zinc/58/34/47/1209583447.db2.gz NOKHUYPUPGXHIT-YRXWBPOGSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661222 1209583451 /nfs/dbraw/zinc/58/34/51/1209583451.db2.gz NOKHUYPUPGXHIT-YRXWBPOGSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661222 1209583456 /nfs/dbraw/zinc/58/34/56/1209583456.db2.gz NOKHUYPUPGXHIT-YRXWBPOGSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661222 1209583463 /nfs/dbraw/zinc/58/34/63/1209583463.db2.gz NOKHUYPUPGXHIT-YRXWBPOGSA-N 2 2 372.513 0.864 20 30 FCEDLP O=C(NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202153 1210178962 /nfs/dbraw/zinc/17/89/62/1210178962.db2.gz WQKKFQGTKFDVPJ-XKUVRLAISA-N 2 2 370.453 0.739 20 30 FCEDLP O=C(NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202153 1210178968 /nfs/dbraw/zinc/17/89/68/1210178968.db2.gz WQKKFQGTKFDVPJ-XKUVRLAISA-N 2 2 370.453 0.739 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552261 1210648035 /nfs/dbraw/zinc/64/80/35/1210648035.db2.gz KOGIYSVXLQMWPR-FVQBIDKESA-N 2 2 357.458 0.242 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000884206508 1210722588 /nfs/dbraw/zinc/72/25/88/1210722588.db2.gz XANGSEUYVBCFPI-ZACQAIPSSA-N 2 2 366.506 0.450 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000884407501 1210733692 /nfs/dbraw/zinc/73/36/92/1210733692.db2.gz FHHUNWQHZCQOKQ-QGZVFWFLSA-N 2 2 364.490 0.265 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000884407501 1210733696 /nfs/dbraw/zinc/73/36/96/1210733696.db2.gz FHHUNWQHZCQOKQ-QGZVFWFLSA-N 2 2 364.490 0.265 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001095555695 1211410037 /nfs/dbraw/zinc/41/00/37/1211410037.db2.gz YWMBEUHCSJGDNA-XWSJACJDSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001095555695 1211410046 /nfs/dbraw/zinc/41/00/46/1211410046.db2.gz YWMBEUHCSJGDNA-XWSJACJDSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccn(C)c(=O)c1 ZINC001095555695 1211410049 /nfs/dbraw/zinc/41/00/49/1211410049.db2.gz YWMBEUHCSJGDNA-XWSJACJDSA-N 2 2 368.481 0.704 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccn(C)c(=O)c1 ZINC001095555695 1211410053 /nfs/dbraw/zinc/41/00/53/1211410053.db2.gz YWMBEUHCSJGDNA-XWSJACJDSA-N 2 2 368.481 0.704 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444854 1225314498 /nfs/dbraw/zinc/31/44/98/1225314498.db2.gz QEPLJBPJGHVGLF-FGTMMUONSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444854 1225314501 /nfs/dbraw/zinc/31/45/01/1225314501.db2.gz QEPLJBPJGHVGLF-FGTMMUONSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444854 1225314509 /nfs/dbraw/zinc/31/45/09/1225314509.db2.gz QEPLJBPJGHVGLF-FGTMMUONSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444854 1225314511 /nfs/dbraw/zinc/31/45/11/1225314511.db2.gz QEPLJBPJGHVGLF-FGTMMUONSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111124070 1211892096 /nfs/dbraw/zinc/89/20/96/1211892096.db2.gz SJDWLNANGBGTNZ-ZACQAIPSSA-N 2 2 374.489 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111124070 1211892097 /nfs/dbraw/zinc/89/20/97/1211892097.db2.gz SJDWLNANGBGTNZ-ZACQAIPSSA-N 2 2 374.489 0.082 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145754 1211899274 /nfs/dbraw/zinc/89/92/74/1211899274.db2.gz VMMBINMXPZGZMI-QRVBRYPASA-N 2 2 368.481 0.833 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145754 1211899277 /nfs/dbraw/zinc/89/92/77/1211899277.db2.gz VMMBINMXPZGZMI-QRVBRYPASA-N 2 2 368.481 0.833 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221616196 1225400032 /nfs/dbraw/zinc/40/00/32/1225400032.db2.gz IATGZHIDPDORKD-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221616196 1225400035 /nfs/dbraw/zinc/40/00/35/1225400035.db2.gz IATGZHIDPDORKD-KZNAEPCWSA-N 2 2 360.502 0.531 20 30 FCEDLP 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C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC001118616128 1221808806 /nfs/dbraw/zinc/80/88/06/1221808806.db2.gz IQQVMWKRFZYAFS-HZPDHXFCSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC001118616128 1221808807 /nfs/dbraw/zinc/80/88/07/1221808807.db2.gz IQQVMWKRFZYAFS-HZPDHXFCSA-N 2 2 361.490 0.423 20 30 FCEDLP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121267100 1222157861 /nfs/dbraw/zinc/15/78/61/1222157861.db2.gz CVERVKXREGXDMJ-AGTUJZOGSA-N 2 2 357.458 0.832 20 30 FCEDLP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121267100 1222157867 /nfs/dbraw/zinc/15/78/67/1222157867.db2.gz CVERVKXREGXDMJ-AGTUJZOGSA-N 2 2 357.458 0.832 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cc(C#N)ccn3)CC2)C1=O ZINC001232476906 1226153663 /nfs/dbraw/zinc/15/36/63/1226153663.db2.gz YXPNJDZPINGDST-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cc(C#N)ccn3)CC2)C1=O ZINC001232476906 1226153668 /nfs/dbraw/zinc/15/36/68/1226153668.db2.gz YXPNJDZPINGDST-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277710753 1226166024 /nfs/dbraw/zinc/16/60/24/1226166024.db2.gz BENWLSBHUWVCGZ-IRXDYDNUSA-N 2 2 360.458 0.149 20 30 FCEDLP COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209583 1223090664 /nfs/dbraw/zinc/09/06/64/1223090664.db2.gz YVCZJUJRWNUWFZ-YPMHNXCESA-N 2 2 366.381 0.458 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336604 1223155933 /nfs/dbraw/zinc/15/59/33/1223155933.db2.gz FFQIPEDVIQLMDF-JHJVBQTASA-N 2 2 362.434 0.009 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336604 1223155936 /nfs/dbraw/zinc/15/59/36/1223155936.db2.gz FFQIPEDVIQLMDF-JHJVBQTASA-N 2 2 362.434 0.009 20 30 FCEDLP C=CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001160436039 1223160096 /nfs/dbraw/zinc/16/00/96/1223160096.db2.gz GOYXDJRYQBDJNE-OALUTQOASA-N 2 2 370.497 0.796 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790906 1223480011 /nfs/dbraw/zinc/48/00/11/1223480011.db2.gz ZYCLISNPPPRASM-GDBMZVCRSA-N 2 2 363.506 0.716 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790906 1223480012 /nfs/dbraw/zinc/48/00/12/1223480012.db2.gz ZYCLISNPPPRASM-GDBMZVCRSA-N 2 2 363.506 0.716 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207790906 1223480013 /nfs/dbraw/zinc/48/00/13/1223480013.db2.gz ZYCLISNPPPRASM-GDBMZVCRSA-N 2 2 363.506 0.716 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207790906 1223480014 /nfs/dbraw/zinc/48/00/14/1223480014.db2.gz ZYCLISNPPPRASM-GDBMZVCRSA-N 2 2 363.506 0.716 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428475 1223543871 /nfs/dbraw/zinc/54/38/71/1223543871.db2.gz XHXMQSDLXNDXFO-UKPHBRMFSA-N 2 2 359.474 0.493 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428475 1223543878 /nfs/dbraw/zinc/54/38/78/1223543878.db2.gz XHXMQSDLXNDXFO-UKPHBRMFSA-N 2 2 359.474 0.493 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428474 1223544522 /nfs/dbraw/zinc/54/45/22/1223544522.db2.gz XHXMQSDLXNDXFO-FRFSOERESA-N 2 2 359.474 0.493 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428474 1223544525 /nfs/dbraw/zinc/54/45/25/1223544525.db2.gz XHXMQSDLXNDXFO-FRFSOERESA-N 2 2 359.474 0.493 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477324 1223623065 /nfs/dbraw/zinc/62/30/65/1223623065.db2.gz FHWMHUXPAMRXCT-IAGOWNOFSA-N 2 2 366.506 0.228 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477324 1223623066 /nfs/dbraw/zinc/62/30/66/1223623066.db2.gz FHWMHUXPAMRXCT-IAGOWNOFSA-N 2 2 366.506 0.228 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440537 1223798909 /nfs/dbraw/zinc/79/89/09/1223798909.db2.gz TWHIXIGVFLDVJJ-CGTJXYLNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440537 1223798910 /nfs/dbraw/zinc/79/89/10/1223798910.db2.gz TWHIXIGVFLDVJJ-CGTJXYLNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449943 1223800778 /nfs/dbraw/zinc/80/07/78/1223800778.db2.gz YDMMMWZKSNENEJ-BZUAXINKSA-N 2 2 368.522 0.470 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449943 1223800780 /nfs/dbraw/zinc/80/07/80/1223800780.db2.gz YDMMMWZKSNENEJ-BZUAXINKSA-N 2 2 368.522 0.470 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449943 1223800781 /nfs/dbraw/zinc/80/07/81/1223800781.db2.gz YDMMMWZKSNENEJ-BZUAXINKSA-N 2 2 368.522 0.470 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449943 1223800782 /nfs/dbraw/zinc/80/07/82/1223800782.db2.gz YDMMMWZKSNENEJ-BZUAXINKSA-N 2 2 368.522 0.470 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767056 1223846652 /nfs/dbraw/zinc/84/66/52/1223846652.db2.gz FJGJLHDWTZGQRA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767056 1223846654 /nfs/dbraw/zinc/84/66/54/1223846654.db2.gz FJGJLHDWTZGQRA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767056 1223846657 /nfs/dbraw/zinc/84/66/57/1223846657.db2.gz FJGJLHDWTZGQRA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767056 1223846658 /nfs/dbraw/zinc/84/66/58/1223846658.db2.gz FJGJLHDWTZGQRA-IAGOWNOFSA-N 2 2 368.522 0.568 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001215456384 1224000824 /nfs/dbraw/zinc/00/08/24/1224000824.db2.gz SVSXAXMPILNJSK-XOKHGSTOSA-N 2 2 363.462 0.096 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001215456384 1224000826 /nfs/dbraw/zinc/00/08/26/1224000826.db2.gz SVSXAXMPILNJSK-XOKHGSTOSA-N 2 2 363.462 0.096 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000849053185 1245391020 /nfs/dbraw/zinc/39/10/20/1245391020.db2.gz KFAHWZSAINNRTF-UHFFFAOYSA-N 2 2 367.538 0.519 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001003651779 1253033531 /nfs/dbraw/zinc/03/35/31/1253033531.db2.gz HKJMLIUTKIXEPN-BRWVUGGUSA-N 2 2 371.485 0.891 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001003676980 1253057396 /nfs/dbraw/zinc/05/73/96/1253057396.db2.gz QJXXLCWPHZQJHU-BDXSIMOUSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001003676980 1253057409 /nfs/dbraw/zinc/05/74/09/1253057409.db2.gz QJXXLCWPHZQJHU-BDXSIMOUSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC001035755443 1254061723 /nfs/dbraw/zinc/06/17/23/1254061723.db2.gz MWNDEAQLTXGIFF-MSOLQXFVSA-N 2 2 361.486 0.424 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001078175353 1255288061 /nfs/dbraw/zinc/28/80/61/1255288061.db2.gz YJJOGJMZGQTHME-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001078175353 1255288062 /nfs/dbraw/zinc/28/80/62/1255288062.db2.gz YJJOGJMZGQTHME-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001078175353 1255288064 /nfs/dbraw/zinc/28/80/64/1255288064.db2.gz YJJOGJMZGQTHME-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001078175353 1255288065 /nfs/dbraw/zinc/28/80/65/1255288065.db2.gz YJJOGJMZGQTHME-DJIMGWMZSA-N 2 2 358.442 0.180 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2O)CC1 ZINC001078228046 1255343001 /nfs/dbraw/zinc/34/30/01/1255343001.db2.gz ACPCGXSNKURGRH-RTBURBONSA-N 2 2 356.470 0.397 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2O)CC1 ZINC001078228046 1255343011 /nfs/dbraw/zinc/34/30/11/1255343011.db2.gz ACPCGXSNKURGRH-RTBURBONSA-N 2 2 356.470 0.397 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001079878210 1255648070 /nfs/dbraw/zinc/64/80/70/1255648070.db2.gz MJRDIWKSEHFGEM-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001079878210 1255648074 /nfs/dbraw/zinc/64/80/74/1255648074.db2.gz MJRDIWKSEHFGEM-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001079878210 1255648081 /nfs/dbraw/zinc/64/80/81/1255648081.db2.gz MJRDIWKSEHFGEM-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001079878210 1255648089 /nfs/dbraw/zinc/64/80/89/1255648089.db2.gz MJRDIWKSEHFGEM-LZQZEXGQSA-N 2 2 368.481 0.820 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1C ZINC001079878068 1255649045 /nfs/dbraw/zinc/64/90/45/1255649045.db2.gz DYPCVMAKIIZLRS-OIISXLGYSA-N 2 2 359.474 0.845 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1C ZINC001079878068 1255649052 /nfs/dbraw/zinc/64/90/52/1255649052.db2.gz DYPCVMAKIIZLRS-OIISXLGYSA-N 2 2 359.474 0.845 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1C ZINC001079878068 1255649058 /nfs/dbraw/zinc/64/90/58/1255649058.db2.gz DYPCVMAKIIZLRS-OIISXLGYSA-N 2 2 359.474 0.845 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1C ZINC001079878068 1255649061 /nfs/dbraw/zinc/64/90/61/1255649061.db2.gz DYPCVMAKIIZLRS-OIISXLGYSA-N 2 2 359.474 0.845 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328041 1256669995 /nfs/dbraw/zinc/66/99/95/1256669995.db2.gz AAZPIXNLQRFDPD-QZTJIDSGSA-N 2 2 354.454 0.969 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328041 1256669999 /nfs/dbraw/zinc/66/99/99/1256669999.db2.gz AAZPIXNLQRFDPD-QZTJIDSGSA-N 2 2 354.454 0.969 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2OC)CC1 ZINC001082384395 1256735275 /nfs/dbraw/zinc/73/52/75/1256735275.db2.gz TXBKPRJCWNNYRJ-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2OC)CC1 ZINC001082384395 1256735278 /nfs/dbraw/zinc/73/52/78/1256735278.db2.gz TXBKPRJCWNNYRJ-QZTJIDSGSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001082568008 1256873937 /nfs/dbraw/zinc/87/39/37/1256873937.db2.gz RJYDCKIDQOMNLA-ZACQAIPSSA-N 2 2 358.490 0.722 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001082568008 1256873949 /nfs/dbraw/zinc/87/39/49/1256873949.db2.gz RJYDCKIDQOMNLA-ZACQAIPSSA-N 2 2 358.490 0.722 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001082940984 1257159205 /nfs/dbraw/zinc/15/92/05/1257159205.db2.gz GVWCKYHJWASNKP-GDBMZVCRSA-N 2 2 359.474 0.914 20 30 FCEDLP N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)ccc1F ZINC001083958825 1257749985 /nfs/dbraw/zinc/74/99/85/1257749985.db2.gz YALGKAWREOKNCJ-SJORKVTESA-N 2 2 358.417 0.454 20 30 FCEDLP N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)ccc1F ZINC001083958825 1257749991 /nfs/dbraw/zinc/74/99/91/1257749991.db2.gz YALGKAWREOKNCJ-SJORKVTESA-N 2 2 358.417 0.454 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCc3nc(C)no3)C[C@H]21 ZINC001084417728 1258097675 /nfs/dbraw/zinc/09/76/75/1258097675.db2.gz AXVWMIUGGAVLOJ-FGTMMUONSA-N 2 2 371.485 0.941 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCc3nc(C)no3)C[C@H]21 ZINC001084417728 1258097685 /nfs/dbraw/zinc/09/76/85/1258097685.db2.gz AXVWMIUGGAVLOJ-FGTMMUONSA-N 2 2 371.485 0.941 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCc3nc(C)no3)C[C@H]21 ZINC001084417728 1258097693 /nfs/dbraw/zinc/09/76/93/1258097693.db2.gz AXVWMIUGGAVLOJ-FGTMMUONSA-N 2 2 371.485 0.941 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCc3nc(C)no3)C[C@H]21 ZINC001084417728 1258097701 /nfs/dbraw/zinc/09/77/01/1258097701.db2.gz AXVWMIUGGAVLOJ-FGTMMUONSA-N 2 2 371.485 0.941 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106656431 1258934202 /nfs/dbraw/zinc/93/42/02/1258934202.db2.gz VUQPLVPQEPMLPX-MCIONIFRSA-N 2 2 358.446 0.153 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076488 1259028064 /nfs/dbraw/zinc/02/80/64/1259028064.db2.gz XSBLWGPCJUWDKQ-BRWVUGGUSA-N 2 2 359.474 0.485 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622722 1259135372 /nfs/dbraw/zinc/13/53/72/1259135372.db2.gz URDVGVUDDMODPJ-YLJYHZDGSA-N 2 2 371.485 0.463 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622722 1259135373 /nfs/dbraw/zinc/13/53/73/1259135373.db2.gz URDVGVUDDMODPJ-YLJYHZDGSA-N 2 2 371.485 0.463 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129065525 1259302256 /nfs/dbraw/zinc/30/22/56/1259302256.db2.gz XUDRBFFKKVTNKB-CVEARBPZSA-N 2 2 362.478 0.164 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129065525 1259302264 /nfs/dbraw/zinc/30/22/64/1259302264.db2.gz XUDRBFFKKVTNKB-CVEARBPZSA-N 2 2 362.478 0.164 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129081359 1259307118 /nfs/dbraw/zinc/30/71/18/1259307118.db2.gz ZPKOWTWNYBJAPG-SJORKVTESA-N 2 2 353.430 0.174 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129081359 1259307124 /nfs/dbraw/zinc/30/71/24/1259307124.db2.gz ZPKOWTWNYBJAPG-SJORKVTESA-N 2 2 353.430 0.174 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127505 1259323283 /nfs/dbraw/zinc/32/32/83/1259323283.db2.gz GHYJLDOKPVCREW-SJORKVTESA-N 2 2 358.490 0.907 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127505 1259323288 /nfs/dbraw/zinc/32/32/88/1259323288.db2.gz GHYJLDOKPVCREW-SJORKVTESA-N 2 2 358.490 0.907 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399721 1259489758 /nfs/dbraw/zinc/48/97/58/1259489758.db2.gz QSWWCCMXHLUIIF-GVDBMIGSSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399721 1259489761 /nfs/dbraw/zinc/48/97/61/1259489761.db2.gz QSWWCCMXHLUIIF-GVDBMIGSSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399721 1259489764 /nfs/dbraw/zinc/48/97/64/1259489764.db2.gz QSWWCCMXHLUIIF-GVDBMIGSSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399721 1259489772 /nfs/dbraw/zinc/48/97/72/1259489772.db2.gz QSWWCCMXHLUIIF-GVDBMIGSSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)C1=O ZINC001212407569 1259494246 /nfs/dbraw/zinc/49/42/46/1259494246.db2.gz BCMJRKXQLJUHMM-BZUAXINKSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)C1=O ZINC001212407569 1259494250 /nfs/dbraw/zinc/49/42/50/1259494250.db2.gz BCMJRKXQLJUHMM-BZUAXINKSA-N 2 2 364.490 0.073 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC001322783091 1264263709 /nfs/dbraw/zinc/26/37/09/1264263709.db2.gz VOPXQRIECYBMLW-KXBFYZLASA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC001322783091 1264263716 /nfs/dbraw/zinc/26/37/16/1264263716.db2.gz VOPXQRIECYBMLW-KXBFYZLASA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)CC2)CC1 ZINC001341149531 1268808763 /nfs/dbraw/zinc/80/87/63/1268808763.db2.gz WZIKXXMKTOBUAJ-SFHVURJKSA-N 2 2 365.453 0.125 20 30 FCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001343560977 1269947462 /nfs/dbraw/zinc/94/74/62/1269947462.db2.gz PBIFSHRKAICUQA-INIZCTEOSA-N 2 2 374.489 0.645 20 30 FCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001343560977 1269947466 /nfs/dbraw/zinc/94/74/66/1269947466.db2.gz PBIFSHRKAICUQA-INIZCTEOSA-N 2 2 374.489 0.645 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC(C)(C)COC)CC1 ZINC001574706242 1271496696 /nfs/dbraw/zinc/49/66/96/1271496696.db2.gz AIBHXBKSXHVTRM-IYBDPMFKSA-N 2 2 360.506 0.911 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH3+])CC1 ZINC001574706815 1271496770 /nfs/dbraw/zinc/49/67/70/1271496770.db2.gz IEIIETPUACAFLX-MRXNPFEDSA-N 2 2 368.485 0.980 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001574707477 1271498510 /nfs/dbraw/zinc/49/85/10/1271498510.db2.gz SZXJOFKDNBFMKT-INIZCTEOSA-N 2 2 366.473 0.490 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[NH3+])CC1 ZINC001574707370 1271498552 /nfs/dbraw/zinc/49/85/52/1271498552.db2.gz QVCAIAUFTBPNTP-HOTGVXAUSA-N 2 2 362.478 0.106 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001716099559 1287371938 /nfs/dbraw/zinc/37/19/38/1287371938.db2.gz FATCFVQKALUHES-BZUAXINKSA-N 2 2 371.416 0.801 20 30 FCEDLP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716100368 1287372103 /nfs/dbraw/zinc/37/21/03/1287372103.db2.gz OHJNAULGTALWOC-IJLUTSLNSA-N 2 2 357.252 0.499 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351106 1282447837 /nfs/dbraw/zinc/44/78/37/1282447837.db2.gz DZONKPRVFZMTTH-CJNGLKHVSA-N 2 2 368.445 0.088 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001588351106 1282447839 /nfs/dbraw/zinc/44/78/39/1282447839.db2.gz DZONKPRVFZMTTH-CJNGLKHVSA-N 2 2 368.445 0.088 20 30 FCEDLP C=CCCC(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001588572287 1282569009 /nfs/dbraw/zinc/56/90/09/1282569009.db2.gz CYALKPNCWVTISD-UHFFFAOYSA-N 2 2 370.461 0.775 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001692182498 1289420074 /nfs/dbraw/zinc/42/00/74/1289420074.db2.gz YTPJBEGQMYXOCA-ZBFHGGJFSA-N 2 2 368.441 0.762 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001692182498 1289420080 /nfs/dbraw/zinc/42/00/80/1289420080.db2.gz YTPJBEGQMYXOCA-ZBFHGGJFSA-N 2 2 368.441 0.762 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1C#N ZINC001699065925 1289544699 /nfs/dbraw/zinc/54/46/99/1289544699.db2.gz JABNKAYONTZXIH-BRWVUGGUSA-N 2 2 371.416 0.801 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001688992156 1294561928 /nfs/dbraw/zinc/56/19/28/1294561928.db2.gz KGUFHXVJRXBKCN-LSDHHAIUSA-N 2 2 353.426 0.572 20 30 FCEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468835 852080705 /nfs/dbraw/zinc/08/07/05/852080705.db2.gz PLSOKUSFQAHVEU-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468835 852080710 /nfs/dbraw/zinc/08/07/10/852080710.db2.gz PLSOKUSFQAHVEU-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982518 852685620 /nfs/dbraw/zinc/68/56/20/852685620.db2.gz MSSYDMTVISCYEY-IAGOWNOFSA-N 2 2 351.491 0.310 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982518 852685623 /nfs/dbraw/zinc/68/56/23/852685623.db2.gz MSSYDMTVISCYEY-IAGOWNOFSA-N 2 2 351.491 0.310 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001261311084 858513954 /nfs/dbraw/zinc/51/39/54/858513954.db2.gz HHUDBQXDLYLWLT-UHFFFAOYSA-N 2 2 351.495 0.479 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001261311084 858513957 /nfs/dbraw/zinc/51/39/57/858513957.db2.gz HHUDBQXDLYLWLT-UHFFFAOYSA-N 2 2 351.495 0.479 20 30 FCEDLP C[NH+]1CCN(c2ncc(CN(CCC#N)CC[NH+]3CCOCC3)cn2)CC1 ZINC000154799936 529778392 /nfs/dbraw/zinc/77/83/92/529778392.db2.gz KAZWGHQKZNPLJN-UHFFFAOYSA-N 2 2 373.505 0.276 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423587193 247062980 /nfs/dbraw/zinc/06/29/80/247062980.db2.gz CHPIDZQJIHERHF-GOSISDBHSA-N 2 2 369.469 0.542 20 30 FCEDLP CN(C)C(=[NH+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)C ZINC000104170877 229161732 /nfs/dbraw/zinc/16/17/32/229161732.db2.gz YGJHRNSHGNTVSQ-UHFFFAOYSA-N 2 2 368.507 0.013 20 30 FCEDLP COc1cccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000264134568 533716517 /nfs/dbraw/zinc/71/65/17/533716517.db2.gz UWEWFQNYQGMTLY-GOSISDBHSA-N 3 2 363.506 0.925 20 30 FCEDLP COCCn1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000328737111 488933895 /nfs/dbraw/zinc/93/38/95/488933895.db2.gz KBWINYWRTLARTN-UHFFFAOYSA-N 2 2 364.494 1.414 20 30 FCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269680578 488512401 /nfs/dbraw/zinc/51/24/01/488512401.db2.gz FLDNPQGXNVIUIQ-OLZOCXBDSA-N 2 2 374.532 0.271 20 30 FCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269680578 488512403 /nfs/dbraw/zinc/51/24/03/488512403.db2.gz FLDNPQGXNVIUIQ-OLZOCXBDSA-N 2 2 374.532 0.271 20 30 FCEDLP C#CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000274135747 488685778 /nfs/dbraw/zinc/68/57/78/488685778.db2.gz JDKUGDAGZSMHGL-UHFFFAOYSA-N 2 2 353.430 0.110 20 30 FCEDLP C#CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000274135747 488685781 /nfs/dbraw/zinc/68/57/81/488685781.db2.gz JDKUGDAGZSMHGL-UHFFFAOYSA-N 2 2 353.430 0.110 20 30 FCEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000329254697 488985950 /nfs/dbraw/zinc/98/59/50/488985950.db2.gz ZYGHJUXXNAVUGG-KZNAEPCWSA-N 2 2 367.538 0.579 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@@H]21 ZINC000329654882 489023910 /nfs/dbraw/zinc/02/39/10/489023910.db2.gz LVLHZZCPNZVCOF-XMTFNYHQSA-N 2 2 366.506 0.683 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@@H]21 ZINC000329654882 489023913 /nfs/dbraw/zinc/02/39/13/489023913.db2.gz LVLHZZCPNZVCOF-XMTFNYHQSA-N 2 2 366.506 0.683 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000329796315 489036369 /nfs/dbraw/zinc/03/63/69/489036369.db2.gz DRJTWHFIXYDUOC-ZIAGYGMSSA-N 2 2 372.477 0.882 20 30 FCEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000329796315 489036370 /nfs/dbraw/zinc/03/63/70/489036370.db2.gz DRJTWHFIXYDUOC-ZIAGYGMSSA-N 2 2 372.477 0.882 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000329961835 489055327 /nfs/dbraw/zinc/05/53/27/489055327.db2.gz SJZSROIOELOVLB-QZTJIDSGSA-N 2 2 359.474 0.975 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000329961835 489055328 /nfs/dbraw/zinc/05/53/28/489055328.db2.gz SJZSROIOELOVLB-QZTJIDSGSA-N 2 2 359.474 0.975 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289365378 489061951 /nfs/dbraw/zinc/06/19/51/489061951.db2.gz ASISFCNNKQVAQV-UHFFFAOYSA-N 2 2 351.476 0.600 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289365378 489061953 /nfs/dbraw/zinc/06/19/53/489061953.db2.gz ASISFCNNKQVAQV-UHFFFAOYSA-N 2 2 351.476 0.600 20 30 FCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330173172 489076023 /nfs/dbraw/zinc/07/60/23/489076023.db2.gz HCLGBNDFSZHAQK-BRWVUGGUSA-N 2 2 353.511 0.114 20 30 FCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330173172 489076026 /nfs/dbraw/zinc/07/60/26/489076026.db2.gz HCLGBNDFSZHAQK-BRWVUGGUSA-N 2 2 353.511 0.114 20 30 FCEDLP CC(C)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000330180642 489077048 /nfs/dbraw/zinc/07/70/48/489077048.db2.gz NLZCYCMSHVZAGU-IAGOWNOFSA-N 2 2 368.522 0.979 20 30 FCEDLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330540473 489113942 /nfs/dbraw/zinc/11/39/42/489113942.db2.gz VWLLKFPADUGTLQ-CVEARBPZSA-N 2 2 353.511 0.630 20 30 FCEDLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330540473 489113943 /nfs/dbraw/zinc/11/39/43/489113943.db2.gz VWLLKFPADUGTLQ-CVEARBPZSA-N 2 2 353.511 0.630 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)cc1 ZINC000418287206 489688586 /nfs/dbraw/zinc/68/85/86/489688586.db2.gz JOACPRNBDOPJQZ-UHFFFAOYSA-N 2 2 370.501 0.681 20 30 FCEDLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420116305 489918100 /nfs/dbraw/zinc/91/81/00/489918100.db2.gz GCPRTGDDYDMZQY-GOSISDBHSA-N 2 2 371.485 0.836 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438328902 490034008 /nfs/dbraw/zinc/03/40/08/490034008.db2.gz UUZVSHYRRXWFKY-UHFFFAOYSA-N 2 2 362.478 0.987 20 30 FCEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000444588016 490095886 /nfs/dbraw/zinc/09/58/86/490095886.db2.gz CUOONHJHOQUGJK-UHFFFAOYSA-N 2 2 371.551 0.816 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423011894 490517162 /nfs/dbraw/zinc/51/71/62/490517162.db2.gz JOUGUMXTDHHBPM-HZPDHXFCSA-N 2 2 369.469 0.411 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)CC1 ZINC000564907891 491335491 /nfs/dbraw/zinc/33/54/91/491335491.db2.gz HYVZDNOVEMUUSC-MRXNPFEDSA-N 2 2 371.551 0.815 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)CC1 ZINC000564907891 491335493 /nfs/dbraw/zinc/33/54/93/491335493.db2.gz HYVZDNOVEMUUSC-MRXNPFEDSA-N 2 2 371.551 0.815 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000528371524 490791694 /nfs/dbraw/zinc/79/16/94/490791694.db2.gz KMEQNSWKDCLVGP-GOSISDBHSA-N 2 2 372.469 0.538 20 30 FCEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C[NH3+])C1 ZINC000518345394 490936834 /nfs/dbraw/zinc/93/68/34/490936834.db2.gz FKJIQXIWGWPSRK-CGZBRXJRSA-N 2 2 372.473 0.928 20 30 FCEDLP C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C[NH3+])C1 ZINC000518345394 490936836 /nfs/dbraw/zinc/93/68/36/490936836.db2.gz FKJIQXIWGWPSRK-CGZBRXJRSA-N 2 2 372.473 0.928 20 30 FCEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](CC)CC#N)CC1 ZINC000568289786 491567587 /nfs/dbraw/zinc/56/75/87/491567587.db2.gz PNWZKEQTHSFCPU-HZPDHXFCSA-N 2 2 362.478 0.221 20 30 FCEDLP CN(c1cc(C#N)ncn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578207528 491672222 /nfs/dbraw/zinc/67/22/22/491672222.db2.gz AQXULCWWIARVHD-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000580435393 491731076 /nfs/dbraw/zinc/73/10/76/491731076.db2.gz XPLINXJEOMGLEG-ROUUACIJSA-N 2 2 363.502 0.999 20 30 FCEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(OC)c1 ZINC000580435393 491731078 /nfs/dbraw/zinc/73/10/78/491731078.db2.gz XPLINXJEOMGLEG-ROUUACIJSA-N 2 2 363.502 0.999 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1 ZINC000589416063 491761570 /nfs/dbraw/zinc/76/15/70/491761570.db2.gz HSYBTEQMWAWPMO-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000610259336 492240149 /nfs/dbraw/zinc/24/01/49/492240149.db2.gz NSKDZKQQCXYZRT-INIZCTEOSA-N 2 2 370.457 0.154 20 30 FCEDLP N#CCCN1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000611174247 492280307 /nfs/dbraw/zinc/28/03/07/492280307.db2.gz BSSAHFUXYZNPEM-UHFFFAOYSA-N 2 2 355.486 0.862 20 30 FCEDLP N#CCCN1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000611175005 492280433 /nfs/dbraw/zinc/28/04/33/492280433.db2.gz UUQJUOLJBUEHAT-UHFFFAOYSA-N 2 2 356.474 0.652 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000262754176 526388938 /nfs/dbraw/zinc/38/89/38/526388938.db2.gz CSKHXYGUABUDDW-CYBMUJFWSA-N 2 2 373.509 0.881 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262381730 527385445 /nfs/dbraw/zinc/38/54/45/527385445.db2.gz KMWVEUCYGOVASM-IJEWVQPXSA-N 2 2 356.536 0.847 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262381730 527385450 /nfs/dbraw/zinc/38/54/50/527385450.db2.gz KMWVEUCYGOVASM-IJEWVQPXSA-N 2 2 356.536 0.847 20 30 FCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC000960523120 674677786 /nfs/dbraw/zinc/67/77/86/674677786.db2.gz FTCRHCVMNYUXJT-UFRBAHOGSA-N 2 2 360.483 0.885 20 30 FCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC000960523120 674677788 /nfs/dbraw/zinc/67/77/88/674677788.db2.gz FTCRHCVMNYUXJT-UFRBAHOGSA-N 2 2 360.483 0.885 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC000960523120 674677791 /nfs/dbraw/zinc/67/77/91/674677791.db2.gz FTCRHCVMNYUXJT-UFRBAHOGSA-N 2 2 360.483 0.885 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC000960523120 674677794 /nfs/dbraw/zinc/67/77/94/674677794.db2.gz FTCRHCVMNYUXJT-UFRBAHOGSA-N 2 2 360.483 0.885 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089545 673425374 /nfs/dbraw/zinc/42/53/74/673425374.db2.gz SFJTUSXWZOLTRZ-AEFFLSMTSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089545 673425378 /nfs/dbraw/zinc/42/53/78/673425378.db2.gz SFJTUSXWZOLTRZ-AEFFLSMTSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367159 1170649600 /nfs/dbraw/zinc/64/96/00/1170649600.db2.gz JJEGQLPSPMKGOS-IXDOHACOSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC001088630877 1192729024 /nfs/dbraw/zinc/72/90/24/1192729024.db2.gz FTHRFWKPPVJFRI-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC001088630877 1192729030 /nfs/dbraw/zinc/72/90/30/1192729030.db2.gz FTHRFWKPPVJFRI-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC001088630877 1192729035 /nfs/dbraw/zinc/72/90/35/1192729035.db2.gz FTHRFWKPPVJFRI-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC001088630877 1192729040 /nfs/dbraw/zinc/72/90/40/1192729040.db2.gz FTHRFWKPPVJFRI-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329452148 1179387363 /nfs/dbraw/zinc/38/73/63/1179387363.db2.gz NFJRSTDDJBTORC-QGZVFWFLSA-N 2 2 367.538 0.771 20 30 FCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329452148 1179387373 /nfs/dbraw/zinc/38/73/73/1179387373.db2.gz NFJRSTDDJBTORC-QGZVFWFLSA-N 2 2 367.538 0.771 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104699240 1182379561 /nfs/dbraw/zinc/37/95/61/1182379561.db2.gz JIWQLXXNKKVOBV-KLHDSHLOSA-N 2 2 372.473 0.238 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775763 1182913698 /nfs/dbraw/zinc/91/36/98/1182913698.db2.gz MUTZEZAKNVKRQW-ARFHVFGLSA-N 2 2 361.490 0.965 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775763 1182913701 /nfs/dbraw/zinc/91/37/01/1182913701.db2.gz MUTZEZAKNVKRQW-ARFHVFGLSA-N 2 2 361.490 0.965 20 30 FCEDLP C#CC(=O)N1C[C@@H](C(=O)N(C)CC[NH+](CC)CC)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269847701 1187894882 /nfs/dbraw/zinc/89/48/82/1187894882.db2.gz IDDAQAQEJFAXHQ-HZPDHXFCSA-N 2 2 359.474 0.396 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C)CC[C@@H]2C1 ZINC001087998247 1190175121 /nfs/dbraw/zinc/17/51/21/1190175121.db2.gz YTWWVEMYTFSWFQ-SQNIBIBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C)CC[C@@H]2C1 ZINC001087998247 1190175124 /nfs/dbraw/zinc/17/51/24/1190175124.db2.gz YTWWVEMYTFSWFQ-SQNIBIBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3C)CC[C@@H]2C1 ZINC001087998247 1190175127 /nfs/dbraw/zinc/17/51/27/1190175127.db2.gz YTWWVEMYTFSWFQ-SQNIBIBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3C)CC[C@@H]2C1 ZINC001087998247 1190175130 /nfs/dbraw/zinc/17/51/30/1190175130.db2.gz YTWWVEMYTFSWFQ-SQNIBIBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866748 1190718366 /nfs/dbraw/zinc/71/83/66/1190718366.db2.gz QKHRBTCPNXJHIB-BHYGNILZSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866748 1190718370 /nfs/dbraw/zinc/71/83/70/1190718370.db2.gz QKHRBTCPNXJHIB-BHYGNILZSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866748 1190718374 /nfs/dbraw/zinc/71/83/74/1190718374.db2.gz QKHRBTCPNXJHIB-BHYGNILZSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866748 1190718378 /nfs/dbraw/zinc/71/83/78/1190718378.db2.gz QKHRBTCPNXJHIB-BHYGNILZSA-N 2 2 357.458 0.662 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218287160 1224151799 /nfs/dbraw/zinc/15/17/99/1224151799.db2.gz WJZDPXKBGVWENQ-GJZGRUSLSA-N 2 2 361.398 0.294 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218327255 1224154384 /nfs/dbraw/zinc/15/43/84/1224154384.db2.gz PHJXVFPGJYPVSJ-SYAUCNOPSA-N 2 2 373.409 0.150 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001691764599 1193772112 /nfs/dbraw/zinc/77/21/12/1193772112.db2.gz COUXZMXYRCKCJV-AYBZRNKSSA-N 2 2 356.470 0.618 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001691764599 1193772115 /nfs/dbraw/zinc/77/21/15/1193772115.db2.gz COUXZMXYRCKCJV-AYBZRNKSSA-N 2 2 356.470 0.618 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472908 1193904320 /nfs/dbraw/zinc/90/43/20/1193904320.db2.gz WRNDHHGHEATVIU-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472908 1193904325 /nfs/dbraw/zinc/90/43/25/1193904325.db2.gz WRNDHHGHEATVIU-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472908 1193904330 /nfs/dbraw/zinc/90/43/30/1193904330.db2.gz WRNDHHGHEATVIU-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472908 1193904334 /nfs/dbraw/zinc/90/43/34/1193904334.db2.gz WRNDHHGHEATVIU-QVDUIBETSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472949 1193904692 /nfs/dbraw/zinc/90/46/92/1193904692.db2.gz YXRVWRCCWXTMKW-AXUOBQJMSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472949 1193904695 /nfs/dbraw/zinc/90/46/95/1193904695.db2.gz YXRVWRCCWXTMKW-AXUOBQJMSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472949 1193904699 /nfs/dbraw/zinc/90/46/99/1193904699.db2.gz YXRVWRCCWXTMKW-AXUOBQJMSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472949 1193904702 /nfs/dbraw/zinc/90/47/02/1193904702.db2.gz YXRVWRCCWXTMKW-AXUOBQJMSA-N 2 2 359.445 0.679 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600845 1224180326 /nfs/dbraw/zinc/18/03/26/1224180326.db2.gz QILPRKFWKWCCSG-DLBZAZTESA-N 2 2 364.490 0.050 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600845 1224180328 /nfs/dbraw/zinc/18/03/28/1224180328.db2.gz QILPRKFWKWCCSG-DLBZAZTESA-N 2 2 364.490 0.050 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)C1=O ZINC001076502002 1194527992 /nfs/dbraw/zinc/52/79/92/1194527992.db2.gz MQBXNHAYJSEZJP-BHYGNILZSA-N 2 2 357.458 0.580 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)C1=O ZINC001076502002 1194528000 /nfs/dbraw/zinc/52/80/00/1194528000.db2.gz MQBXNHAYJSEZJP-BHYGNILZSA-N 2 2 357.458 0.580 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)C1=O ZINC001076502003 1194528230 /nfs/dbraw/zinc/52/82/30/1194528230.db2.gz MQBXNHAYJSEZJP-USXIJHARSA-N 2 2 357.458 0.580 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)C1=O ZINC001076502003 1194528238 /nfs/dbraw/zinc/52/82/38/1194528238.db2.gz MQBXNHAYJSEZJP-USXIJHARSA-N 2 2 357.458 0.580 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001076604425 1194592509 /nfs/dbraw/zinc/59/25/09/1194592509.db2.gz FEGRVHLSSAFZRQ-FUHWJXTLSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001076604425 1194592510 /nfs/dbraw/zinc/59/25/10/1194592510.db2.gz FEGRVHLSSAFZRQ-FUHWJXTLSA-N 2 2 356.474 0.193 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C#N ZINC001077395068 1195492130 /nfs/dbraw/zinc/49/21/30/1195492130.db2.gz RPAONTWEXQHOAA-IAGOWNOFSA-N 2 2 369.425 0.433 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C#N ZINC001077395068 1195492136 /nfs/dbraw/zinc/49/21/36/1195492136.db2.gz RPAONTWEXQHOAA-IAGOWNOFSA-N 2 2 369.425 0.433 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380846 1200039966 /nfs/dbraw/zinc/03/99/66/1200039966.db2.gz FWTAPKYQTXJFHD-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380846 1200039975 /nfs/dbraw/zinc/03/99/75/1200039975.db2.gz FWTAPKYQTXJFHD-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380846 1200039982 /nfs/dbraw/zinc/03/99/82/1200039982.db2.gz FWTAPKYQTXJFHD-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380846 1200039992 /nfs/dbraw/zinc/03/99/92/1200039992.db2.gz FWTAPKYQTXJFHD-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638981 1200429234 /nfs/dbraw/zinc/42/92/34/1200429234.db2.gz OAYLWTZHACFWOD-LTIDMASMSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638981 1200429242 /nfs/dbraw/zinc/42/92/42/1200429242.db2.gz OAYLWTZHACFWOD-LTIDMASMSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638981 1200429252 /nfs/dbraw/zinc/42/92/52/1200429252.db2.gz OAYLWTZHACFWOD-LTIDMASMSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638981 1200429258 /nfs/dbraw/zinc/42/92/58/1200429258.db2.gz OAYLWTZHACFWOD-LTIDMASMSA-N 2 2 364.490 0.119 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724174 1200483629 /nfs/dbraw/zinc/48/36/29/1200483629.db2.gz FPJYLQUQVXUZHE-YVSFHVDLSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724174 1200483634 /nfs/dbraw/zinc/48/36/34/1200483634.db2.gz FPJYLQUQVXUZHE-YVSFHVDLSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724174 1200483637 /nfs/dbraw/zinc/48/36/37/1200483637.db2.gz FPJYLQUQVXUZHE-YVSFHVDLSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724174 1200483641 /nfs/dbraw/zinc/48/36/41/1200483641.db2.gz FPJYLQUQVXUZHE-YVSFHVDLSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858654 1200570818 /nfs/dbraw/zinc/57/08/18/1200570818.db2.gz BRKAEVIHKWJYEC-VUHPKUFZSA-N 2 2 362.518 0.824 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858654 1200570822 /nfs/dbraw/zinc/57/08/22/1200570822.db2.gz BRKAEVIHKWJYEC-VUHPKUFZSA-N 2 2 362.518 0.824 20 30 FCEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4[nH][nH]cc-4c(=O)n3)cc2)CC1 ZINC000771559208 1200607315 /nfs/dbraw/zinc/60/73/15/1200607315.db2.gz FVWOERYDNLLIES-UHFFFAOYSA-N 2 2 352.402 0.630 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053769 1200741077 /nfs/dbraw/zinc/74/10/77/1200741077.db2.gz WKZKDJDGBCQPLB-UBDQQSCGSA-N 2 2 371.485 0.861 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053769 1200741084 /nfs/dbraw/zinc/74/10/84/1200741084.db2.gz WKZKDJDGBCQPLB-UBDQQSCGSA-N 2 2 371.485 0.861 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590743 1200829750 /nfs/dbraw/zinc/82/97/50/1200829750.db2.gz OFRFVCHFGOQWCM-GJYPPUQNSA-N 2 2 359.474 0.792 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130220558 1201546074 /nfs/dbraw/zinc/54/60/74/1201546074.db2.gz DGVGQZPTBULSSW-ZNMIVQPWSA-N 2 2 362.478 0.247 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772674 1202787937 /nfs/dbraw/zinc/78/79/37/1202787937.db2.gz XGYFTLWFMZFFPJ-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001130772674 1202787941 /nfs/dbraw/zinc/78/79/41/1202787941.db2.gz XGYFTLWFMZFFPJ-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809437 1202802130 /nfs/dbraw/zinc/80/21/30/1202802130.db2.gz YIHMGIPQYXXRFX-SOUVJXGZSA-N 2 2 362.478 0.758 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809437 1202802131 /nfs/dbraw/zinc/80/21/31/1202802131.db2.gz YIHMGIPQYXXRFX-SOUVJXGZSA-N 2 2 362.478 0.758 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130820390 1202809198 /nfs/dbraw/zinc/80/91/98/1202809198.db2.gz VSSYDLRAHIHAGN-UONOGXRCSA-N 2 2 357.418 0.151 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130819683 1202809277 /nfs/dbraw/zinc/80/92/77/1202809277.db2.gz DKUBCEHDOGITSR-UONOGXRCSA-N 2 2 359.434 0.703 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131017699 1202843381 /nfs/dbraw/zinc/84/33/81/1202843381.db2.gz HCYMCPKFVFIWLQ-CGTJXYLNSA-N 2 2 366.469 0.787 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131076144 1202859845 /nfs/dbraw/zinc/85/98/45/1202859845.db2.gz GRVUVXIFCUYPCX-QBPKDAKJSA-N 2 2 366.469 0.865 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117546 1202864975 /nfs/dbraw/zinc/86/49/75/1202864975.db2.gz CSBOOHMOZQBFDE-IAGOWNOFSA-N 2 2 354.458 0.694 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985141 1204879776 /nfs/dbraw/zinc/87/97/76/1204879776.db2.gz VTAIVEJIIXJIGM-BHYGNILZSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001092299854 1205233275 /nfs/dbraw/zinc/23/32/75/1205233275.db2.gz JZOOEKCWKNZXCB-APWZRJJASA-N 2 2 357.458 0.695 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001092299854 1205233280 /nfs/dbraw/zinc/23/32/80/1205233280.db2.gz JZOOEKCWKNZXCB-APWZRJJASA-N 2 2 357.458 0.695 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001092314846 1205244645 /nfs/dbraw/zinc/24/46/45/1205244645.db2.gz VAGUAQAEGKALCW-HUUCEWRRSA-N 2 2 368.445 0.440 20 30 FCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375048 1205276800 /nfs/dbraw/zinc/27/68/00/1205276800.db2.gz HUVKFDWTXQNCFU-BZUAXINKSA-N 2 2 357.458 0.197 20 30 FCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375048 1205276803 /nfs/dbraw/zinc/27/68/03/1205276803.db2.gz HUVKFDWTXQNCFU-BZUAXINKSA-N 2 2 357.458 0.197 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)CC1 ZINC001093224350 1206063503 /nfs/dbraw/zinc/06/35/03/1206063503.db2.gz SBRHDWVAHLRHQD-RHSMWYFYSA-N 2 2 358.490 0.642 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)CC1 ZINC001093224350 1206063506 /nfs/dbraw/zinc/06/35/06/1206063506.db2.gz SBRHDWVAHLRHQD-RHSMWYFYSA-N 2 2 358.490 0.642 20 30 FCEDLP N#CCC1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001173331743 1206267857 /nfs/dbraw/zinc/26/78/57/1206267857.db2.gz GILOXPLUBRDMPO-LCSXWQTCSA-N 2 2 372.473 0.874 20 30 FCEDLP COC(=O)c1ccc(C(N)=NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220577284 1224945882 /nfs/dbraw/zinc/94/58/82/1224945882.db2.gz LFIJRWYLDZAHQQ-OAHLLOKOSA-N 2 2 374.441 0.158 20 30 FCEDLP COC(=O)c1ccc(C(N)=NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220577284 1224945888 /nfs/dbraw/zinc/94/58/88/1224945888.db2.gz LFIJRWYLDZAHQQ-OAHLLOKOSA-N 2 2 374.441 0.158 20 30 FCEDLP N#CC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643693 1224982741 /nfs/dbraw/zinc/98/27/41/1224982741.db2.gz OZYZHQRZWRNHCN-YLJYHZDGSA-N 3 2 353.470 0.612 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192978014 1207855597 /nfs/dbraw/zinc/85/55/97/1207855597.db2.gz NOYBHVJOLLJPOX-QXAKKESOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192978014 1207855602 /nfs/dbraw/zinc/85/56/02/1207855602.db2.gz NOYBHVJOLLJPOX-QXAKKESOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192978014 1207855603 /nfs/dbraw/zinc/85/56/03/1207855603.db2.gz NOYBHVJOLLJPOX-QXAKKESOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192978014 1207855606 /nfs/dbraw/zinc/85/56/06/1207855606.db2.gz NOYBHVJOLLJPOX-QXAKKESOSA-N 2 2 363.502 0.452 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007149 1207989416 /nfs/dbraw/zinc/98/94/16/1207989416.db2.gz YLFIDOYJHWEVPP-ARFHVFGLSA-N 2 2 366.506 0.103 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007149 1207989418 /nfs/dbraw/zinc/98/94/18/1207989418.db2.gz YLFIDOYJHWEVPP-ARFHVFGLSA-N 2 2 366.506 0.103 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185543 1208060071 /nfs/dbraw/zinc/06/00/71/1208060071.db2.gz YJQURIJEPNSZKB-RTBURBONSA-N 2 2 359.470 0.215 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185543 1208060074 /nfs/dbraw/zinc/06/00/74/1208060074.db2.gz YJQURIJEPNSZKB-RTBURBONSA-N 2 2 359.470 0.215 20 30 FCEDLP C#C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCO1 ZINC000775786527 1208193862 /nfs/dbraw/zinc/19/38/62/1208193862.db2.gz XVRXVHKKDSSSMW-ROUUACIJSA-N 2 2 363.502 0.908 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220986237 1225176200 /nfs/dbraw/zinc/17/62/00/1225176200.db2.gz XOBZFRBWBTWJRK-SXLOBPIMSA-N 2 2 371.481 0.168 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220986237 1225176202 /nfs/dbraw/zinc/17/62/02/1225176202.db2.gz XOBZFRBWBTWJRK-SXLOBPIMSA-N 2 2 371.481 0.168 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097114 1211879307 /nfs/dbraw/zinc/87/93/07/1211879307.db2.gz LJSDPIRSTDELJE-MLHJIOFPSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097114 1211879308 /nfs/dbraw/zinc/87/93/08/1211879308.db2.gz LJSDPIRSTDELJE-MLHJIOFPSA-N 2 2 360.502 0.722 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153659 1211902426 /nfs/dbraw/zinc/90/24/26/1211902426.db2.gz PBJXDOCNLFHDKL-HZMVEIRTSA-N 2 2 364.490 0.121 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153659 1211902430 /nfs/dbraw/zinc/90/24/30/1211902430.db2.gz PBJXDOCNLFHDKL-HZMVEIRTSA-N 2 2 364.490 0.121 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001111217202 1211931144 /nfs/dbraw/zinc/93/11/44/1211931144.db2.gz KWTAZKKQDDZLCY-ZACQAIPSSA-N 2 2 361.490 0.468 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001111217202 1211931149 /nfs/dbraw/zinc/93/11/49/1211931149.db2.gz KWTAZKKQDDZLCY-ZACQAIPSSA-N 2 2 361.490 0.468 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111261421 1211977796 /nfs/dbraw/zinc/97/77/96/1211977796.db2.gz QPTIFCABDSPFFM-QRVBRYPASA-N 2 2 372.513 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111261421 1211977805 /nfs/dbraw/zinc/97/78/05/1211977805.db2.gz QPTIFCABDSPFFM-QRVBRYPASA-N 2 2 372.513 0.579 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000949864986 1212475351 /nfs/dbraw/zinc/47/53/51/1212475351.db2.gz PCYMHWPYSLIXMG-CRAIPNDOSA-N 2 2 371.485 0.271 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615393 1225398155 /nfs/dbraw/zinc/39/81/55/1225398155.db2.gz GOGSZFLDVQSJOY-FGTMMUONSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615393 1225398160 /nfs/dbraw/zinc/39/81/60/1225398160.db2.gz GOGSZFLDVQSJOY-FGTMMUONSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615393 1225398164 /nfs/dbraw/zinc/39/81/64/1225398164.db2.gz GOGSZFLDVQSJOY-FGTMMUONSA-N 2 2 362.518 0.799 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615393 1225398169 /nfs/dbraw/zinc/39/81/69/1225398169.db2.gz GOGSZFLDVQSJOY-FGTMMUONSA-N 2 2 362.518 0.799 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415369 1213013564 /nfs/dbraw/zinc/01/35/64/1213013564.db2.gz RVXOEPVWHKQPBP-ZACQAIPSSA-N 2 2 361.490 0.614 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415369 1213013565 /nfs/dbraw/zinc/01/35/65/1213013565.db2.gz RVXOEPVWHKQPBP-ZACQAIPSSA-N 2 2 361.490 0.614 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000088253142 1213026462 /nfs/dbraw/zinc/02/64/62/1213026462.db2.gz XEUWOTHNZKOREF-OAHLLOKOSA-N 3 2 363.510 0.216 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910851 1225532389 /nfs/dbraw/zinc/53/23/89/1225532389.db2.gz YVUABODBWFIIJR-QZTJIDSGSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910851 1225532392 /nfs/dbraw/zinc/53/23/92/1225532392.db2.gz YVUABODBWFIIJR-QZTJIDSGSA-N 2 2 362.518 0.942 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013579 1225576042 /nfs/dbraw/zinc/57/60/42/1225576042.db2.gz GOKCAZLXCKYJAQ-BRWVUGGUSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013579 1225576046 /nfs/dbraw/zinc/57/60/46/1225576046.db2.gz GOKCAZLXCKYJAQ-BRWVUGGUSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013579 1225576051 /nfs/dbraw/zinc/57/60/51/1225576051.db2.gz GOKCAZLXCKYJAQ-BRWVUGGUSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013579 1225576054 /nfs/dbraw/zinc/57/60/54/1225576054.db2.gz GOKCAZLXCKYJAQ-BRWVUGGUSA-N 2 2 361.490 0.233 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050004 1225590498 /nfs/dbraw/zinc/59/04/98/1225590498.db2.gz QVUUYEVZJUILIY-LMMKCTJWSA-N 2 2 362.518 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050004 1225590503 /nfs/dbraw/zinc/59/05/03/1225590503.db2.gz QVUUYEVZJUILIY-LMMKCTJWSA-N 2 2 362.518 0.942 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCC)[C@H]2C1 ZINC001222913814 1225666165 /nfs/dbraw/zinc/66/61/65/1225666165.db2.gz XHOLFXPEJGUZLE-SQNIBIBYSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCC)[C@H]2C1 ZINC001222913814 1225666166 /nfs/dbraw/zinc/66/61/66/1225666166.db2.gz XHOLFXPEJGUZLE-SQNIBIBYSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCC)[C@H]2C1 ZINC001222913814 1225666168 /nfs/dbraw/zinc/66/61/68/1225666168.db2.gz XHOLFXPEJGUZLE-SQNIBIBYSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCC)[C@H]2C1 ZINC001222913814 1225666170 /nfs/dbraw/zinc/66/61/70/1225666170.db2.gz XHOLFXPEJGUZLE-SQNIBIBYSA-N 2 2 360.502 0.533 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962259 1216869097 /nfs/dbraw/zinc/86/90/97/1216869097.db2.gz MYZUJALHPZRSIT-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962259 1216869098 /nfs/dbraw/zinc/86/90/98/1216869098.db2.gz MYZUJALHPZRSIT-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025765 1216904758 /nfs/dbraw/zinc/90/47/58/1216904758.db2.gz IGRKKECABDNFMY-NXHRZFHOSA-N 2 2 367.457 0.410 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025765 1216904762 /nfs/dbraw/zinc/90/47/62/1216904762.db2.gz IGRKKECABDNFMY-NXHRZFHOSA-N 2 2 367.457 0.410 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223527572 1225714141 /nfs/dbraw/zinc/71/41/41/1225714141.db2.gz RPPIGAUBEYTKHK-KONPQCLYSA-N 2 2 371.485 0.749 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223527572 1225714143 /nfs/dbraw/zinc/71/41/43/1225714143.db2.gz RPPIGAUBEYTKHK-KONPQCLYSA-N 2 2 371.485 0.749 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916733 1225746252 /nfs/dbraw/zinc/74/62/52/1225746252.db2.gz NSKQFIIXXFXEDG-QAPCUYQASA-N 2 2 369.469 0.433 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916733 1225746256 /nfs/dbraw/zinc/74/62/56/1225746256.db2.gz NSKQFIIXXFXEDG-QAPCUYQASA-N 2 2 369.469 0.433 20 30 FCEDLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)c[nH+]1 ZINC001227019555 1225861207 /nfs/dbraw/zinc/86/12/07/1225861207.db2.gz RWILLVDLZHJKMB-HUUCEWRRSA-N 2 2 360.462 0.583 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070102280 1219178026 /nfs/dbraw/zinc/17/80/26/1219178026.db2.gz AFAKVZYIHQLNPV-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070102280 1219178028 /nfs/dbraw/zinc/17/80/28/1219178028.db2.gz AFAKVZYIHQLNPV-MSOLQXFVSA-N 2 2 352.442 0.628 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459615 1225875279 /nfs/dbraw/zinc/87/52/79/1225875279.db2.gz RRHDHJFLSKPQNL-HUUCEWRRSA-N 2 2 353.426 0.714 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070197917 1219287688 /nfs/dbraw/zinc/28/76/88/1219287688.db2.gz BAWCBJFQHBJAQW-CVEARBPZSA-N 2 2 353.430 0.028 20 30 FCEDLP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384661 1219408573 /nfs/dbraw/zinc/40/85/73/1219408573.db2.gz CCJKYMGJOVYMIX-APWZRJJASA-N 2 2 359.474 0.935 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cn(C)cn1 ZINC001070507743 1219444712 /nfs/dbraw/zinc/44/47/12/1219444712.db2.gz MOLPJHDKFSLYQI-WMLDXEAASA-N 2 2 358.446 0.854 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070710505 1219537327 /nfs/dbraw/zinc/53/73/27/1219537327.db2.gz DRFOOMRBKUIFLW-HUUCEWRRSA-N 2 2 353.430 0.602 20 30 FCEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685874 1219811024 /nfs/dbraw/zinc/81/10/24/1219811024.db2.gz SNKULLTYARMFMW-DJIMGWMZSA-N 2 2 362.478 0.436 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213924 1220230431 /nfs/dbraw/zinc/23/04/31/1220230431.db2.gz DYSQODVMKPTIRB-KHYOSLBOSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213924 1220230432 /nfs/dbraw/zinc/23/04/32/1220230432.db2.gz DYSQODVMKPTIRB-KHYOSLBOSA-N 2 2 359.474 0.813 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283188 1220266953 /nfs/dbraw/zinc/26/69/53/1220266953.db2.gz WZEJMGWQGQQKBZ-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283188 1220266954 /nfs/dbraw/zinc/26/69/54/1220266954.db2.gz WZEJMGWQGQQKBZ-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101987139 1220453600 /nfs/dbraw/zinc/45/36/00/1220453600.db2.gz ZQHCEBYVVBXGRU-HZPDHXFCSA-N 2 2 371.485 0.195 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101987139 1220453602 /nfs/dbraw/zinc/45/36/02/1220453602.db2.gz ZQHCEBYVVBXGRU-HZPDHXFCSA-N 2 2 371.485 0.195 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102466274 1220637077 /nfs/dbraw/zinc/63/70/77/1220637077.db2.gz LQMYBGARQDACAB-GDBMZVCRSA-N 2 2 360.462 0.296 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102466274 1220637079 /nfs/dbraw/zinc/63/70/79/1220637079.db2.gz LQMYBGARQDACAB-GDBMZVCRSA-N 2 2 360.462 0.296 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603058 1220725552 /nfs/dbraw/zinc/72/55/52/1220725552.db2.gz PBXKXUAHVDZLBW-SUMDDJOVSA-N 2 2 371.485 0.118 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603058 1220725555 /nfs/dbraw/zinc/72/55/55/1220725555.db2.gz PBXKXUAHVDZLBW-SUMDDJOVSA-N 2 2 371.485 0.118 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644685 1220927520 /nfs/dbraw/zinc/92/75/20/1220927520.db2.gz LMRSZTQSJHXUGM-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644685 1220927522 /nfs/dbraw/zinc/92/75/22/1220927522.db2.gz LMRSZTQSJHXUGM-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104136075 1221012142 /nfs/dbraw/zinc/01/21/42/1221012142.db2.gz JPHHJGILVKIKNB-OWCLPIDISA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885682 1221151589 /nfs/dbraw/zinc/15/15/89/1221151589.db2.gz YYQGZWMQMVPNOF-GJYPPUQNSA-N 2 2 357.458 0.554 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885682 1221151591 /nfs/dbraw/zinc/15/15/91/1221151591.db2.gz YYQGZWMQMVPNOF-GJYPPUQNSA-N 2 2 357.458 0.554 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111961086 1221186875 /nfs/dbraw/zinc/18/68/75/1221186875.db2.gz HNNBSGOXCYVPAM-FTRWYGJKSA-N 2 2 371.485 0.461 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111961086 1221186877 /nfs/dbraw/zinc/18/68/77/1221186877.db2.gz HNNBSGOXCYVPAM-FTRWYGJKSA-N 2 2 371.485 0.461 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962882 1221187465 /nfs/dbraw/zinc/18/74/65/1221187465.db2.gz VYUIETUCVCHABS-KXBFYZLASA-N 2 2 359.474 0.626 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962882 1221187468 /nfs/dbraw/zinc/18/74/68/1221187468.db2.gz VYUIETUCVCHABS-KXBFYZLASA-N 2 2 359.474 0.626 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001117276105 1221501653 /nfs/dbraw/zinc/50/16/53/1221501653.db2.gz LQVIVIIFNNUXDD-INIZCTEOSA-N 2 2 373.501 0.968 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC001119471278 1221920853 /nfs/dbraw/zinc/92/08/53/1221920853.db2.gz FRAWSENAUQFEME-KRWDZBQOSA-N 2 2 356.470 0.943 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC001119471278 1221920862 /nfs/dbraw/zinc/92/08/62/1221920862.db2.gz FRAWSENAUQFEME-KRWDZBQOSA-N 2 2 356.470 0.943 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001159921438 1223139976 /nfs/dbraw/zinc/13/99/76/1223139976.db2.gz UOGLGBNKHHLEDO-HNNXBMFYSA-N 2 2 362.478 0.867 20 30 FCEDLP C=CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])CC1 ZINC001160437004 1223159633 /nfs/dbraw/zinc/15/96/33/1223159633.db2.gz PVJQMFXEZTXRFN-SFHVURJKSA-N 2 2 369.469 0.484 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207583594 1223458850 /nfs/dbraw/zinc/45/88/50/1223458850.db2.gz YFBAFXRPGSRMMN-ZACQAIPSSA-N 2 2 363.506 0.228 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207583594 1223458853 /nfs/dbraw/zinc/45/88/53/1223458853.db2.gz YFBAFXRPGSRMMN-ZACQAIPSSA-N 2 2 363.506 0.228 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207583594 1223458855 /nfs/dbraw/zinc/45/88/55/1223458855.db2.gz YFBAFXRPGSRMMN-ZACQAIPSSA-N 2 2 363.506 0.228 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207583594 1223458857 /nfs/dbraw/zinc/45/88/57/1223458857.db2.gz YFBAFXRPGSRMMN-ZACQAIPSSA-N 2 2 363.506 0.228 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868358 1223488795 /nfs/dbraw/zinc/48/87/95/1223488795.db2.gz SZCXZXNQWHQTKF-CKEIUWERSA-N 2 2 353.426 0.522 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868358 1223488797 /nfs/dbraw/zinc/48/87/97/1223488797.db2.gz SZCXZXNQWHQTKF-CKEIUWERSA-N 2 2 353.426 0.522 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769649 1223648926 /nfs/dbraw/zinc/64/89/26/1223648926.db2.gz RBFRSTMYKIBDIT-CRAIPNDOSA-N 2 2 353.426 0.967 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769649 1223648927 /nfs/dbraw/zinc/64/89/27/1223648927.db2.gz RBFRSTMYKIBDIT-CRAIPNDOSA-N 2 2 353.426 0.967 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337710 1223684396 /nfs/dbraw/zinc/68/43/96/1223684396.db2.gz UHFYXKZSKQKLOD-IJEWVQPXSA-N 2 2 359.474 0.888 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337710 1223684399 /nfs/dbraw/zinc/68/43/99/1223684399.db2.gz UHFYXKZSKQKLOD-IJEWVQPXSA-N 2 2 359.474 0.888 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367166 1223738184 /nfs/dbraw/zinc/73/81/84/1223738184.db2.gz ORQHTSUEVDXQLB-NUJGCVRESA-N 2 2 363.506 0.573 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367166 1223738187 /nfs/dbraw/zinc/73/81/87/1223738187.db2.gz ORQHTSUEVDXQLB-NUJGCVRESA-N 2 2 363.506 0.573 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916816 1223871659 /nfs/dbraw/zinc/87/16/59/1223871659.db2.gz LLNLQPGCBNHGPW-GVDBMIGSSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916816 1223871661 /nfs/dbraw/zinc/87/16/61/1223871661.db2.gz LLNLQPGCBNHGPW-GVDBMIGSSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214630473 1223927748 /nfs/dbraw/zinc/92/77/48/1223927748.db2.gz YPESUXPXLZMYBD-CZUORRHYSA-N 2 2 355.442 0.995 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226652 1223983959 /nfs/dbraw/zinc/98/39/59/1223983959.db2.gz NYYWBKFKJVGZBE-QRQLOZEOSA-N 2 2 363.502 0.574 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001215226652 1223983962 /nfs/dbraw/zinc/98/39/62/1223983962.db2.gz NYYWBKFKJVGZBE-QRQLOZEOSA-N 2 2 363.502 0.574 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216366007 1224046593 /nfs/dbraw/zinc/04/65/93/1224046593.db2.gz GQPWDGOYKDDEGR-CRAIPNDOSA-N 2 2 353.426 0.967 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000891607772 1245458554 /nfs/dbraw/zinc/45/85/54/1245458554.db2.gz VNCRETGXAMULAF-AWEZNQCLSA-N 2 2 352.398 0.420 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000891607772 1245458557 /nfs/dbraw/zinc/45/85/57/1245458557.db2.gz VNCRETGXAMULAF-AWEZNQCLSA-N 2 2 352.398 0.420 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332542 1245708733 /nfs/dbraw/zinc/70/87/33/1245708733.db2.gz KQAZUGOGOKZCHR-SJORKVTESA-N 2 2 358.442 0.194 20 30 FCEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332542 1245708740 /nfs/dbraw/zinc/70/87/40/1245708740.db2.gz KQAZUGOGOKZCHR-SJORKVTESA-N 2 2 358.442 0.194 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC000997028279 1251473770 /nfs/dbraw/zinc/47/37/70/1251473770.db2.gz UVKGPCVLSXTHMP-BRWVUGGUSA-N 2 2 371.485 0.891 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2OC)CC1 ZINC001082384154 1256735159 /nfs/dbraw/zinc/73/51/59/1256735159.db2.gz GDZAJLOKEGODGJ-QZTJIDSGSA-N 2 2 359.474 0.081 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2OC)CC1 ZINC001082384154 1256735164 /nfs/dbraw/zinc/73/51/64/1256735164.db2.gz GDZAJLOKEGODGJ-QZTJIDSGSA-N 2 2 359.474 0.081 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001082568104 1256872860 /nfs/dbraw/zinc/87/28/60/1256872860.db2.gz XXQKDJFRICZYOG-OAGGEKHMSA-N 2 2 358.490 0.412 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001082568104 1256872875 /nfs/dbraw/zinc/87/28/75/1256872875.db2.gz XXQKDJFRICZYOG-OAGGEKHMSA-N 2 2 358.490 0.412 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1C#N ZINC001083958504 1257747898 /nfs/dbraw/zinc/74/78/98/1257747898.db2.gz JPDNIKXPGGMBAH-SJORKVTESA-N 2 2 370.453 0.324 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1C#N ZINC001083958504 1257747901 /nfs/dbraw/zinc/74/79/01/1257747901.db2.gz JPDNIKXPGGMBAH-SJORKVTESA-N 2 2 370.453 0.324 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083961320 1257751836 /nfs/dbraw/zinc/75/18/36/1257751836.db2.gz MDQPURLIVWCMFF-MJGOQNOKSA-N 2 2 365.437 0.994 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083961320 1257751841 /nfs/dbraw/zinc/75/18/41/1257751841.db2.gz MDQPURLIVWCMFF-MJGOQNOKSA-N 2 2 365.437 0.994 20 30 FCEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084115969 1257935581 /nfs/dbraw/zinc/93/55/81/1257935581.db2.gz YIWWOIKNDRLZGN-SJORKVTESA-N 2 2 355.398 0.147 20 30 FCEDLP N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084115969 1257935583 /nfs/dbraw/zinc/93/55/83/1257935583.db2.gz YIWWOIKNDRLZGN-SJORKVTESA-N 2 2 355.398 0.147 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001085044055 1258542054 /nfs/dbraw/zinc/54/20/54/1258542054.db2.gz XHRSPUWDBUOFGE-UAGQMJEPSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001085044055 1258542056 /nfs/dbraw/zinc/54/20/56/1258542056.db2.gz XHRSPUWDBUOFGE-UAGQMJEPSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001085063387 1258558511 /nfs/dbraw/zinc/55/85/11/1258558511.db2.gz NZJUXLZMCIUSJK-XHSDSOJGSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001085063387 1258558517 /nfs/dbraw/zinc/55/85/17/1258558517.db2.gz NZJUXLZMCIUSJK-XHSDSOJGSA-N 2 2 357.458 0.662 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219709 1258740239 /nfs/dbraw/zinc/74/02/39/1258740239.db2.gz RFGDMSDTEYGVAC-IKGGRYGDSA-N 2 2 357.458 0.450 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219709 1258740243 /nfs/dbraw/zinc/74/02/43/1258740243.db2.gz RFGDMSDTEYGVAC-IKGGRYGDSA-N 2 2 357.458 0.450 20 30 FCEDLP C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001128111829 1259193241 /nfs/dbraw/zinc/19/32/41/1259193241.db2.gz FQIRCGRPCLPYHU-BPQIPLTHSA-N 2 2 371.485 0.218 20 30 FCEDLP C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001128111829 1259193244 /nfs/dbraw/zinc/19/32/44/1259193244.db2.gz FQIRCGRPCLPYHU-BPQIPLTHSA-N 2 2 371.485 0.218 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251211 1259376837 /nfs/dbraw/zinc/37/68/37/1259376837.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 2 2 362.478 0.247 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251211 1259376844 /nfs/dbraw/zinc/37/68/44/1259376844.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 2 2 362.478 0.247 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212419861 1259498842 /nfs/dbraw/zinc/49/88/42/1259498842.db2.gz HMAGMCNOYITEST-CEXWTWQISA-N 2 2 365.518 0.962 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212419861 1259498847 /nfs/dbraw/zinc/49/88/47/1259498847.db2.gz HMAGMCNOYITEST-CEXWTWQISA-N 2 2 365.518 0.962 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1OC ZINC001212419861 1259498852 /nfs/dbraw/zinc/49/88/52/1259498852.db2.gz HMAGMCNOYITEST-CEXWTWQISA-N 2 2 365.518 0.962 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1OC ZINC001212419861 1259498859 /nfs/dbraw/zinc/49/88/59/1259498859.db2.gz HMAGMCNOYITEST-CEXWTWQISA-N 2 2 365.518 0.962 20 30 FCEDLP C#CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001251843363 1259765441 /nfs/dbraw/zinc/76/54/41/1259765441.db2.gz JNJMKSQGLDRVBU-KRWDZBQOSA-N 2 2 362.474 0.302 20 30 FCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001251843363 1259765447 /nfs/dbraw/zinc/76/54/47/1259765447.db2.gz JNJMKSQGLDRVBU-KRWDZBQOSA-N 2 2 362.474 0.302 20 30 FCEDLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550182 1261736941 /nfs/dbraw/zinc/73/69/41/1261736941.db2.gz ZBXBTTDWPKUPDQ-XLIONFOSSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550182 1261736944 /nfs/dbraw/zinc/73/69/44/1261736944.db2.gz ZBXBTTDWPKUPDQ-XLIONFOSSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550182 1261736952 /nfs/dbraw/zinc/73/69/52/1261736952.db2.gz ZBXBTTDWPKUPDQ-XLIONFOSSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550182 1261736957 /nfs/dbraw/zinc/73/69/57/1261736957.db2.gz ZBXBTTDWPKUPDQ-XLIONFOSSA-N 2 2 367.497 0.981 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC001322783090 1264264421 /nfs/dbraw/zinc/26/44/21/1264264421.db2.gz VOPXQRIECYBMLW-HNAYVOBHSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC001322783090 1264264428 /nfs/dbraw/zinc/26/44/28/1264264428.db2.gz VOPXQRIECYBMLW-HNAYVOBHSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)CC2)CC1 ZINC001341149516 1268808326 /nfs/dbraw/zinc/80/83/26/1268808326.db2.gz WZIKXXMKTOBUAJ-GOSISDBHSA-N 2 2 365.453 0.125 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001574706238 1271496924 /nfs/dbraw/zinc/49/69/24/1271496924.db2.gz AFHPYBCFEPOZSP-KZNAEPCWSA-N 2 2 372.517 0.925 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001574707482 1271498304 /nfs/dbraw/zinc/49/83/04/1271498304.db2.gz TTYQWXTYTUGIIN-SJORKVTESA-N 2 2 358.490 0.537 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(Nc3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)CC1 ZINC001579349385 1277205232 /nfs/dbraw/zinc/20/52/32/1277205232.db2.gz NCEHCYWILXLXGB-UHFFFAOYSA-N 2 2 368.449 0.499 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001691982259 1289356644 /nfs/dbraw/zinc/35/66/44/1289356644.db2.gz KUURIHLJHPMDCS-DLBZAZTESA-N 2 2 358.446 0.403 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217433 837635570 /nfs/dbraw/zinc/63/55/70/837635570.db2.gz DXZFXRUKGQTRKB-APIJFGDWSA-N 2 2 368.869 0.091 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217433 837635572 /nfs/dbraw/zinc/63/55/72/837635572.db2.gz DXZFXRUKGQTRKB-APIJFGDWSA-N 2 2 368.869 0.091 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106460978 845177864 /nfs/dbraw/zinc/17/78/64/845177864.db2.gz DDZVWCYCJSBHCA-TVFCKZIOSA-N 2 2 351.491 0.736 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616337 845929854 /nfs/dbraw/zinc/92/98/54/845929854.db2.gz CMTOHDGNMXWHEN-FPCVCCKLSA-N 2 2 352.454 0.137 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616337 845929860 /nfs/dbraw/zinc/92/98/60/845929860.db2.gz CMTOHDGNMXWHEN-FPCVCCKLSA-N 2 2 352.454 0.137 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217389 846472289 /nfs/dbraw/zinc/47/22/89/846472289.db2.gz KFVRRLKWKCQDHV-VXGBXAGGSA-N 2 2 359.352 0.164 20 30 FCEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001113133955 846541859 /nfs/dbraw/zinc/54/18/59/846541859.db2.gz KEPJHLRPYLAYLE-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCC#N)CC2 ZINC001276949594 861700135 /nfs/dbraw/zinc/70/01/35/861700135.db2.gz UQMKJJUVZUFTSW-OAHLLOKOSA-N 2 2 350.463 0.565 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC001119384677 847830121 /nfs/dbraw/zinc/83/01/21/847830121.db2.gz WODPJPXQWGUVPI-INIZCTEOSA-N 2 2 352.479 0.073 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC001119384677 847830126 /nfs/dbraw/zinc/83/01/26/847830126.db2.gz WODPJPXQWGUVPI-INIZCTEOSA-N 2 2 352.479 0.073 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O ZINC001193850536 852498290 /nfs/dbraw/zinc/49/82/90/852498290.db2.gz ZBOVUVHQWVJYTL-FGTMMUONSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1O ZINC001193850536 852498296 /nfs/dbraw/zinc/49/82/96/852498296.db2.gz ZBOVUVHQWVJYTL-FGTMMUONSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1O ZINC001193850536 852498302 /nfs/dbraw/zinc/49/83/02/852498302.db2.gz ZBOVUVHQWVJYTL-FGTMMUONSA-N 2 2 351.491 0.308 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1O ZINC001193850536 852498305 /nfs/dbraw/zinc/49/83/05/852498305.db2.gz ZBOVUVHQWVJYTL-FGTMMUONSA-N 2 2 351.491 0.308 20 30 FCEDLP C=CCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001200288816 853493894 /nfs/dbraw/zinc/49/38/94/853493894.db2.gz QRXMAYLTNGKEHU-UHFFFAOYSA-N 2 2 353.536 0.217 20 30 FCEDLP C=CCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001200288816 853493895 /nfs/dbraw/zinc/49/38/95/853493895.db2.gz QRXMAYLTNGKEHU-UHFFFAOYSA-N 2 2 353.536 0.217 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747405 854748925 /nfs/dbraw/zinc/74/89/25/854748925.db2.gz IKJBUVHZKYNPQX-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747405 854748927 /nfs/dbraw/zinc/74/89/27/854748927.db2.gz IKJBUVHZKYNPQX-BZUAXINKSA-N 2 2 354.495 0.224 20 30 FCEDLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624381 855452883 /nfs/dbraw/zinc/45/28/83/855452883.db2.gz ORGJLDACJNNWDV-FGTMMUONSA-N 2 2 351.491 0.668 20 30 FCEDLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624381 855452886 /nfs/dbraw/zinc/45/28/86/855452886.db2.gz ORGJLDACJNNWDV-FGTMMUONSA-N 2 2 351.491 0.668 20 30 FCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235455804 857424054 /nfs/dbraw/zinc/42/40/54/857424054.db2.gz YZJRPTVHJQQQOF-LPHOPBHVSA-N 2 2 350.507 0.894 20 30 FCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235455804 857424057 /nfs/dbraw/zinc/42/40/57/857424057.db2.gz YZJRPTVHJQQQOF-LPHOPBHVSA-N 2 2 350.507 0.894 20 30 FCEDLP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246313815 857574363 /nfs/dbraw/zinc/57/43/63/857574363.db2.gz UEIZSDMELVXUOI-KKUMJFAQSA-N 2 2 355.479 0.875 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000264926133 529833041 /nfs/dbraw/zinc/83/30/41/529833041.db2.gz LZQUORFHCHYPSB-CQSZACIVSA-N 2 2 368.485 0.892 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000264926133 529833042 /nfs/dbraw/zinc/83/30/42/529833042.db2.gz LZQUORFHCHYPSB-CQSZACIVSA-N 2 2 368.485 0.892 20 30 FCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000424142903 247172401 /nfs/dbraw/zinc/17/24/01/247172401.db2.gz IWXJCAXHSDHZPU-SJLPKXTDSA-N 2 2 360.458 0.592 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568480 488331908 /nfs/dbraw/zinc/33/19/08/488331908.db2.gz DDXQPEHNGWBGAO-MRXNPFEDSA-N 2 2 350.507 0.943 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000112904276 488536283 /nfs/dbraw/zinc/53/62/83/488536283.db2.gz PILATVYZCGUEJI-HXUWFJFHSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000112904276 488536284 /nfs/dbraw/zinc/53/62/84/488536284.db2.gz PILATVYZCGUEJI-HXUWFJFHSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC000112904276 488536286 /nfs/dbraw/zinc/53/62/86/488536286.db2.gz PILATVYZCGUEJI-HXUWFJFHSA-N 2 2 370.497 0.963 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC000112904276 488536287 /nfs/dbraw/zinc/53/62/87/488536287.db2.gz PILATVYZCGUEJI-HXUWFJFHSA-N 2 2 370.497 0.963 20 30 FCEDLP C[NH+](C)CCn1c2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2oc1=O ZINC000563004267 491207284 /nfs/dbraw/zinc/20/72/84/491207284.db2.gz DFGYJTUFKBVLDP-OAHLLOKOSA-N 2 2 361.446 0.774 20 30 FCEDLP C[NH+](C)CCn1c2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2oc1=O ZINC000563004267 491207286 /nfs/dbraw/zinc/20/72/86/491207286.db2.gz DFGYJTUFKBVLDP-OAHLLOKOSA-N 2 2 361.446 0.774 20 30 FCEDLP CCN(C)C(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000273583323 488660216 /nfs/dbraw/zinc/66/02/16/488660216.db2.gz POCVADXAWAIPTO-UHFFFAOYSA-N 2 2 361.490 0.961 20 30 FCEDLP CCN(C)C(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000273583323 488660217 /nfs/dbraw/zinc/66/02/17/488660217.db2.gz POCVADXAWAIPTO-UHFFFAOYSA-N 2 2 361.490 0.961 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000162236639 488801297 /nfs/dbraw/zinc/80/12/97/488801297.db2.gz ACZIDWQNPMEZMK-HKUYNNGSSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000162236639 488801300 /nfs/dbraw/zinc/80/13/00/488801300.db2.gz ACZIDWQNPMEZMK-HKUYNNGSSA-N 2 2 372.469 0.536 20 30 FCEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329283499 488989503 /nfs/dbraw/zinc/98/95/03/488989503.db2.gz FRVGTCNVZBBVRD-OAHLLOKOSA-N 2 2 359.478 0.339 20 30 FCEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329283499 488989507 /nfs/dbraw/zinc/98/95/07/488989507.db2.gz FRVGTCNVZBBVRD-OAHLLOKOSA-N 2 2 359.478 0.339 20 30 FCEDLP C[NH+]1CCC(CNC(=O)NC[C@@H]2COCCO2)([NH+]2CCCCC2)CC1 ZINC000329774452 489035107 /nfs/dbraw/zinc/03/51/07/489035107.db2.gz MFAKJVVEIBORQQ-MRXNPFEDSA-N 2 2 354.495 0.856 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000329804886 489037640 /nfs/dbraw/zinc/03/76/40/489037640.db2.gz AHRFVMVDNJVOLD-INIZCTEOSA-N 2 2 372.473 0.795 20 30 FCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000329804886 489037642 /nfs/dbraw/zinc/03/76/42/489037642.db2.gz AHRFVMVDNJVOLD-INIZCTEOSA-N 2 2 372.473 0.795 20 30 FCEDLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329815442 489038997 /nfs/dbraw/zinc/03/89/97/489038997.db2.gz DLTLTPMSBTWXLJ-OAHLLOKOSA-N 2 2 373.461 1.000 20 30 FCEDLP C[C@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C[NH+]1CCOCC1 ZINC000329971421 489055969 /nfs/dbraw/zinc/05/59/69/489055969.db2.gz VOSBBUDTYSUDPS-HZPDHXFCSA-N 2 2 364.494 0.591 20 30 FCEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330186966 489077421 /nfs/dbraw/zinc/07/74/21/489077421.db2.gz KBSQTTURVAPKSQ-HZPDHXFCSA-N 2 2 374.489 0.740 20 30 FCEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330186965 489077693 /nfs/dbraw/zinc/07/76/93/489077693.db2.gz KBSQTTURVAPKSQ-CVEARBPZSA-N 2 2 374.489 0.740 20 30 FCEDLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000331224996 489187664 /nfs/dbraw/zinc/18/76/64/489187664.db2.gz XFYFESNBWGWZQH-GASCZTMLSA-N 2 2 369.510 0.152 20 30 FCEDLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000331224996 489187669 /nfs/dbraw/zinc/18/76/69/489187669.db2.gz XFYFESNBWGWZQH-GASCZTMLSA-N 2 2 369.510 0.152 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000297487674 489203483 /nfs/dbraw/zinc/20/34/83/489203483.db2.gz NAESSBKGASADEV-UHFFFAOYSA-N 2 2 370.461 0.150 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000297487674 489203484 /nfs/dbraw/zinc/20/34/84/489203484.db2.gz NAESSBKGASADEV-UHFFFAOYSA-N 2 2 370.461 0.150 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000362075023 489374147 /nfs/dbraw/zinc/37/41/47/489374147.db2.gz BWPUVIPXAJPPIH-LJQANCHMSA-N 2 2 353.470 0.592 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000362075023 489374150 /nfs/dbraw/zinc/37/41/50/489374150.db2.gz BWPUVIPXAJPPIH-LJQANCHMSA-N 2 2 353.470 0.592 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000286632316 489412505 /nfs/dbraw/zinc/41/25/05/489412505.db2.gz MLAXACMPGOOOSY-UHFFFAOYSA-N 2 2 357.458 0.497 20 30 FCEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000570883803 491271623 /nfs/dbraw/zinc/27/16/23/491271623.db2.gz PCXUYAMTJOYJCP-UHFFFAOYSA-N 2 2 356.474 0.676 20 30 FCEDLP C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958194 489791838 /nfs/dbraw/zinc/79/18/38/489791838.db2.gz HAVSEIVYGLMMRP-ROUUACIJSA-N 2 2 360.506 0.600 20 30 FCEDLP C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958194 489791840 /nfs/dbraw/zinc/79/18/40/489791840.db2.gz HAVSEIVYGLMMRP-ROUUACIJSA-N 2 2 360.506 0.600 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000556105370 491294807 /nfs/dbraw/zinc/29/48/07/491294807.db2.gz MKSADZZHFQBRMD-UHFFFAOYSA-N 2 2 358.446 0.376 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000556105370 491294809 /nfs/dbraw/zinc/29/48/09/491294809.db2.gz MKSADZZHFQBRMD-UHFFFAOYSA-N 2 2 358.446 0.376 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556273946 491307707 /nfs/dbraw/zinc/30/77/07/491307707.db2.gz SDNJHPHGHQHCKK-UHFFFAOYSA-N 2 2 359.474 0.645 20 30 FCEDLP CN(c1ncc(C#N)cc1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521981480 490320951 /nfs/dbraw/zinc/32/09/51/490320951.db2.gz PRSODJFZMZWRKJ-UHFFFAOYSA-N 2 2 374.464 0.767 20 30 FCEDLP CC[C@@](C)(C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510266068 490503808 /nfs/dbraw/zinc/50/38/08/490503808.db2.gz AZLCVAGJOICMQY-IBGZPJMESA-N 2 2 363.506 0.623 20 30 FCEDLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017547 490520736 /nfs/dbraw/zinc/52/07/36/490520736.db2.gz WNHQAVGBCBUJQZ-QGZVFWFLSA-N 2 2 355.442 0.023 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851891 490537790 /nfs/dbraw/zinc/53/77/90/490537790.db2.gz VIFBYSJKOXHOCY-IRXDYDNUSA-N 2 2 373.505 0.945 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851891 490537794 /nfs/dbraw/zinc/53/77/94/490537794.db2.gz VIFBYSJKOXHOCY-IRXDYDNUSA-N 2 2 373.505 0.945 20 30 FCEDLP C=CCN(CCOC)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557233297 491360845 /nfs/dbraw/zinc/36/08/45/491360845.db2.gz JSWJGDKVBGOXEX-UHFFFAOYSA-N 2 2 366.506 0.322 20 30 FCEDLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000577165576 491597177 /nfs/dbraw/zinc/59/71/77/491597177.db2.gz LHEUBYJKJZAAKR-UHFFFAOYSA-N 2 2 371.485 0.707 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586813081 491733187 /nfs/dbraw/zinc/73/31/87/491733187.db2.gz CQNKLJNUDXUYAF-CQSZACIVSA-N 2 2 354.520 0.307 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586813081 491733188 /nfs/dbraw/zinc/73/31/88/491733188.db2.gz CQNKLJNUDXUYAF-CQSZACIVSA-N 2 2 354.520 0.307 20 30 FCEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261746030 526378240 /nfs/dbraw/zinc/37/82/40/526378240.db2.gz MXVMRNLZZPGAAW-SJLPKXTDSA-N 3 2 369.579 0.653 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261843868 526389150 /nfs/dbraw/zinc/38/91/50/526389150.db2.gz WONXEIHHZMYZLZ-HNNXBMFYSA-N 3 2 363.510 0.216 20 30 FCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262813244 528806710 /nfs/dbraw/zinc/80/67/10/528806710.db2.gz VWGMIWAVWACUDC-CQSZACIVSA-N 2 2 351.524 0.505 20 30 FCEDLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329979800 546576228 /nfs/dbraw/zinc/57/62/28/546576228.db2.gz KFZJDKRHPDVJIJ-SJORKVTESA-N 2 2 353.511 0.333 20 30 FCEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971998377 663471809 /nfs/dbraw/zinc/47/18/09/663471809.db2.gz QCXZUGYAZCXKFR-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971998377 663471810 /nfs/dbraw/zinc/47/18/10/663471810.db2.gz QCXZUGYAZCXKFR-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709410 664944147 /nfs/dbraw/zinc/94/41/47/664944147.db2.gz LMRNXFKFLINREI-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709410 664944149 /nfs/dbraw/zinc/94/41/49/664944149.db2.gz LMRNXFKFLINREI-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000890364400 673714666 /nfs/dbraw/zinc/71/46/66/673714666.db2.gz ZLOSXWOOEJACJN-KRWDZBQOSA-N 2 2 352.479 0.074 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000890364400 673714671 /nfs/dbraw/zinc/71/46/71/673714671.db2.gz ZLOSXWOOEJACJN-KRWDZBQOSA-N 2 2 352.479 0.074 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000890364401 673714790 /nfs/dbraw/zinc/71/47/90/673714790.db2.gz ZLOSXWOOEJACJN-QGZVFWFLSA-N 2 2 352.479 0.074 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000890364401 673714791 /nfs/dbraw/zinc/71/47/91/673714791.db2.gz ZLOSXWOOEJACJN-QGZVFWFLSA-N 2 2 352.479 0.074 20 30 FCEDLP C#CCSCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900606300 675699113 /nfs/dbraw/zinc/69/91/13/675699113.db2.gz RPTZDJVUEBXQND-UHFFFAOYSA-N 2 2 366.531 0.050 20 30 FCEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024573078 1181348770 /nfs/dbraw/zinc/34/87/70/1181348770.db2.gz WKVMCMOITPKYHC-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274573 1181755074 /nfs/dbraw/zinc/75/50/74/1181755074.db2.gz QJSYLTSWBJFTKE-SLFFLAALSA-N 2 2 353.466 0.901 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274573 1181755088 /nfs/dbraw/zinc/75/50/88/1181755088.db2.gz QJSYLTSWBJFTKE-SLFFLAALSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274573 1181755096 /nfs/dbraw/zinc/75/50/96/1181755096.db2.gz QJSYLTSWBJFTKE-SLFFLAALSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083274573 1181755103 /nfs/dbraw/zinc/75/51/03/1181755103.db2.gz QJSYLTSWBJFTKE-SLFFLAALSA-N 2 2 353.466 0.901 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021631 1182390323 /nfs/dbraw/zinc/39/03/23/1182390323.db2.gz XZBPYMVTMVXMNN-LPHOPBHVSA-N 2 2 357.458 0.383 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021631 1182390326 /nfs/dbraw/zinc/39/03/26/1182390326.db2.gz XZBPYMVTMVXMNN-LPHOPBHVSA-N 2 2 357.458 0.383 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974633067 1183395799 /nfs/dbraw/zinc/39/57/99/1183395799.db2.gz LVPGUEWGTNAJMI-FGTMMUONSA-N 2 2 369.469 0.430 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974633067 1183395808 /nfs/dbraw/zinc/39/58/08/1183395808.db2.gz LVPGUEWGTNAJMI-FGTMMUONSA-N 2 2 369.469 0.430 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981625446 1186468702 /nfs/dbraw/zinc/46/87/02/1186468702.db2.gz PYYCLMIMCZNYNE-KSZLIROESA-N 2 2 371.485 0.690 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981625446 1186468707 /nfs/dbraw/zinc/46/87/07/1186468707.db2.gz PYYCLMIMCZNYNE-KSZLIROESA-N 2 2 371.485 0.690 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645237 1187584283 /nfs/dbraw/zinc/58/42/83/1187584283.db2.gz ULLGMIKPUNTHGM-XUVXKRRUSA-N 2 2 353.466 0.901 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645237 1187584285 /nfs/dbraw/zinc/58/42/85/1187584285.db2.gz ULLGMIKPUNTHGM-XUVXKRRUSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645237 1187584287 /nfs/dbraw/zinc/58/42/87/1187584287.db2.gz ULLGMIKPUNTHGM-XUVXKRRUSA-N 2 2 353.466 0.901 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001075645237 1187584290 /nfs/dbraw/zinc/58/42/90/1187584290.db2.gz ULLGMIKPUNTHGM-XUVXKRRUSA-N 2 2 353.466 0.901 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950269 1189980982 /nfs/dbraw/zinc/98/09/82/1189980982.db2.gz KGJVMOXWNMJCNF-IKGGRYGDSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950269 1189980994 /nfs/dbraw/zinc/98/09/94/1189980994.db2.gz KGJVMOXWNMJCNF-IKGGRYGDSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC000984823705 1190163121 /nfs/dbraw/zinc/16/31/21/1190163121.db2.gz BAZWQJHQFGUAPJ-WRQOLXDDSA-N 2 2 371.485 0.795 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nonc3C)CC[C@@H]2C1 ZINC001087997809 1190173343 /nfs/dbraw/zinc/17/33/43/1190173343.db2.gz ABXHDVLTQKSFHV-RYRKJORJSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nonc3C)CC[C@@H]2C1 ZINC001087997809 1190173348 /nfs/dbraw/zinc/17/33/48/1190173348.db2.gz ABXHDVLTQKSFHV-RYRKJORJSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nonc3C)CC[C@@H]2C1 ZINC001087997809 1190173351 /nfs/dbraw/zinc/17/33/51/1190173351.db2.gz ABXHDVLTQKSFHV-RYRKJORJSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nonc3C)CC[C@@H]2C1 ZINC001087997809 1190173355 /nfs/dbraw/zinc/17/33/55/1190173355.db2.gz ABXHDVLTQKSFHV-RYRKJORJSA-N 2 2 357.458 0.756 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218327250 1224153977 /nfs/dbraw/zinc/15/39/77/1224153977.db2.gz PHJXVFPGJYPVSJ-DMRZNYOFSA-N 2 2 373.409 0.150 20 30 FCEDLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001218328021 1224154157 /nfs/dbraw/zinc/15/41/57/1224154157.db2.gz HEIMMOOHTDADTG-ADAFDVPTSA-N 2 2 364.402 0.154 20 30 FCEDLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001218328021 1224154161 /nfs/dbraw/zinc/15/41/61/1224154161.db2.gz HEIMMOOHTDADTG-ADAFDVPTSA-N 2 2 364.402 0.154 20 30 FCEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465922 1193797039 /nfs/dbraw/zinc/79/70/39/1193797039.db2.gz YKKYESQKYKLACD-AQNXPRMDSA-N 2 2 353.466 0.541 20 30 FCEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465922 1193797043 /nfs/dbraw/zinc/79/70/43/1193797043.db2.gz YKKYESQKYKLACD-AQNXPRMDSA-N 2 2 353.466 0.541 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226969 /nfs/dbraw/zinc/22/69/69/1194226969.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226972 /nfs/dbraw/zinc/22/69/72/1194226972.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226977 /nfs/dbraw/zinc/22/69/77/1194226977.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226979 /nfs/dbraw/zinc/22/69/79/1194226979.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001077158741 1195279892 /nfs/dbraw/zinc/27/98/92/1195279892.db2.gz VXNUFYNMOUHAQU-QHAWAJNXSA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001077158741 1195279898 /nfs/dbraw/zinc/27/98/98/1195279898.db2.gz VXNUFYNMOUHAQU-QHAWAJNXSA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001077158741 1195279905 /nfs/dbraw/zinc/27/99/05/1195279905.db2.gz VXNUFYNMOUHAQU-QHAWAJNXSA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001077158741 1195279913 /nfs/dbraw/zinc/27/99/13/1195279913.db2.gz VXNUFYNMOUHAQU-QHAWAJNXSA-N 2 2 367.493 0.934 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077158746 1195280092 /nfs/dbraw/zinc/28/00/92/1195280092.db2.gz WCHZRFYKVILVEI-HSALFYBXSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077158746 1195280098 /nfs/dbraw/zinc/28/00/98/1195280098.db2.gz WCHZRFYKVILVEI-HSALFYBXSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077158746 1195280106 /nfs/dbraw/zinc/28/01/06/1195280106.db2.gz WCHZRFYKVILVEI-HSALFYBXSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077158746 1195280109 /nfs/dbraw/zinc/28/01/09/1195280109.db2.gz WCHZRFYKVILVEI-HSALFYBXSA-N 2 2 370.497 0.512 20 30 FCEDLP CN(c1ccnc(C#N)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000911895856 1196318362 /nfs/dbraw/zinc/31/83/62/1196318362.db2.gz WSWSCJHMUWCXLK-UHFFFAOYSA-N 2 2 356.474 0.628 20 30 FCEDLP CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000592290622 1196577318 /nfs/dbraw/zinc/57/73/18/1196577318.db2.gz NFWNNNJKTLIXOQ-INIZCTEOSA-N 2 2 370.457 0.519 20 30 FCEDLP CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000592290622 1196577323 /nfs/dbraw/zinc/57/73/23/1196577323.db2.gz NFWNNNJKTLIXOQ-INIZCTEOSA-N 2 2 370.457 0.519 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106415266 1197910750 /nfs/dbraw/zinc/91/07/50/1197910750.db2.gz DENUIGPHSCCZNC-HUUCEWRRSA-N 2 2 353.426 0.381 20 30 FCEDLP CC#CC(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001273363236 1198005522 /nfs/dbraw/zinc/00/55/22/1198005522.db2.gz RJHOKEHKUWAJDE-HZPDHXFCSA-N 2 2 357.458 0.196 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109857963 1200569106 /nfs/dbraw/zinc/56/91/06/1200569106.db2.gz MHTAQNADEQHZSU-SQNIBIBYSA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857963 1200569116 /nfs/dbraw/zinc/56/91/16/1200569116.db2.gz MHTAQNADEQHZSU-SQNIBIBYSA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857963 1200569127 /nfs/dbraw/zinc/56/91/27/1200569127.db2.gz MHTAQNADEQHZSU-SQNIBIBYSA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857963 1200569133 /nfs/dbraw/zinc/56/91/33/1200569133.db2.gz MHTAQNADEQHZSU-SQNIBIBYSA-N 2 2 362.518 0.969 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563303 1200795855 /nfs/dbraw/zinc/79/58/55/1200795855.db2.gz PSACMFIFSAKPCP-GUXCAODWSA-N 2 2 371.485 0.319 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433714 1201315805 /nfs/dbraw/zinc/31/58/05/1201315805.db2.gz OBGCJUNXXOOWLE-BBWFWOEESA-N 2 2 362.478 0.164 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433714 1201315808 /nfs/dbraw/zinc/31/58/08/1201315808.db2.gz OBGCJUNXXOOWLE-BBWFWOEESA-N 2 2 362.478 0.164 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917607 1201427868 /nfs/dbraw/zinc/42/78/68/1201427868.db2.gz YMJXSUKBUHLGNY-OAGGEKHMSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129919270 1201441487 /nfs/dbraw/zinc/44/14/87/1201441487.db2.gz TVNUYYALRHFGIX-OIISXLGYSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130242200 1201562406 /nfs/dbraw/zinc/56/24/06/1201562406.db2.gz LMBZYKRQQJVPJW-GJZGRUSLSA-N 2 2 364.494 0.801 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219923035 1224683363 /nfs/dbraw/zinc/68/33/63/1224683363.db2.gz UIXNBGTYCQEWJF-XYPHTWIQSA-N 2 2 371.441 0.108 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219923035 1224683366 /nfs/dbraw/zinc/68/33/66/1224683366.db2.gz UIXNBGTYCQEWJF-XYPHTWIQSA-N 2 2 371.441 0.108 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001130305269 1201581725 /nfs/dbraw/zinc/58/17/25/1201581725.db2.gz QIIMYXRHEHKBRU-MDYRTPRTSA-N 2 2 371.485 0.943 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616804 1202737363 /nfs/dbraw/zinc/73/73/63/1202737363.db2.gz CFUMXGBXSDKDDY-HHXXYDBFSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130617246 1202737512 /nfs/dbraw/zinc/73/75/12/1202737512.db2.gz WHLYUFFRCXBWMX-XYJFISCASA-N 2 2 366.469 0.787 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078682 1224748852 /nfs/dbraw/zinc/74/88/52/1224748852.db2.gz YLFIDOYJHWEVPP-OAGGEKHMSA-N 2 2 366.506 0.103 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078682 1224748856 /nfs/dbraw/zinc/74/88/56/1224748856.db2.gz YLFIDOYJHWEVPP-OAGGEKHMSA-N 2 2 366.506 0.103 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131017877 1202843712 /nfs/dbraw/zinc/84/37/12/1202843712.db2.gz PZLSEGCXRHPTSG-KBAYOESNSA-N 2 2 366.469 0.787 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131019894 1202846422 /nfs/dbraw/zinc/84/64/22/1202846422.db2.gz FUKZSHDNWQDNKG-KBAYOESNSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CCNC(=O)CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000819061095 1203149936 /nfs/dbraw/zinc/14/99/36/1203149936.db2.gz SXORONRLWPLTSX-INIZCTEOSA-N 2 2 372.473 0.011 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233875 1224811717 /nfs/dbraw/zinc/81/17/17/1224811717.db2.gz KKZUEJGYIBFFRX-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233875 1224811720 /nfs/dbraw/zinc/81/17/20/1224811720.db2.gz KKZUEJGYIBFFRX-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cncc(C#N)c3)CC2)C1=O ZINC001144080523 1204417248 /nfs/dbraw/zinc/41/72/48/1204417248.db2.gz OYEZJIYUWPPOIH-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cncc(C#N)c3)CC2)C1=O ZINC001144080523 1204417256 /nfs/dbraw/zinc/41/72/56/1204417256.db2.gz OYEZJIYUWPPOIH-UHFFFAOYSA-N 2 2 370.501 0.623 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984835 1204879572 /nfs/dbraw/zinc/87/95/72/1204879572.db2.gz GPUGFTAOZPCOAN-URLQWDBASA-N 2 2 366.469 0.774 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984835 1204879574 /nfs/dbraw/zinc/87/95/74/1204879574.db2.gz GPUGFTAOZPCOAN-URLQWDBASA-N 2 2 366.469 0.774 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050246 1205124474 /nfs/dbraw/zinc/12/44/74/1205124474.db2.gz OURYLVGGJZFRBV-OGWOLHLISA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050246 1205124478 /nfs/dbraw/zinc/12/44/78/1205124478.db2.gz OURYLVGGJZFRBV-OGWOLHLISA-N 2 2 357.458 0.519 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1nccnc1C#N ZINC001092314192 1205244167 /nfs/dbraw/zinc/24/41/67/1205244167.db2.gz AGWAWOKNJKOVSB-UKRRQHHQSA-N 2 2 368.445 0.440 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CC1 ZINC001110145981 1206090732 /nfs/dbraw/zinc/09/07/32/1206090732.db2.gz CYWZFLGRSHWINN-SQNIBIBYSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CC1 ZINC001110145981 1206090735 /nfs/dbraw/zinc/09/07/35/1206090735.db2.gz CYWZFLGRSHWINN-SQNIBIBYSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1 ZINC001093832874 1206126715 /nfs/dbraw/zinc/12/67/15/1206126715.db2.gz FGLRELBUOYHJJE-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(CC)no2)[C@H](C)C1 ZINC001093832874 1206126717 /nfs/dbraw/zinc/12/67/17/1206126717.db2.gz FGLRELBUOYHJJE-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752727 1206364780 /nfs/dbraw/zinc/36/47/80/1206364780.db2.gz ZSJLNHHKKDVHIR-BZUAXINKSA-N 2 2 359.474 0.917 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752727 1206364782 /nfs/dbraw/zinc/36/47/82/1206364782.db2.gz ZSJLNHHKKDVHIR-BZUAXINKSA-N 2 2 359.474 0.917 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185942378 1206488744 /nfs/dbraw/zinc/48/87/44/1206488744.db2.gz KNECEEDOWRFTML-KBAYOESNSA-N 2 2 358.490 0.895 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185942378 1206488745 /nfs/dbraw/zinc/48/87/45/1206488745.db2.gz KNECEEDOWRFTML-KBAYOESNSA-N 2 2 358.490 0.895 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001187978574 1207407062 /nfs/dbraw/zinc/40/70/62/1207407062.db2.gz LIYZAEKELNCKFY-KFKAGJAMSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001187978574 1207407066 /nfs/dbraw/zinc/40/70/66/1207407066.db2.gz LIYZAEKELNCKFY-KFKAGJAMSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)[C@@H]2C1 ZINC001187978574 1207407067 /nfs/dbraw/zinc/40/70/67/1207407067.db2.gz LIYZAEKELNCKFY-KFKAGJAMSA-N 2 2 371.485 0.973 20 30 FCEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)[C@@H]2C1 ZINC001187978574 1207407070 /nfs/dbraw/zinc/40/70/70/1207407070.db2.gz LIYZAEKELNCKFY-KFKAGJAMSA-N 2 2 371.485 0.973 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189985 1207431279 /nfs/dbraw/zinc/43/12/79/1207431279.db2.gz RQHLSPLUWFJQPM-GVDBMIGSSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189985 1207431282 /nfs/dbraw/zinc/43/12/82/1207431282.db2.gz RQHLSPLUWFJQPM-GVDBMIGSSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189985 1207431284 /nfs/dbraw/zinc/43/12/84/1207431284.db2.gz RQHLSPLUWFJQPM-GVDBMIGSSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188189985 1207431288 /nfs/dbraw/zinc/43/12/88/1207431288.db2.gz RQHLSPLUWFJQPM-GVDBMIGSSA-N 2 2 361.490 0.137 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948434 1207490183 /nfs/dbraw/zinc/49/01/83/1207490183.db2.gz FDJIKZSEIJPFHG-LZLYRXPVSA-N 2 2 369.469 0.036 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948434 1207490189 /nfs/dbraw/zinc/49/01/89/1207490189.db2.gz FDJIKZSEIJPFHG-LZLYRXPVSA-N 2 2 369.469 0.036 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193757299 1207890306 /nfs/dbraw/zinc/89/03/06/1207890306.db2.gz YOWNDZYIHYUSNW-HZPDHXFCSA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193757299 1207890307 /nfs/dbraw/zinc/89/03/07/1207890307.db2.gz YOWNDZYIHYUSNW-HZPDHXFCSA-N 2 2 366.506 0.057 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578574 1208486668 /nfs/dbraw/zinc/48/66/68/1208486668.db2.gz NHWNDRZMCYIAAN-VQHPVUNQSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578574 1208486671 /nfs/dbraw/zinc/48/66/71/1208486671.db2.gz NHWNDRZMCYIAAN-VQHPVUNQSA-N 2 2 371.485 0.868 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799368 1225080345 /nfs/dbraw/zinc/08/03/45/1225080345.db2.gz ZNZOHVZFCOISAV-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799368 1225080353 /nfs/dbraw/zinc/08/03/53/1225080353.db2.gz ZNZOHVZFCOISAV-SJORKVTESA-N 2 2 366.506 0.080 20 30 FCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110662391 1209587856 /nfs/dbraw/zinc/58/78/56/1209587856.db2.gz NNPHIXQEAJMMEX-ZJPYXAASSA-N 2 2 361.490 0.737 20 30 FCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110662391 1209587862 /nfs/dbraw/zinc/58/78/62/1209587862.db2.gz NNPHIXQEAJMMEX-ZJPYXAASSA-N 2 2 361.490 0.737 20 30 FCEDLP C[NH+]1CCN(CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782292 1210430144 /nfs/dbraw/zinc/43/01/44/1210430144.db2.gz VOWMJXFPACWQRT-IBGZPJMESA-N 2 2 355.486 0.889 20 30 FCEDLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001111161620 1211906410 /nfs/dbraw/zinc/90/64/10/1211906410.db2.gz UCWWJQDPWQMSIC-ZACQAIPSSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001111161620 1211906411 /nfs/dbraw/zinc/90/64/11/1211906411.db2.gz UCWWJQDPWQMSIC-ZACQAIPSSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111161620 1211906412 /nfs/dbraw/zinc/90/64/12/1211906412.db2.gz UCWWJQDPWQMSIC-ZACQAIPSSA-N 2 2 363.506 0.860 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111161620 1211906413 /nfs/dbraw/zinc/90/64/13/1211906413.db2.gz UCWWJQDPWQMSIC-ZACQAIPSSA-N 2 2 363.506 0.860 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197977 1211923858 /nfs/dbraw/zinc/92/38/58/1211923858.db2.gz BQVQMYOYWBEWQY-OIISXLGYSA-N 2 2 364.490 0.121 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197977 1211923861 /nfs/dbraw/zinc/92/38/61/1211923861.db2.gz BQVQMYOYWBEWQY-OIISXLGYSA-N 2 2 364.490 0.121 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639191 1212214802 /nfs/dbraw/zinc/21/48/02/1212214802.db2.gz NRVOUZALTIVVIC-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639191 1212214803 /nfs/dbraw/zinc/21/48/03/1212214803.db2.gz NRVOUZALTIVVIC-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)CC1 ZINC000950377089 1212564637 /nfs/dbraw/zinc/56/46/37/1212564637.db2.gz ZVPDGIOWFBJGMK-CRAIPNDOSA-N 2 2 371.485 0.651 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415317 1213012628 /nfs/dbraw/zinc/01/26/28/1213012628.db2.gz MCTYGGQDBYMRFU-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415317 1213012635 /nfs/dbraw/zinc/01/26/35/1213012635.db2.gz MCTYGGQDBYMRFU-KURKYZTESA-N 2 2 360.502 0.723 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688553 1225443583 /nfs/dbraw/zinc/44/35/83/1225443583.db2.gz CIGNLOQPXQCVHQ-RHSMWYFYSA-N 2 2 353.426 0.783 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688553 1225443588 /nfs/dbraw/zinc/44/35/88/1225443588.db2.gz CIGNLOQPXQCVHQ-RHSMWYFYSA-N 2 2 353.426 0.783 20 30 FCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000960529730 1213805627 /nfs/dbraw/zinc/80/56/27/1213805627.db2.gz UMJMBJRVGIDRSF-PKOFMYQESA-N 2 2 353.466 0.804 20 30 FCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000960529730 1213805628 /nfs/dbraw/zinc/80/56/28/1213805628.db2.gz UMJMBJRVGIDRSF-PKOFMYQESA-N 2 2 353.466 0.804 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000960529730 1213805629 /nfs/dbraw/zinc/80/56/29/1213805629.db2.gz UMJMBJRVGIDRSF-PKOFMYQESA-N 2 2 353.466 0.804 20 30 FCEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000960529730 1213805630 /nfs/dbraw/zinc/80/56/30/1213805630.db2.gz UMJMBJRVGIDRSF-PKOFMYQESA-N 2 2 353.466 0.804 20 30 FCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001016747521 1214040329 /nfs/dbraw/zinc/04/03/29/1214040329.db2.gz XEGXYGWQWADTAF-SQNIBIBYSA-N 2 2 361.486 0.470 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848591 1225505196 /nfs/dbraw/zinc/50/51/96/1225505196.db2.gz WFGGSPZLEALGIG-FGTMMUONSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848591 1225505200 /nfs/dbraw/zinc/50/52/00/1225505200.db2.gz WFGGSPZLEALGIG-FGTMMUONSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848591 1225505201 /nfs/dbraw/zinc/50/52/01/1225505201.db2.gz WFGGSPZLEALGIG-FGTMMUONSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848591 1225505204 /nfs/dbraw/zinc/50/52/04/1225505204.db2.gz WFGGSPZLEALGIG-FGTMMUONSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001052086756 1216494928 /nfs/dbraw/zinc/49/49/28/1216494928.db2.gz HMJXVKRGKHQXKX-RCCFBDPRSA-N 2 2 355.486 0.765 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945402 1216858558 /nfs/dbraw/zinc/85/85/58/1216858558.db2.gz MIJLMXHYHXJEOW-PMPSAXMXSA-N 2 2 355.446 0.970 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945402 1216858562 /nfs/dbraw/zinc/85/85/62/1216858562.db2.gz MIJLMXHYHXJEOW-PMPSAXMXSA-N 2 2 355.446 0.970 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070026835 1216905290 /nfs/dbraw/zinc/90/52/90/1216905290.db2.gz JPSNTIVTTCHVFC-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070026835 1216905294 /nfs/dbraw/zinc/90/52/94/1216905294.db2.gz JPSNTIVTTCHVFC-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046722 1216922266 /nfs/dbraw/zinc/92/22/66/1216922266.db2.gz LDCVINLTHHBFAO-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046722 1216922271 /nfs/dbraw/zinc/92/22/71/1216922271.db2.gz LDCVINLTHHBFAO-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046722 1216922274 /nfs/dbraw/zinc/92/22/74/1216922274.db2.gz LDCVINLTHHBFAO-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046722 1216922278 /nfs/dbraw/zinc/92/22/78/1216922278.db2.gz LDCVINLTHHBFAO-KURKYZTESA-N 2 2 358.490 0.906 20 30 FCEDLP C[NH+]1CCN(CCCN2C(=O)C[C@@]3(CCC[N@H+](CCC#N)C3)C2=O)CC1 ZINC001276949920 1225759272 /nfs/dbraw/zinc/75/92/72/1225759272.db2.gz YRNWOOHNKFAQPS-LJQANCHMSA-N 2 2 361.490 0.379 20 30 FCEDLP CN1CC[NH+](CCCN2C(=O)C[C@@]3(CCC[N@@H+](CCC#N)C3)C2=O)CC1 ZINC001276949920 1225759291 /nfs/dbraw/zinc/75/92/91/1225759291.db2.gz YRNWOOHNKFAQPS-LJQANCHMSA-N 2 2 361.490 0.379 20 30 FCEDLP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224583613 1225785455 /nfs/dbraw/zinc/78/54/55/1225785455.db2.gz WAWQUUZQFRBVNT-HZPDHXFCSA-N 2 2 359.474 0.654 20 30 FCEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606761 1218500092 /nfs/dbraw/zinc/50/00/92/1218500092.db2.gz DGDJUPJDYFQWRY-XWSJACJDSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606761 1218500097 /nfs/dbraw/zinc/50/00/97/1218500097.db2.gz DGDJUPJDYFQWRY-XWSJACJDSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CC1 ZINC001096607655 1218575437 /nfs/dbraw/zinc/57/54/37/1218575437.db2.gz HBLLXUKLCAKQRN-NEWSRXKRSA-N 2 2 355.486 0.987 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334936 1219384572 /nfs/dbraw/zinc/38/45/72/1219384572.db2.gz XFYKKARMTFWWKI-FGTMMUONSA-N 2 2 369.473 0.894 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506509 1219444221 /nfs/dbraw/zinc/44/42/21/1219444221.db2.gz DTOIJKHSQYAVKO-UWWQBHOKSA-N 2 2 352.442 0.396 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070681051 1219522359 /nfs/dbraw/zinc/52/23/59/1219522359.db2.gz RDBDDBINTRXGRG-GVDBMIGSSA-N 2 2 358.490 0.950 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070681051 1219522363 /nfs/dbraw/zinc/52/23/63/1219522363.db2.gz RDBDDBINTRXGRG-GVDBMIGSSA-N 2 2 358.490 0.950 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098220918 1219743495 /nfs/dbraw/zinc/74/34/95/1219743495.db2.gz MEKGPERCRYBCNZ-SIXLDLHFSA-N 2 2 357.458 0.471 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098220918 1219743497 /nfs/dbraw/zinc/74/34/97/1219743497.db2.gz MEKGPERCRYBCNZ-SIXLDLHFSA-N 2 2 357.458 0.471 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001098407740 1219774693 /nfs/dbraw/zinc/77/46/93/1219774693.db2.gz PSMFOWLBWJLUTC-WCXIOVBPSA-N 2 2 357.458 0.700 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)C1=O ZINC001098407740 1219774697 /nfs/dbraw/zinc/77/46/97/1219774697.db2.gz PSMFOWLBWJLUTC-WCXIOVBPSA-N 2 2 357.458 0.700 20 30 FCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001098955390 1219873050 /nfs/dbraw/zinc/87/30/50/1219873050.db2.gz PQNKRKVSQPGREJ-DMUMMCEESA-N 2 2 361.486 0.470 20 30 FCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001098955390 1219873053 /nfs/dbraw/zinc/87/30/53/1219873053.db2.gz PQNKRKVSQPGREJ-DMUMMCEESA-N 2 2 361.486 0.470 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120583 1219920439 /nfs/dbraw/zinc/92/04/39/1219920439.db2.gz DMKVGYYBNMMKSQ-VPWXQRGCSA-N 2 2 371.485 0.720 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120583 1219920443 /nfs/dbraw/zinc/92/04/43/1219920443.db2.gz DMKVGYYBNMMKSQ-VPWXQRGCSA-N 2 2 371.485 0.720 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120580 1219920726 /nfs/dbraw/zinc/92/07/26/1219920726.db2.gz DMKVGYYBNMMKSQ-KNBMTAEXSA-N 2 2 371.485 0.720 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120580 1219920729 /nfs/dbraw/zinc/92/07/29/1219920729.db2.gz DMKVGYYBNMMKSQ-KNBMTAEXSA-N 2 2 371.485 0.720 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281116 1220265691 /nfs/dbraw/zinc/26/56/91/1220265691.db2.gz IPCCDCAAKMRDKH-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281116 1220265694 /nfs/dbraw/zinc/26/56/94/1220265694.db2.gz IPCCDCAAKMRDKH-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283080 1220267140 /nfs/dbraw/zinc/26/71/40/1220267140.db2.gz QYKYMQCQVKEJKV-QINHECLXSA-N 2 2 371.485 0.528 20 30 FCEDLP 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C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)CC1 ZINC001080997450 1256131707 /nfs/dbraw/zinc/13/17/07/1256131707.db2.gz DMUKJDIZPMDJNM-CRAIPNDOSA-N 2 2 371.485 0.767 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@H]2C)CC1 ZINC001080997450 1256131710 /nfs/dbraw/zinc/13/17/10/1256131710.db2.gz DMUKJDIZPMDJNM-CRAIPNDOSA-N 2 2 371.485 0.767 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC001330465613 1266032132 /nfs/dbraw/zinc/03/21/32/1266032132.db2.gz GSDVIHASEOKNLN-HOTGVXAUSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC001330465613 1266032141 /nfs/dbraw/zinc/03/21/41/1266032141.db2.gz GSDVIHASEOKNLN-HOTGVXAUSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001081810012 1256390944 /nfs/dbraw/zinc/39/09/44/1256390944.db2.gz CQYJNPPNVJJRTP-HSALFYBXSA-N 2 2 371.481 0.592 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001081810012 1256390951 /nfs/dbraw/zinc/39/09/51/1256390951.db2.gz CQYJNPPNVJJRTP-HSALFYBXSA-N 2 2 371.481 0.592 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001081810012 1256390956 /nfs/dbraw/zinc/39/09/56/1256390956.db2.gz CQYJNPPNVJJRTP-HSALFYBXSA-N 2 2 371.481 0.592 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001081810012 1256390964 /nfs/dbraw/zinc/39/09/64/1256390964.db2.gz CQYJNPPNVJJRTP-HSALFYBXSA-N 2 2 371.481 0.592 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2OC)CC1 ZINC001082384365 1256735362 /nfs/dbraw/zinc/73/53/62/1256735362.db2.gz RJEWIFNSDMCXFZ-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2OC)CC1 ZINC001082384365 1256735366 /nfs/dbraw/zinc/73/53/66/1256735366.db2.gz RJEWIFNSDMCXFZ-RTBURBONSA-N 2 2 371.485 0.446 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001082568612 1256872363 /nfs/dbraw/zinc/87/23/63/1256872363.db2.gz HLSWKWMFEQLROP-OLMNPRSZSA-N 2 2 358.490 0.641 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001082568612 1256872377 /nfs/dbraw/zinc/87/23/77/1256872377.db2.gz HLSWKWMFEQLROP-OLMNPRSZSA-N 2 2 358.490 0.641 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC001082941338 1257159630 /nfs/dbraw/zinc/15/96/30/1257159630.db2.gz HYDADYDFNLUYGC-CKEIUWERSA-N 2 2 358.490 0.956 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053301 1257864656 /nfs/dbraw/zinc/86/46/56/1257864656.db2.gz YJJOGJMZGQTHME-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053301 1257864670 /nfs/dbraw/zinc/86/46/70/1257864670.db2.gz YJJOGJMZGQTHME-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053301 1257864676 /nfs/dbraw/zinc/86/46/76/1257864676.db2.gz YJJOGJMZGQTHME-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1C#N ZINC001084053301 1257864685 /nfs/dbraw/zinc/86/46/85/1257864685.db2.gz YJJOGJMZGQTHME-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725906 1258804112 /nfs/dbraw/zinc/80/41/12/1258804112.db2.gz RSKFETYXMSGGEK-MDYRTPRTSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725906 1258804122 /nfs/dbraw/zinc/80/41/22/1258804122.db2.gz RSKFETYXMSGGEK-MDYRTPRTSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725906 1258804132 /nfs/dbraw/zinc/80/41/32/1258804132.db2.gz RSKFETYXMSGGEK-MDYRTPRTSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725906 1258804140 /nfs/dbraw/zinc/80/41/40/1258804140.db2.gz RSKFETYXMSGGEK-MDYRTPRTSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011767 1259016663 /nfs/dbraw/zinc/01/66/63/1259016663.db2.gz QTNGFKGLDBDARM-BHIYHBOVSA-N 2 2 365.518 0.984 20 30 FCEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001107181811 1259036502 /nfs/dbraw/zinc/03/65/02/1259036502.db2.gz IMGVCZCDOIICFI-RHSMWYFYSA-N 2 2 362.478 0.436 20 30 FCEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001107181811 1259036510 /nfs/dbraw/zinc/03/65/10/1259036510.db2.gz IMGVCZCDOIICFI-RHSMWYFYSA-N 2 2 362.478 0.436 20 30 FCEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525856 1259107845 /nfs/dbraw/zinc/10/78/45/1259107845.db2.gz QFJXJYAQUMTPNY-YQVWRLOYSA-N 2 2 357.458 0.451 20 30 FCEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525856 1259107846 /nfs/dbraw/zinc/10/78/46/1259107846.db2.gz QFJXJYAQUMTPNY-YQVWRLOYSA-N 2 2 357.458 0.451 20 30 FCEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525856 1259107848 /nfs/dbraw/zinc/10/78/48/1259107848.db2.gz QFJXJYAQUMTPNY-YQVWRLOYSA-N 2 2 357.458 0.451 20 30 FCEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525856 1259107851 /nfs/dbraw/zinc/10/78/51/1259107851.db2.gz QFJXJYAQUMTPNY-YQVWRLOYSA-N 2 2 357.458 0.451 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)C1=O ZINC001212407571 1259493473 /nfs/dbraw/zinc/49/34/73/1259493473.db2.gz BCMJRKXQLJUHMM-OWCLPIDISA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)C1=O ZINC001212407571 1259493479 /nfs/dbraw/zinc/49/34/79/1259493479.db2.gz BCMJRKXQLJUHMM-OWCLPIDISA-N 2 2 364.490 0.073 20 30 FCEDLP N#Cc1cc(F)cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247334492 1259701847 /nfs/dbraw/zinc/70/18/47/1259701847.db2.gz SHTJBJNIIXZWOX-ZDUSSCGKSA-N 2 2 355.333 0.657 20 30 FCEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001336785654 1260223102 /nfs/dbraw/zinc/22/31/02/1260223102.db2.gz QSINCLYQUYTMTD-MSOLQXFVSA-N 2 2 358.442 0.114 20 30 FCEDLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550151 1261737279 /nfs/dbraw/zinc/73/72/79/1261737279.db2.gz ZBXBTTDWPKUPDQ-FXAWDEMLSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550151 1261737288 /nfs/dbraw/zinc/73/72/88/1261737288.db2.gz ZBXBTTDWPKUPDQ-FXAWDEMLSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550151 1261737295 /nfs/dbraw/zinc/73/72/95/1261737295.db2.gz ZBXBTTDWPKUPDQ-FXAWDEMLSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550151 1261737300 /nfs/dbraw/zinc/73/73/00/1261737300.db2.gz ZBXBTTDWPKUPDQ-FXAWDEMLSA-N 2 2 367.497 0.981 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH3+])CC1 ZINC001574673440 1271479176 /nfs/dbraw/zinc/47/91/76/1271479176.db2.gz LJCANZHAAWIUEN-UHFFFAOYSA-N 2 2 368.441 0.778 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CC(=O)NCCC)CC1 ZINC001574707714 1271497969 /nfs/dbraw/zinc/49/79/69/1271497969.db2.gz XMFHCOIQVAYYHT-INIZCTEOSA-N 2 2 373.505 0.027 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3[NH2+]2)CC1 ZINC001574706900 1271498113 /nfs/dbraw/zinc/49/81/13/1271498113.db2.gz JIQWYFQWROFXHB-IXDOHACOSA-N 2 2 372.517 0.708 20 30 FCEDLP C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001576069258 1272827232 /nfs/dbraw/zinc/82/72/32/1272827232.db2.gz AUUIPMNXYQIQIB-QXSJWSMHSA-N 2 2 361.494 0.942 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351097 1282446306 /nfs/dbraw/zinc/44/63/06/1282446306.db2.gz DRBWHNTYKLBPLQ-CJNGLKHVSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351097 1282446310 /nfs/dbraw/zinc/44/63/10/1282446310.db2.gz DRBWHNTYKLBPLQ-CJNGLKHVSA-N 2 2 368.445 0.006 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC001639386770 1282784795 /nfs/dbraw/zinc/78/47/95/1282784795.db2.gz RCZSHRLSTHBFFJ-HNNXBMFYSA-N 2 2 359.478 0.729 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC001639386770 1282784803 /nfs/dbraw/zinc/78/48/03/1282784803.db2.gz RCZSHRLSTHBFFJ-HNNXBMFYSA-N 2 2 359.478 0.729 20 30 FCEDLP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699290144 1289548870 /nfs/dbraw/zinc/54/88/70/1289548870.db2.gz YKCGHOMGVHPFFD-VNHAASDWSA-N 2 2 357.882 0.881 20 30 FCEDLP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699290143 1289549295 /nfs/dbraw/zinc/54/92/95/1289549295.db2.gz YKCGHOMGVHPFFD-JIYQYTEPSA-N 2 2 357.882 0.881 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689190058 1294659240 /nfs/dbraw/zinc/65/92/40/1294659240.db2.gz ZLDNVAVJTLHOHJ-RCCFBDPRSA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689190058 1294659246 /nfs/dbraw/zinc/65/92/46/1294659246.db2.gz ZLDNVAVJTLHOHJ-RCCFBDPRSA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001689190058 1294659253 /nfs/dbraw/zinc/65/92/53/1294659253.db2.gz ZLDNVAVJTLHOHJ-RCCFBDPRSA-N 2 2 362.518 0.968 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001689190058 1294659259 /nfs/dbraw/zinc/65/92/59/1294659259.db2.gz ZLDNVAVJTLHOHJ-RCCFBDPRSA-N 2 2 362.518 0.968 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478407 837654566 /nfs/dbraw/zinc/65/45/66/837654566.db2.gz ZCNSLGXSUUHABY-NUEKZKHPSA-N 2 2 367.881 0.387 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478407 837654567 /nfs/dbraw/zinc/65/45/67/837654567.db2.gz ZCNSLGXSUUHABY-NUEKZKHPSA-N 2 2 367.881 0.387 20 30 FCEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645301 837877398 /nfs/dbraw/zinc/87/73/98/837877398.db2.gz XKCWXMBOHKTSPM-IAOVAPTHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645301 837877403 /nfs/dbraw/zinc/87/74/03/837877403.db2.gz XKCWXMBOHKTSPM-IAOVAPTHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645301 837877411 /nfs/dbraw/zinc/87/74/11/837877411.db2.gz XKCWXMBOHKTSPM-IAOVAPTHSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645301 837877418 /nfs/dbraw/zinc/87/74/18/837877418.db2.gz XKCWXMBOHKTSPM-IAOVAPTHSA-N 2 2 360.483 0.983 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099262275 843995443 /nfs/dbraw/zinc/99/54/43/843995443.db2.gz GSWNTKHDFDXNHF-MCIONIFRSA-N 2 2 357.380 0.425 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276794425 861610531 /nfs/dbraw/zinc/61/05/31/861610531.db2.gz JLIXJAIIFXINPV-CRAIPNDOSA-N 2 2 352.479 0.342 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276794425 861610533 /nfs/dbraw/zinc/61/05/33/861610533.db2.gz JLIXJAIIFXINPV-CRAIPNDOSA-N 2 2 352.479 0.342 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199114 846457205 /nfs/dbraw/zinc/45/72/05/846457205.db2.gz MJHYLEBIUXYMFH-TZMCWYRMSA-N 2 2 358.364 0.889 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974173 854850566 /nfs/dbraw/zinc/85/05/66/854850566.db2.gz LGGBPNAUPVRLFQ-QZTJIDSGSA-N 2 2 351.491 0.718 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974173 854850569 /nfs/dbraw/zinc/85/05/69/854850569.db2.gz LGGBPNAUPVRLFQ-QZTJIDSGSA-N 2 2 351.491 0.718 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218048572 855392394 /nfs/dbraw/zinc/39/23/94/855392394.db2.gz GVAGOPQJXWPNGL-YESZJQIVSA-N 2 2 355.454 0.228 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218048572 855392398 /nfs/dbraw/zinc/39/23/98/855392398.db2.gz GVAGOPQJXWPNGL-YESZJQIVSA-N 2 2 355.454 0.228 20 30 FCEDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2[nH]c(=S)[nH]c(=O)c2N=Cc2ccccc2)C1 ZINC001218664951 855460435 /nfs/dbraw/zinc/46/04/35/855460435.db2.gz WECCTXKKCGTXKX-PXGIIIBRSA-N 2 2 358.427 0.849 20 30 FCEDLP C#CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323045913 869039584 /nfs/dbraw/zinc/03/95/84/869039584.db2.gz XIJYZQDDTQXWIU-INIZCTEOSA-N 2 2 366.531 0.096 20 30 FCEDLP C#CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323045913 869039588 /nfs/dbraw/zinc/03/95/88/869039588.db2.gz XIJYZQDDTQXWIU-INIZCTEOSA-N 2 2 366.531 0.096 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573286223 946799835 /nfs/dbraw/zinc/79/98/35/946799835.db2.gz WPDABZUYHHQOTL-CJNGLKHVSA-N 2 2 368.445 0.040 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573286223 946799844 /nfs/dbraw/zinc/79/98/44/946799844.db2.gz WPDABZUYHHQOTL-CJNGLKHVSA-N 2 2 368.445 0.040 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250544 214088410 /nfs/dbraw/zinc/08/84/10/214088410.db2.gz QUUMWRVIJGHDRA-WBVHZDCISA-N 2 2 357.458 0.959 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250544 214088412 /nfs/dbraw/zinc/08/84/12/214088412.db2.gz QUUMWRVIJGHDRA-WBVHZDCISA-N 2 2 357.458 0.959 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419914147 246365228 /nfs/dbraw/zinc/36/52/28/246365228.db2.gz NOWUNMICSDFMLB-QGZVFWFLSA-N 2 2 369.469 0.318 20 30 FCEDLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423626735 247081212 /nfs/dbraw/zinc/08/12/12/247081212.db2.gz GOINMSIZTYTROS-MAUKXSAKSA-N 2 2 369.469 0.398 20 30 FCEDLP N#CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424152657 247173012 /nfs/dbraw/zinc/17/30/12/247173012.db2.gz ITTUAFMCDVSYGM-HNNXBMFYSA-N 2 2 358.446 0.258 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104067650 208180304 /nfs/dbraw/zinc/18/03/04/208180304.db2.gz DZSPHKUNEXBGOY-IEBWSBKVSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104067650 208180306 /nfs/dbraw/zinc/18/03/06/208180306.db2.gz DZSPHKUNEXBGOY-IEBWSBKVSA-N 2 2 372.469 0.712 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH+](C)C)C3)CC2)o1 ZINC000114477574 208313797 /nfs/dbraw/zinc/31/37/97/208313797.db2.gz JRFLZMQXQNALLV-OAHLLOKOSA-N 2 2 360.462 0.387 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH+](C)C)C3)CC2)o1 ZINC000114477574 208313801 /nfs/dbraw/zinc/31/38/01/208313801.db2.gz JRFLZMQXQNALLV-OAHLLOKOSA-N 2 2 360.462 0.387 20 30 FCEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)N1CCN(c2ncccn2)CC1 ZINC000263261506 229317083 /nfs/dbraw/zinc/31/70/83/229317083.db2.gz SQDOZYYMCHEOAP-UHFFFAOYSA-N 2 2 350.430 0.804 20 30 FCEDLP CN(C(=O)C1(C#N)CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408190381 230011675 /nfs/dbraw/zinc/01/16/75/230011675.db2.gz XVVMBPWQYBEQCP-UHFFFAOYSA-N 2 2 361.490 0.377 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250345937 488516028 /nfs/dbraw/zinc/51/60/28/488516028.db2.gz YCTGJOWHSJAVBW-IXDOHACOSA-N 2 2 365.522 0.877 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250345937 488516030 /nfs/dbraw/zinc/51/60/30/488516030.db2.gz YCTGJOWHSJAVBW-IXDOHACOSA-N 2 2 365.522 0.877 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329357300 488996980 /nfs/dbraw/zinc/99/69/80/488996980.db2.gz HGWFATIOCSEYCE-SFHVURJKSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329357300 488996982 /nfs/dbraw/zinc/99/69/82/488996982.db2.gz HGWFATIOCSEYCE-SFHVURJKSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000329357300 488996984 /nfs/dbraw/zinc/99/69/84/488996984.db2.gz HGWFATIOCSEYCE-SFHVURJKSA-N 2 2 360.506 0.795 20 30 FCEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000329357300 488996986 /nfs/dbraw/zinc/99/69/86/488996986.db2.gz HGWFATIOCSEYCE-SFHVURJKSA-N 2 2 360.506 0.795 20 30 FCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C[C@H](C)O1 ZINC000329942154 489052975 /nfs/dbraw/zinc/05/29/75/489052975.db2.gz VILNHBWNOSQZEO-QXSJWSMHSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C[C@H](C)O1 ZINC000329942154 489052976 /nfs/dbraw/zinc/05/29/76/489052976.db2.gz VILNHBWNOSQZEO-QXSJWSMHSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C[C@H](C)O1 ZINC000329942154 489052977 /nfs/dbraw/zinc/05/29/77/489052977.db2.gz VILNHBWNOSQZEO-QXSJWSMHSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C[C@H](C)O1 ZINC000329942154 489052978 /nfs/dbraw/zinc/05/29/78/489052978.db2.gz VILNHBWNOSQZEO-QXSJWSMHSA-N 2 2 354.495 0.803 20 30 FCEDLP Cn1nncc1CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289409134 489065613 /nfs/dbraw/zinc/06/56/13/489065613.db2.gz PEZPEYNJAANXSE-UHFFFAOYSA-N 2 2 357.462 0.812 20 30 FCEDLP Cn1nncc1CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000289409134 489065616 /nfs/dbraw/zinc/06/56/16/489065616.db2.gz PEZPEYNJAANXSE-UHFFFAOYSA-N 2 2 357.462 0.812 20 30 FCEDLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000330175011 489076294 /nfs/dbraw/zinc/07/62/94/489076294.db2.gz ISRRHRJMDPHRNA-ONIAQPFYSA-N 2 2 368.522 0.977 20 30 FCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330764151 489141275 /nfs/dbraw/zinc/14/12/75/489141275.db2.gz PKFZDWMZNWUJON-WMZOPIPTSA-N 2 2 366.506 0.588 20 30 FCEDLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423012340 490519229 /nfs/dbraw/zinc/51/92/29/490519229.db2.gz KJVZPWVXCLUEIQ-YJBOKZPZSA-N 2 2 369.469 0.398 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851890 490537848 /nfs/dbraw/zinc/53/78/48/490537848.db2.gz VIFBYSJKOXHOCY-IAGOWNOFSA-N 2 2 373.505 0.945 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851890 490537852 /nfs/dbraw/zinc/53/78/52/490537852.db2.gz VIFBYSJKOXHOCY-IAGOWNOFSA-N 2 2 373.505 0.945 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511812345 490629069 /nfs/dbraw/zinc/62/90/69/490629069.db2.gz WKRHTEHOOPAVAL-UHFFFAOYSA-N 2 2 373.501 0.748 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511812345 490629072 /nfs/dbraw/zinc/62/90/72/490629072.db2.gz WKRHTEHOOPAVAL-UHFFFAOYSA-N 2 2 373.501 0.748 20 30 FCEDLP N#C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515033772 490804414 /nfs/dbraw/zinc/80/44/14/490804414.db2.gz IESYQMWNSFCVBC-HOTGVXAUSA-N 2 2 363.487 0.815 20 30 FCEDLP N#C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515033774 490804602 /nfs/dbraw/zinc/80/46/02/490804602.db2.gz IESYQMWNSFCVBC-JKSUJKDBSA-N 2 2 363.487 0.815 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515522139 490830357 /nfs/dbraw/zinc/83/03/57/490830357.db2.gz XBAHMZORNFVHAB-HZPDHXFCSA-N 2 2 374.464 0.950 20 30 FCEDLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000574822655 491522331 /nfs/dbraw/zinc/52/23/31/491522331.db2.gz ASIUHMSKEXIORT-UHFFFAOYSA-N 2 2 368.441 0.830 20 30 FCEDLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000574822655 491522333 /nfs/dbraw/zinc/52/23/33/491522333.db2.gz ASIUHMSKEXIORT-UHFFFAOYSA-N 2 2 368.441 0.830 20 30 FCEDLP C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673594615 493349784 /nfs/dbraw/zinc/34/97/84/493349784.db2.gz BKPPPNMMVZSRDA-QGZVFWFLSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673594615 493349788 /nfs/dbraw/zinc/34/97/88/493349788.db2.gz BKPPPNMMVZSRDA-QGZVFWFLSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCCOCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560875602 491561515 /nfs/dbraw/zinc/56/15/15/491561515.db2.gz RIODHYLOBXQFOU-UHFFFAOYSA-N 2 2 366.506 0.370 20 30 FCEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CC)CC#N)CC1 ZINC000568289787 491567257 /nfs/dbraw/zinc/56/72/57/491567257.db2.gz PNWZKEQTHSFCPU-IYBDPMFKSA-N 2 2 362.478 0.221 20 30 FCEDLP C[C@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000580435574 491731149 /nfs/dbraw/zinc/73/11/49/491731149.db2.gz CCQQXHWIGUDWBQ-HNNXBMFYSA-N 2 2 366.487 0.817 20 30 FCEDLP C[C@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000580435574 491731150 /nfs/dbraw/zinc/73/11/50/491731150.db2.gz CCQQXHWIGUDWBQ-HNNXBMFYSA-N 2 2 366.487 0.817 20 30 FCEDLP O=C1CCCN1[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000580459506 491732501 /nfs/dbraw/zinc/73/25/01/491732501.db2.gz VHZMMWKLFJRATJ-HDICACEKSA-N 2 2 358.486 0.383 20 30 FCEDLP O=C1CCCN1[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000580459506 491732503 /nfs/dbraw/zinc/73/25/03/491732503.db2.gz VHZMMWKLFJRATJ-HDICACEKSA-N 2 2 358.486 0.383 20 30 FCEDLP O=C1CCCN1[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000580459506 491732505 /nfs/dbraw/zinc/73/25/05/491732505.db2.gz VHZMMWKLFJRATJ-HDICACEKSA-N 2 2 358.486 0.383 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591423274 491805297 /nfs/dbraw/zinc/80/52/97/491805297.db2.gz FOIVMEAHNMXWJO-SFHVURJKSA-N 2 2 369.469 0.461 20 30 FCEDLP N#Cc1ncn(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000601122282 491896942 /nfs/dbraw/zinc/89/69/42/491896942.db2.gz ZDUJDKHEJZKBKO-UHFFFAOYSA-N 2 2 356.430 0.651 20 30 FCEDLP N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429261 492287935 /nfs/dbraw/zinc/28/79/35/492287935.db2.gz UODJQIMLCWAWKL-JENIJYKNSA-N 2 2 371.460 0.686 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000632254007 492957912 /nfs/dbraw/zinc/95/79/12/492957912.db2.gz HOQICOZHRUGLLL-DLBZAZTESA-N 2 2 359.536 0.935 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000632254007 492957914 /nfs/dbraw/zinc/95/79/14/492957914.db2.gz HOQICOZHRUGLLL-DLBZAZTESA-N 2 2 359.536 0.935 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668836227 493418382 /nfs/dbraw/zinc/41/83/82/493418382.db2.gz UBPOTSBUPZMUGO-KRWDZBQOSA-N 2 2 364.490 0.076 20 30 FCEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330218873 533832050 /nfs/dbraw/zinc/83/20/50/533832050.db2.gz JTAMMDQRRJZNKO-AWEZNQCLSA-N 2 2 354.499 0.468 20 30 FCEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968794 526364240 /nfs/dbraw/zinc/36/42/40/526364240.db2.gz MDNLMWKCBBRWFR-UHFFFAOYSA-N 2 2 363.487 0.961 20 30 FCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261943278 526368296 /nfs/dbraw/zinc/36/82/96/526368296.db2.gz FCGGXHBILRJZSG-MRXNPFEDSA-N 2 2 361.494 0.087 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262819212 526389177 /nfs/dbraw/zinc/38/91/77/526389177.db2.gz WNILZLMNCMJTJA-ZIAGYGMSSA-N 2 2 363.510 0.798 20 30 FCEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023504060 663636107 /nfs/dbraw/zinc/63/61/07/663636107.db2.gz YWSXJEFMGUNGCM-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023504060 663636108 /nfs/dbraw/zinc/63/61/08/663636108.db2.gz YWSXJEFMGUNGCM-KSZLIROESA-N 2 2 351.491 0.880 20 30 FCEDLP C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211668 669399233 /nfs/dbraw/zinc/39/92/33/669399233.db2.gz LSMGLYOZCJLUMM-GFCCVEGCSA-N 2 2 373.295 0.296 20 30 FCEDLP C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211668 669399238 /nfs/dbraw/zinc/39/92/38/669399238.db2.gz LSMGLYOZCJLUMM-GFCCVEGCSA-N 2 2 373.295 0.296 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC000988507448 1192239608 /nfs/dbraw/zinc/23/96/08/1192239608.db2.gz SXWWMIOFLDEVCB-ZBFHGGJFSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167271179 1168482489 /nfs/dbraw/zinc/48/24/89/1168482489.db2.gz IPMBGBVLLPCRJQ-ZIAGYGMSSA-N 2 2 358.446 0.039 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC1 ZINC001021886953 1170253730 /nfs/dbraw/zinc/25/37/30/1170253730.db2.gz YCSPWXGPEVEQRY-ZWKOTPCHSA-N 2 2 369.469 0.288 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691233177 1170875251 /nfs/dbraw/zinc/87/52/51/1170875251.db2.gz ANVPKWMZHYJZMF-ARFHVFGLSA-N 2 2 357.458 0.069 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)CC1 ZINC000989055291 1192664298 /nfs/dbraw/zinc/66/42/98/1192664298.db2.gz YRFHYMKNQVDJEC-QAPCUYQASA-N 2 2 371.485 0.413 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955313 1183018656 /nfs/dbraw/zinc/01/86/56/1183018656.db2.gz SKIHRFIJNHGCKL-FVQBIDKESA-N 2 2 359.474 0.473 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000981544097 1186432087 /nfs/dbraw/zinc/43/20/87/1186432087.db2.gz FSYHUFVYRFMINR-DOTOQJQBSA-N 2 2 371.485 0.699 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2CC)C1=O ZINC001087797837 1189828571 /nfs/dbraw/zinc/82/85/71/1189828571.db2.gz LJDBGMABJQYPEG-BBWFWOEESA-N 2 2 359.474 0.719 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2CC)C1=O ZINC001087797837 1189828574 /nfs/dbraw/zinc/82/85/74/1189828574.db2.gz LJDBGMABJQYPEG-BBWFWOEESA-N 2 2 359.474 0.719 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001218101725 1224140715 /nfs/dbraw/zinc/14/07/15/1224140715.db2.gz WAFNTJKWGVTPIE-YESZJQIVSA-N 2 2 360.458 0.875 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001218101725 1224140718 /nfs/dbraw/zinc/14/07/18/1224140718.db2.gz WAFNTJKWGVTPIE-YESZJQIVSA-N 2 2 360.458 0.875 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC#CCOC)C[C@@H]32)C1 ZINC001218509668 1224165230 /nfs/dbraw/zinc/16/52/30/1224165230.db2.gz GEVALSFOCTYDIE-GBESFXJTSA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC#CCOC)C[C@@H]32)C1 ZINC001218509668 1224165235 /nfs/dbraw/zinc/16/52/35/1224165235.db2.gz GEVALSFOCTYDIE-GBESFXJTSA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#CCOC)C[C@@H]32)C1 ZINC001218509668 1224165238 /nfs/dbraw/zinc/16/52/38/1224165238.db2.gz GEVALSFOCTYDIE-GBESFXJTSA-N 2 2 363.502 0.670 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#CCOC)C[C@@H]32)C1 ZINC001218509668 1224165242 /nfs/dbraw/zinc/16/52/42/1224165242.db2.gz GEVALSFOCTYDIE-GBESFXJTSA-N 2 2 363.502 0.670 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083472649 1193903957 /nfs/dbraw/zinc/90/39/57/1193903957.db2.gz KABFPAPJYNUSEB-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083472649 1193903959 /nfs/dbraw/zinc/90/39/59/1193903959.db2.gz KABFPAPJYNUSEB-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083472649 1193903963 /nfs/dbraw/zinc/90/39/63/1193903963.db2.gz KABFPAPJYNUSEB-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083472649 1193903966 /nfs/dbraw/zinc/90/39/66/1193903966.db2.gz KABFPAPJYNUSEB-PILAGYSTSA-N 2 2 372.469 0.568 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1O ZINC001077158871 1195280903 /nfs/dbraw/zinc/28/09/03/1195280903.db2.gz CIUCDDDLZPGDJH-HSALFYBXSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1O ZINC001077158871 1195280908 /nfs/dbraw/zinc/28/09/08/1195280908.db2.gz CIUCDDDLZPGDJH-HSALFYBXSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(OC)cc2)C[C@H]1O ZINC001077158871 1195280915 /nfs/dbraw/zinc/28/09/15/1195280915.db2.gz CIUCDDDLZPGDJH-HSALFYBXSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(OC)cc2)C[C@H]1O ZINC001077158871 1195280918 /nfs/dbraw/zinc/28/09/18/1195280918.db2.gz CIUCDDDLZPGDJH-HSALFYBXSA-N 2 2 371.481 0.497 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077159253 1195281982 /nfs/dbraw/zinc/28/19/82/1195281982.db2.gz VPKDVJBPSPSFRB-CEXWTWQISA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077159253 1195281990 /nfs/dbraw/zinc/28/19/90/1195281990.db2.gz VPKDVJBPSPSFRB-CEXWTWQISA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077159253 1195281993 /nfs/dbraw/zinc/28/19/93/1195281993.db2.gz VPKDVJBPSPSFRB-CEXWTWQISA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077159253 1195281997 /nfs/dbraw/zinc/28/19/97/1195281997.db2.gz VPKDVJBPSPSFRB-CEXWTWQISA-N 2 2 363.502 0.452 20 30 FCEDLP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446123 1195586389 /nfs/dbraw/zinc/58/63/89/1195586389.db2.gz DFTQPVNYZLWETF-VQTJNVASSA-N 2 2 358.486 0.978 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001086111947 1198174676 /nfs/dbraw/zinc/17/46/76/1198174676.db2.gz KNVMRQYLUKDTFH-JKJDWNRSSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001086111947 1198174681 /nfs/dbraw/zinc/17/46/81/1198174681.db2.gz KNVMRQYLUKDTFH-JKJDWNRSSA-N 2 2 357.458 0.785 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399549 1200248006 /nfs/dbraw/zinc/24/80/06/1200248006.db2.gz NOKHUYPUPGXHIT-XWSJACJDSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399549 1200248010 /nfs/dbraw/zinc/24/80/10/1200248010.db2.gz NOKHUYPUPGXHIT-XWSJACJDSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399549 1200248014 /nfs/dbraw/zinc/24/80/14/1200248014.db2.gz NOKHUYPUPGXHIT-XWSJACJDSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399549 1200248019 /nfs/dbraw/zinc/24/80/19/1200248019.db2.gz NOKHUYPUPGXHIT-XWSJACJDSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399550 1200248118 /nfs/dbraw/zinc/24/81/18/1200248118.db2.gz NOKHUYPUPGXHIT-YDZRNGNQSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399550 1200248120 /nfs/dbraw/zinc/24/81/20/1200248120.db2.gz NOKHUYPUPGXHIT-YDZRNGNQSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399550 1200248124 /nfs/dbraw/zinc/24/81/24/1200248124.db2.gz NOKHUYPUPGXHIT-YDZRNGNQSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399550 1200248129 /nfs/dbraw/zinc/24/81/29/1200248129.db2.gz NOKHUYPUPGXHIT-YDZRNGNQSA-N 2 2 372.513 0.864 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442956 1200287737 /nfs/dbraw/zinc/28/77/37/1200287737.db2.gz ORCIJPYPCCWKOI-IKGGRYGDSA-N 2 2 358.486 0.333 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442956 1200287746 /nfs/dbraw/zinc/28/77/46/1200287746.db2.gz ORCIJPYPCCWKOI-IKGGRYGDSA-N 2 2 358.486 0.333 20 30 FCEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001109446492 1200291778 /nfs/dbraw/zinc/29/17/78/1200291778.db2.gz RJWCCDKEZGDYKQ-TWMKSMIVSA-N 2 2 363.506 0.810 20 30 FCEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001109446492 1200291786 /nfs/dbraw/zinc/29/17/86/1200291786.db2.gz RJWCCDKEZGDYKQ-TWMKSMIVSA-N 2 2 363.506 0.810 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489251 1200331115 /nfs/dbraw/zinc/33/11/15/1200331115.db2.gz NFCWDVDFPBBINZ-DHXZDTOLSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489251 1200331120 /nfs/dbraw/zinc/33/11/20/1200331120.db2.gz NFCWDVDFPBBINZ-DHXZDTOLSA-N 2 2 365.437 0.807 20 30 FCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843132 1200555893 /nfs/dbraw/zinc/55/58/93/1200555893.db2.gz DDFJEVHJLSYMIV-QYZOEREBSA-N 2 2 363.502 0.860 20 30 FCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843132 1200555894 /nfs/dbraw/zinc/55/58/94/1200555894.db2.gz DDFJEVHJLSYMIV-QYZOEREBSA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858653 1200568276 /nfs/dbraw/zinc/56/82/76/1200568276.db2.gz BRKAEVIHKWJYEC-DFEOGRTESA-N 2 2 362.518 0.824 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858653 1200568280 /nfs/dbraw/zinc/56/82/80/1200568280.db2.gz BRKAEVIHKWJYEC-DFEOGRTESA-N 2 2 362.518 0.824 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CC1 ZINC001219803792 1224622970 /nfs/dbraw/zinc/62/29/70/1224622970.db2.gz GBICUDQYVIBLAW-FGTMMUONSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CC1 ZINC001219803792 1224622976 /nfs/dbraw/zinc/62/29/76/1224622976.db2.gz GBICUDQYVIBLAW-FGTMMUONSA-N 2 2 360.433 0.699 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140021 1201515774 /nfs/dbraw/zinc/51/57/74/1201515774.db2.gz MVZBTNGCYGGBRO-SQNIBIBYSA-N 2 2 369.473 0.894 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130675398 1202752809 /nfs/dbraw/zinc/75/28/09/1202752809.db2.gz SWVWFAPELXMUFP-XLMAVXFVSA-N 2 2 366.469 0.865 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@H+]3C)n2)O1 ZINC001130790242 1202798372 /nfs/dbraw/zinc/79/83/72/1202798372.db2.gz ORKXUQHIKKPHDJ-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)n2)O1 ZINC001130790242 1202798374 /nfs/dbraw/zinc/79/83/74/1202798374.db2.gz ORKXUQHIKKPHDJ-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3C)n2)O1 ZINC001130817447 1202808036 /nfs/dbraw/zinc/80/80/36/1202808036.db2.gz OGSAABYNATUFHS-LSDHHAIUSA-N 2 2 371.445 0.459 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1NCC#N ZINC001131132633 1202869962 /nfs/dbraw/zinc/86/99/62/1202869962.db2.gz OZQJNCNTYMRJBM-QZTJIDSGSA-N 2 2 366.469 0.960 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1NCC#N ZINC001131132633 1202869964 /nfs/dbraw/zinc/86/99/64/1202869964.db2.gz OZQJNCNTYMRJBM-QZTJIDSGSA-N 2 2 366.469 0.960 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316396 1202885420 /nfs/dbraw/zinc/88/54/20/1202885420.db2.gz HMIINNYHVUKMCY-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316396 1202885423 /nfs/dbraw/zinc/88/54/23/1202885423.db2.gz HMIINNYHVUKMCY-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316396 1202885427 /nfs/dbraw/zinc/88/54/27/1202885427.db2.gz HMIINNYHVUKMCY-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316396 1202885428 /nfs/dbraw/zinc/88/54/28/1202885428.db2.gz HMIINNYHVUKMCY-ZACQAIPSSA-N 2 2 362.474 0.457 20 30 FCEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048795 1203148316 /nfs/dbraw/zinc/14/83/16/1203148316.db2.gz BSKUWRJCHBUNDD-VRTBNJGNSA-N 2 2 358.442 0.595 20 30 FCEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048795 1203148318 /nfs/dbraw/zinc/14/83/18/1203148318.db2.gz BSKUWRJCHBUNDD-VRTBNJGNSA-N 2 2 358.442 0.595 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@@]2(C)C1 ZINC001091748499 1204841484 /nfs/dbraw/zinc/84/14/84/1204841484.db2.gz OZCPPNXFTDLLIE-KPFFTGBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@@]2(C)C1 ZINC001091748499 1204841485 /nfs/dbraw/zinc/84/14/85/1204841485.db2.gz OZCPPNXFTDLLIE-KPFFTGBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccn(C)n3)C[C@@]2(C)C1 ZINC001091748499 1204841486 /nfs/dbraw/zinc/84/14/86/1204841486.db2.gz OZCPPNXFTDLLIE-KPFFTGBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccn(C)n3)C[C@@]2(C)C1 ZINC001091748499 1204841488 /nfs/dbraw/zinc/84/14/88/1204841488.db2.gz OZCPPNXFTDLLIE-KPFFTGBYSA-N 2 2 355.486 0.798 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092136928 1205177904 /nfs/dbraw/zinc/17/79/04/1205177904.db2.gz BYMUNABXBMZMFG-VCBZYWHSSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092136928 1205177905 /nfs/dbraw/zinc/17/79/05/1205177905.db2.gz BYMUNABXBMZMFG-VCBZYWHSSA-N 2 2 357.458 0.519 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(CC)no2)C[C@H]1C ZINC001092690071 1205348610 /nfs/dbraw/zinc/34/86/10/1205348610.db2.gz ZOEOTEFBAHLALU-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(CC)no2)C[C@H]1C ZINC001092690071 1205348611 /nfs/dbraw/zinc/34/86/11/1205348611.db2.gz ZOEOTEFBAHLALU-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(CC)no2)C[C@H]1C ZINC001092690071 1205348612 /nfs/dbraw/zinc/34/86/12/1205348612.db2.gz ZOEOTEFBAHLALU-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(CC)no2)C[C@H]1C ZINC001092690071 1205348613 /nfs/dbraw/zinc/34/86/13/1205348613.db2.gz ZOEOTEFBAHLALU-OAGGEKHMSA-N 2 2 359.474 0.914 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001093287330 1206073183 /nfs/dbraw/zinc/07/31/83/1206073183.db2.gz KYRRHAHMMPMRGL-BFYDXBDKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)C1=O ZINC001093742525 1206114315 /nfs/dbraw/zinc/11/43/15/1206114315.db2.gz AIFLPJZMMDZQJD-BZUAXINKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001094318939 1206214300 /nfs/dbraw/zinc/21/43/00/1206214300.db2.gz GRRPSXMIAMKPRU-HZPDHXFCSA-N 2 2 355.446 0.864 20 30 FCEDLP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360274 1206304046 /nfs/dbraw/zinc/30/40/46/1206304046.db2.gz ZMHUXGMXRGHEQC-ARFHVFGLSA-N 2 2 359.474 0.538 20 30 FCEDLP C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185963261 1206490093 /nfs/dbraw/zinc/49/00/93/1206490093.db2.gz PUNTWCKAXBAIEU-DJIMGWMZSA-N 2 2 362.478 0.436 20 30 FCEDLP C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185963261 1206490094 /nfs/dbraw/zinc/49/00/94/1206490094.db2.gz PUNTWCKAXBAIEU-DJIMGWMZSA-N 2 2 362.478 0.436 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405143 1207454194 /nfs/dbraw/zinc/45/41/94/1207454194.db2.gz AUPLGQSJYJFBHK-MAUKXSAKSA-N 2 2 365.437 0.538 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405143 1207454196 /nfs/dbraw/zinc/45/41/96/1207454196.db2.gz AUPLGQSJYJFBHK-MAUKXSAKSA-N 2 2 365.437 0.538 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189312877 1207532543 /nfs/dbraw/zinc/53/25/43/1207532543.db2.gz YGPQPZYZJSTZEE-DLBZAZTESA-N 2 2 371.485 0.679 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189312877 1207532550 /nfs/dbraw/zinc/53/25/50/1207532550.db2.gz YGPQPZYZJSTZEE-DLBZAZTESA-N 2 2 371.485 0.679 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189952082 1207627336 /nfs/dbraw/zinc/62/73/36/1207627336.db2.gz ALHLBNVQIJXJQZ-FUHWJXTLSA-N 2 2 371.485 0.994 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189952082 1207627339 /nfs/dbraw/zinc/62/73/39/1207627339.db2.gz ALHLBNVQIJXJQZ-FUHWJXTLSA-N 2 2 371.485 0.994 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681973 1225010315 /nfs/dbraw/zinc/01/03/15/1225010315.db2.gz SQAJZQXCAKYGMQ-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220681973 1225010324 /nfs/dbraw/zinc/01/03/24/1225010324.db2.gz SQAJZQXCAKYGMQ-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220681973 1225010334 /nfs/dbraw/zinc/01/03/34/1225010334.db2.gz SQAJZQXCAKYGMQ-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220681973 1225010344 /nfs/dbraw/zinc/01/03/44/1225010344.db2.gz SQAJZQXCAKYGMQ-BBWFWOEESA-N 2 2 368.522 0.303 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487126 1207688123 /nfs/dbraw/zinc/68/81/23/1207688123.db2.gz RMGGYFGYZJYODA-IXDOHACOSA-N 2 2 357.458 0.334 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487126 1207688127 /nfs/dbraw/zinc/68/81/27/1207688127.db2.gz RMGGYFGYZJYODA-IXDOHACOSA-N 2 2 357.458 0.334 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708331 1208036576 /nfs/dbraw/zinc/03/65/76/1208036576.db2.gz KKZUEJGYIBFFRX-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708331 1208036578 /nfs/dbraw/zinc/03/65/78/1208036578.db2.gz KKZUEJGYIBFFRX-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001197529090 1208170465 /nfs/dbraw/zinc/17/04/65/1208170465.db2.gz YOCDKVXFTJGBER-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001197529090 1208170469 /nfs/dbraw/zinc/17/04/69/1208170469.db2.gz YOCDKVXFTJGBER-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001197529090 1208170472 /nfs/dbraw/zinc/17/04/72/1208170472.db2.gz YOCDKVXFTJGBER-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001197529090 1208170475 /nfs/dbraw/zinc/17/04/75/1208170475.db2.gz YOCDKVXFTJGBER-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197528489 1208171008 /nfs/dbraw/zinc/17/10/08/1208171008.db2.gz LMCQJWYKNIZBJO-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197528489 1208171011 /nfs/dbraw/zinc/17/10/11/1208171011.db2.gz LMCQJWYKNIZBJO-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197528489 1208171016 /nfs/dbraw/zinc/17/10/16/1208171016.db2.gz LMCQJWYKNIZBJO-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197528489 1208171020 /nfs/dbraw/zinc/17/10/20/1208171020.db2.gz LMCQJWYKNIZBJO-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C#C[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCO1 ZINC000775786525 1208193217 /nfs/dbraw/zinc/19/32/17/1208193217.db2.gz XVRXVHKKDSSSMW-QZTJIDSGSA-N 2 2 363.502 0.908 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744315 1208285320 /nfs/dbraw/zinc/28/53/20/1208285320.db2.gz PXINJOSURQJQFS-BRWVUGGUSA-N 2 2 366.506 0.105 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744315 1208285323 /nfs/dbraw/zinc/28/53/23/1208285323.db2.gz PXINJOSURQJQFS-BRWVUGGUSA-N 2 2 366.506 0.105 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001691705791 1208437941 /nfs/dbraw/zinc/43/79/41/1208437941.db2.gz ZIHYVHNKUHKTME-QAPCUYQASA-N 2 2 371.485 0.623 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001691705791 1208437944 /nfs/dbraw/zinc/43/79/44/1208437944.db2.gz ZIHYVHNKUHKTME-QAPCUYQASA-N 2 2 371.485 0.623 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220915034 1225138077 /nfs/dbraw/zinc/13/80/77/1225138077.db2.gz KECZBIUDUSTVFE-UHFFFAOYSA-N 2 2 355.442 0.360 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110658032 1209575113 /nfs/dbraw/zinc/57/51/13/1209575113.db2.gz JUXSEIBCVAFJMV-MLHJIOFPSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110658032 1209575116 /nfs/dbraw/zinc/57/51/16/1209575116.db2.gz JUXSEIBCVAFJMV-MLHJIOFPSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658032 1209575118 /nfs/dbraw/zinc/57/51/18/1209575118.db2.gz JUXSEIBCVAFJMV-MLHJIOFPSA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658032 1209575120 /nfs/dbraw/zinc/57/51/20/1209575120.db2.gz JUXSEIBCVAFJMV-MLHJIOFPSA-N 2 2 362.518 0.988 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632208 1209636893 /nfs/dbraw/zinc/63/68/93/1209636893.db2.gz GPHAXTIZFLWZLK-SQNIBIBYSA-N 2 2 362.518 0.777 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632208 1209636895 /nfs/dbraw/zinc/63/68/95/1209636895.db2.gz GPHAXTIZFLWZLK-SQNIBIBYSA-N 2 2 362.518 0.777 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979387 1225171942 /nfs/dbraw/zinc/17/19/42/1225171942.db2.gz KRXHLWITLCMXNK-BBWFWOEESA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979387 1225171950 /nfs/dbraw/zinc/17/19/50/1225171950.db2.gz KRXHLWITLCMXNK-BBWFWOEESA-N 2 2 366.506 0.057 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202551733 1210636783 /nfs/dbraw/zinc/63/67/83/1210636783.db2.gz DFNYMPJFVNZBKZ-FVQBIDKESA-N 2 2 359.474 0.795 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)C1 ZINC000884055706 1210712153 /nfs/dbraw/zinc/71/21/53/1210712153.db2.gz WXCOVZBWMZFKEF-KRWDZBQOSA-N 2 2 363.506 0.374 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)C1 ZINC000884055706 1210712156 /nfs/dbraw/zinc/71/21/56/1210712156.db2.gz WXCOVZBWMZFKEF-KRWDZBQOSA-N 2 2 363.506 0.374 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000884098289 1210714772 /nfs/dbraw/zinc/71/47/72/1210714772.db2.gz FYLGYBUUAOFKEC-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000884098289 1210714774 /nfs/dbraw/zinc/71/47/74/1210714774.db2.gz FYLGYBUUAOFKEC-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000884407500 1210733493 /nfs/dbraw/zinc/73/34/93/1210733493.db2.gz FHHUNWQHZCQOKQ-KRWDZBQOSA-N 2 2 364.490 0.265 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000884407500 1210733495 /nfs/dbraw/zinc/73/34/95/1210733495.db2.gz FHHUNWQHZCQOKQ-KRWDZBQOSA-N 2 2 364.490 0.265 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C[NH+]2CC[C@H](O)C2)cc1C#N ZINC001275801264 1211285873 /nfs/dbraw/zinc/28/58/73/1211285873.db2.gz NPDKEMGZIRDZRS-BZSNNMDCSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C[NH+]2CC[C@H](O)C2)cc1C#N ZINC001275801264 1211285874 /nfs/dbraw/zinc/28/58/74/1211285874.db2.gz NPDKEMGZIRDZRS-BZSNNMDCSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)C[N@@H+]2CC[C@H](O)C2)cc1C#N ZINC001275801264 1211285879 /nfs/dbraw/zinc/28/58/79/1211285879.db2.gz NPDKEMGZIRDZRS-BZSNNMDCSA-N 2 2 357.458 0.139 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)C[N@H+]2CC[C@H](O)C2)cc1C#N ZINC001275801264 1211285882 /nfs/dbraw/zinc/28/58/82/1211285882.db2.gz NPDKEMGZIRDZRS-BZSNNMDCSA-N 2 2 357.458 0.139 20 30 FCEDLP N#Cc1ccc(NCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)nc1 ZINC000927166832 1211565287 /nfs/dbraw/zinc/56/52/87/1211565287.db2.gz ZYIREZVWZLPOLY-UHFFFAOYSA-N 2 2 358.490 0.751 20 30 FCEDLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000931872582 1211775277 /nfs/dbraw/zinc/77/52/77/1211775277.db2.gz OKGMSNKONARZEX-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000931872582 1211775283 /nfs/dbraw/zinc/77/52/83/1211775283.db2.gz OKGMSNKONARZEX-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000931872582 1211775292 /nfs/dbraw/zinc/77/52/92/1211775292.db2.gz OKGMSNKONARZEX-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000931872582 1211775297 /nfs/dbraw/zinc/77/52/97/1211775297.db2.gz OKGMSNKONARZEX-SFHVURJKSA-N 2 2 369.469 0.413 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150703 1211900702 /nfs/dbraw/zinc/90/07/02/1211900702.db2.gz RYRKXOHIEJNFOT-DDBAPUKQSA-N 2 2 371.485 0.831 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150703 1211900707 /nfs/dbraw/zinc/90/07/07/1211900707.db2.gz RYRKXOHIEJNFOT-DDBAPUKQSA-N 2 2 371.485 0.831 20 30 FCEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962776 1212203064 /nfs/dbraw/zinc/20/30/64/1212203064.db2.gz ODDWYSYRYRNZJG-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962776 1212203067 /nfs/dbraw/zinc/20/30/67/1212203067.db2.gz ODDWYSYRYRNZJG-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000949864646 1212474038 /nfs/dbraw/zinc/47/40/38/1212474038.db2.gz AMWCYSBSBZGYPB-RDTXWAMCSA-N 2 2 371.485 0.569 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000950648656 1212622396 /nfs/dbraw/zinc/62/23/96/1212622396.db2.gz WQUPDKSNGYGZFO-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000950648656 1212622400 /nfs/dbraw/zinc/62/24/00/1212622400.db2.gz WQUPDKSNGYGZFO-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615663 1225399377 /nfs/dbraw/zinc/39/93/77/1225399377.db2.gz SHJVZWKNFGZYNL-FGTMMUONSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615663 1225399382 /nfs/dbraw/zinc/39/93/82/1225399382.db2.gz SHJVZWKNFGZYNL-FGTMMUONSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615663 1225399388 /nfs/dbraw/zinc/39/93/88/1225399388.db2.gz SHJVZWKNFGZYNL-FGTMMUONSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615663 1225399393 /nfs/dbraw/zinc/39/93/93/1225399393.db2.gz SHJVZWKNFGZYNL-FGTMMUONSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001011314828 1213864080 /nfs/dbraw/zinc/86/40/80/1213864080.db2.gz NEYQBIVAOLJENE-ZACQAIPSSA-N 2 2 369.469 0.292 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001011314828 1213864083 /nfs/dbraw/zinc/86/40/83/1213864083.db2.gz NEYQBIVAOLJENE-ZACQAIPSSA-N 2 2 369.469 0.292 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889779 1225523739 /nfs/dbraw/zinc/52/37/39/1225523739.db2.gz PSLIEFFODLKVQI-RCCFBDPRSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889779 1225523744 /nfs/dbraw/zinc/52/37/44/1225523744.db2.gz PSLIEFFODLKVQI-RCCFBDPRSA-N 2 2 360.502 0.389 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952220 1225549882 /nfs/dbraw/zinc/54/98/82/1225549882.db2.gz SSCUXYDZHBJDRD-RHSMWYFYSA-N 2 2 357.458 0.596 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952220 1225549888 /nfs/dbraw/zinc/54/98/88/1225549888.db2.gz SSCUXYDZHBJDRD-RHSMWYFYSA-N 2 2 357.458 0.596 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013906 1225673904 /nfs/dbraw/zinc/67/39/04/1225673904.db2.gz ULLRLXRUGOTWAN-RYRKJORJSA-N 2 2 371.485 0.671 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013906 1225673906 /nfs/dbraw/zinc/67/39/06/1225673906.db2.gz ULLRLXRUGOTWAN-RYRKJORJSA-N 2 2 371.485 0.671 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963500 1216870535 /nfs/dbraw/zinc/87/05/35/1216870535.db2.gz JTKVYAITTJGEDT-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963500 1216870536 /nfs/dbraw/zinc/87/05/36/1216870536.db2.gz JTKVYAITTJGEDT-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006355 1216893798 /nfs/dbraw/zinc/89/37/98/1216893798.db2.gz RNHSSYCBTWRGRF-IKGGRYGDSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006355 1216893802 /nfs/dbraw/zinc/89/38/02/1216893802.db2.gz RNHSSYCBTWRGRF-IKGGRYGDSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006355 1216893804 /nfs/dbraw/zinc/89/38/04/1216893804.db2.gz RNHSSYCBTWRGRF-IKGGRYGDSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006355 1216893806 /nfs/dbraw/zinc/89/38/06/1216893806.db2.gz RNHSSYCBTWRGRF-IKGGRYGDSA-N 2 2 362.478 0.305 20 30 FCEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046063225 1217993747 /nfs/dbraw/zinc/99/37/47/1217993747.db2.gz MZMUXZBWYMLNIU-KZNAEPCWSA-N 2 2 355.486 0.765 20 30 FCEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046063225 1217993750 /nfs/dbraw/zinc/99/37/50/1217993750.db2.gz MZMUXZBWYMLNIU-KZNAEPCWSA-N 2 2 355.486 0.765 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CC1 ZINC001096608279 1218576132 /nfs/dbraw/zinc/57/61/32/1218576132.db2.gz ULFCENPCCGWPRP-SQNIBIBYSA-N 2 2 358.486 0.332 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)n2)CC1 ZINC001096608234 1218576214 /nfs/dbraw/zinc/57/62/14/1218576214.db2.gz RGJCZZPMPXAWJS-QYZOEREBSA-N 2 2 355.486 0.987 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212655 1225866389 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/nfs/dbraw/zinc/25/62/79/1220256279.db2.gz AHEVWQZITCYRBE-VCBZYWHSSA-N 2 2 370.457 0.181 20 30 FCEDLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101267333 1220256552 /nfs/dbraw/zinc/25/65/52/1220256552.db2.gz AHEVWQZITCYRBE-CLCXKQKWSA-N 2 2 370.457 0.181 20 30 FCEDLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101267333 1220256555 /nfs/dbraw/zinc/25/65/55/1220256555.db2.gz AHEVWQZITCYRBE-CLCXKQKWSA-N 2 2 370.457 0.181 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@]2(C)C1 ZINC001101349749 1220297851 /nfs/dbraw/zinc/29/78/51/1220297851.db2.gz BLWBENGUPDECSI-AYBZRNKSSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@]2(C)C1 ZINC001101349749 1220297854 /nfs/dbraw/zinc/29/78/54/1220297854.db2.gz BLWBENGUPDECSI-AYBZRNKSSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@]2(C)C1 ZINC001101349749 1220297857 /nfs/dbraw/zinc/29/78/57/1220297857.db2.gz BLWBENGUPDECSI-AYBZRNKSSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@]2(C)C1 ZINC001101349749 1220297859 /nfs/dbraw/zinc/29/78/59/1220297859.db2.gz BLWBENGUPDECSI-AYBZRNKSSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378794 1220309975 /nfs/dbraw/zinc/30/99/75/1220309975.db2.gz GABSFDHTUUHTBT-UZLBHIALSA-N 2 2 371.485 0.536 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378794 1220309978 /nfs/dbraw/zinc/30/99/78/1220309978.db2.gz GABSFDHTUUHTBT-UZLBHIALSA-N 2 2 371.485 0.536 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102205082 1220549726 /nfs/dbraw/zinc/54/97/26/1220549726.db2.gz KMTOMCJWCATNHF-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102205082 1220549732 /nfs/dbraw/zinc/54/97/32/1220549732.db2.gz KMTOMCJWCATNHF-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616028 1220735577 /nfs/dbraw/zinc/73/55/77/1220735577.db2.gz DLFIEJQREMQCNX-IAGOWNOFSA-N 2 2 361.490 0.992 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616028 1220735583 /nfs/dbraw/zinc/73/55/83/1220735583.db2.gz DLFIEJQREMQCNX-IAGOWNOFSA-N 2 2 361.490 0.992 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807924 1221121162 /nfs/dbraw/zinc/12/11/62/1221121162.db2.gz NFKCHLGYQPAIOH-KXBFYZLASA-N 2 2 366.425 0.558 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807924 1221121166 /nfs/dbraw/zinc/12/11/66/1221121166.db2.gz NFKCHLGYQPAIOH-KXBFYZLASA-N 2 2 366.425 0.558 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915285 1221165499 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/nfs/dbraw/zinc/46/80/15/1222468015.db2.gz GMGZXOBDTWSIMW-ROUUACIJSA-N 2 2 358.486 0.194 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000830236881 1222468021 /nfs/dbraw/zinc/46/80/21/1222468021.db2.gz GMGZXOBDTWSIMW-ROUUACIJSA-N 2 2 358.486 0.194 20 30 FCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711519 1226167110 /nfs/dbraw/zinc/16/71/10/1226167110.db2.gz JKWCCPDCYXXEMF-IEBWSBKVSA-N 2 2 360.458 0.351 20 30 FCEDLP C#CCOC[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711519 1226167112 /nfs/dbraw/zinc/16/71/12/1226167112.db2.gz JKWCCPDCYXXEMF-IEBWSBKVSA-N 2 2 360.458 0.351 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277712371 1226167905 /nfs/dbraw/zinc/16/79/05/1226167905.db2.gz OYAAOHZYVKURTB-DLBZAZTESA-N 2 2 360.458 0.112 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277712374 1226168008 /nfs/dbraw/zinc/16/80/08/1226168008.db2.gz OYAAOHZYVKURTB-IRXDYDNUSA-N 2 2 360.458 0.112 20 30 FCEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001207001472 1223402928 /nfs/dbraw/zinc/40/29/28/1223402928.db2.gz ZXMYIMDWNTZAEZ-QLFBSQMISA-N 2 2 360.462 0.473 20 30 FCEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001207001472 1223402932 /nfs/dbraw/zinc/40/29/32/1223402932.db2.gz ZXMYIMDWNTZAEZ-QLFBSQMISA-N 2 2 360.462 0.473 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322770 1223783938 /nfs/dbraw/zinc/78/39/38/1223783938.db2.gz QSSKNVXEJIFQKO-BRWVUGGUSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322770 1223783941 /nfs/dbraw/zinc/78/39/41/1223783941.db2.gz QSSKNVXEJIFQKO-BRWVUGGUSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322770 1223783945 /nfs/dbraw/zinc/78/39/45/1223783945.db2.gz QSSKNVXEJIFQKO-BRWVUGGUSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322770 1223783947 /nfs/dbraw/zinc/78/39/47/1223783947.db2.gz QSSKNVXEJIFQKO-BRWVUGGUSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440538 1223798726 /nfs/dbraw/zinc/79/87/26/1223798726.db2.gz TWHIXIGVFLDVJJ-KBAYOESNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440538 1223798728 /nfs/dbraw/zinc/79/87/28/1223798728.db2.gz TWHIXIGVFLDVJJ-KBAYOESNSA-N 2 2 362.474 0.772 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921868 1223873092 /nfs/dbraw/zinc/87/30/92/1223873092.db2.gz KQGWDGUNQYRTDT-GVDBMIGSSA-N 2 2 366.506 0.369 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921868 1223873093 /nfs/dbraw/zinc/87/30/93/1223873093.db2.gz KQGWDGUNQYRTDT-GVDBMIGSSA-N 2 2 366.506 0.369 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213932176 1223875819 /nfs/dbraw/zinc/87/58/19/1223875819.db2.gz YFQHVXKFYIBHDF-GUDVDZBRSA-N 2 2 365.518 0.962 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213932176 1223875821 /nfs/dbraw/zinc/87/58/21/1223875821.db2.gz YFQHVXKFYIBHDF-GUDVDZBRSA-N 2 2 365.518 0.962 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812249 1223944722 /nfs/dbraw/zinc/94/47/22/1223944722.db2.gz ZQCGAUOZHMZNPT-GDBMZVCRSA-N 2 2 360.462 0.541 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812249 1223944726 /nfs/dbraw/zinc/94/47/26/1223944726.db2.gz ZQCGAUOZHMZNPT-GDBMZVCRSA-N 2 2 360.462 0.541 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214892645 1223952448 /nfs/dbraw/zinc/95/24/48/1223952448.db2.gz QXHBGRARSKHYEZ-KCYZZUKISA-N 2 2 372.473 0.712 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214892645 1223952450 /nfs/dbraw/zinc/95/24/50/1223952450.db2.gz QXHBGRARSKHYEZ-KCYZZUKISA-N 2 2 372.473 0.712 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216182352 1224037882 /nfs/dbraw/zinc/03/78/82/1224037882.db2.gz SDPFISWFCGNRCR-CRAIPNDOSA-N 2 2 365.437 0.672 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331773 1245708363 /nfs/dbraw/zinc/70/83/63/1245708363.db2.gz FZTLKMISKRDTDR-IRXDYDNUSA-N 2 2 358.442 0.194 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331773 1245708373 /nfs/dbraw/zinc/70/83/73/1245708373.db2.gz FZTLKMISKRDTDR-IRXDYDNUSA-N 2 2 358.442 0.194 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579034 1245730808 /nfs/dbraw/zinc/73/08/08/1245730808.db2.gz MAWMNSCJHWJVBT-KDURUIRLSA-N 2 2 372.513 0.584 20 30 FCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579034 1245730812 /nfs/dbraw/zinc/73/08/12/1245730812.db2.gz MAWMNSCJHWJVBT-KDURUIRLSA-N 2 2 372.513 0.584 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CCCC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579034 1245730820 /nfs/dbraw/zinc/73/08/20/1245730820.db2.gz MAWMNSCJHWJVBT-KDURUIRLSA-N 2 2 372.513 0.584 20 30 FCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CCCC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579034 1245730825 /nfs/dbraw/zinc/73/08/25/1245730825.db2.gz MAWMNSCJHWJVBT-KDURUIRLSA-N 2 2 372.513 0.584 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000994203062 1250280994 /nfs/dbraw/zinc/28/09/94/1250280994.db2.gz OAOGZYUNWRYGFY-NXHRZFHOSA-N 2 2 371.485 0.500 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000994203062 1250281007 /nfs/dbraw/zinc/28/10/07/1250281007.db2.gz OAOGZYUNWRYGFY-NXHRZFHOSA-N 2 2 371.485 0.500 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C ZINC000997769673 1251698583 /nfs/dbraw/zinc/69/85/83/1251698583.db2.gz NRAMHUFENYNBAR-FPSMNIFISA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C ZINC000997769673 1251698592 /nfs/dbraw/zinc/69/85/92/1251698592.db2.gz NRAMHUFENYNBAR-FPSMNIFISA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC1 ZINC000999736629 1252185105 /nfs/dbraw/zinc/18/51/05/1252185105.db2.gz YILPOAJQQCFWON-IKGGRYGDSA-N 2 2 369.469 0.546 20 30 FCEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001668493 1252288443 /nfs/dbraw/zinc/28/84/43/1252288443.db2.gz HNPJYCFKXVHNKP-MOPGFXCFSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001003366319 1252875730 /nfs/dbraw/zinc/87/57/30/1252875730.db2.gz WRCXUINUJTWZOW-KURKYZTESA-N 2 2 369.469 0.546 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C ZINC001003676802 1253056481 /nfs/dbraw/zinc/05/64/81/1253056481.db2.gz NRAMHUFENYNBAR-ZBRFXRBCSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC)[NH+](C)C ZINC001003676802 1253056484 /nfs/dbraw/zinc/05/64/84/1253056484.db2.gz NRAMHUFENYNBAR-ZBRFXRBCSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001003677562 1253057563 /nfs/dbraw/zinc/05/75/63/1253057563.db2.gz VKEOECPFEXEZJS-BDXSIMOUSA-N 2 2 358.486 0.428 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001003677562 1253057570 /nfs/dbraw/zinc/05/75/70/1253057570.db2.gz VKEOECPFEXEZJS-BDXSIMOUSA-N 2 2 358.486 0.428 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC1 ZINC001077612577 1254776230 /nfs/dbraw/zinc/77/62/30/1254776230.db2.gz LIZBGEQYDMNMGO-QZTJIDSGSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC1 ZINC001077612577 1254776234 /nfs/dbraw/zinc/77/62/34/1254776234.db2.gz LIZBGEQYDMNMGO-QZTJIDSGSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001077778594 1254981664 /nfs/dbraw/zinc/98/16/64/1254981664.db2.gz RVHLCKOCIGTNTG-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001077778594 1254981675 /nfs/dbraw/zinc/98/16/75/1254981675.db2.gz RVHLCKOCIGTNTG-RTBURBONSA-N 2 2 356.470 0.951 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001079878397 1255647901 /nfs/dbraw/zinc/64/79/01/1255647901.db2.gz XAMIVZWSYLFHCN-NXHRZFHOSA-N 2 2 356.470 0.419 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001079878397 1255647905 /nfs/dbraw/zinc/64/79/05/1255647905.db2.gz XAMIVZWSYLFHCN-NXHRZFHOSA-N 2 2 356.470 0.419 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001079878397 1255647915 /nfs/dbraw/zinc/64/79/15/1255647915.db2.gz XAMIVZWSYLFHCN-NXHRZFHOSA-N 2 2 356.470 0.419 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001079878397 1255647919 /nfs/dbraw/zinc/64/79/19/1255647919.db2.gz XAMIVZWSYLFHCN-NXHRZFHOSA-N 2 2 356.470 0.419 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2OC)CC1 ZINC001082384454 1256735947 /nfs/dbraw/zinc/73/59/47/1256735947.db2.gz XKKOWQWEZCXYLR-SJLPKXTDSA-N 2 2 360.458 0.644 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2OC)CC1 ZINC001082384454 1256735951 /nfs/dbraw/zinc/73/59/51/1256735951.db2.gz XKKOWQWEZCXYLR-SJLPKXTDSA-N 2 2 360.458 0.644 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082458217 1256770485 /nfs/dbraw/zinc/77/04/85/1256770485.db2.gz CLZAMMARECKHLY-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082458217 1256770489 /nfs/dbraw/zinc/77/04/89/1256770489.db2.gz CLZAMMARECKHLY-FSPWUOQZSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@@H]2O)CC1 ZINC001084090174 1257915340 /nfs/dbraw/zinc/91/53/40/1257915340.db2.gz NTCIHSQYTFDTDI-SJORKVTESA-N 2 2 360.458 0.298 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@H]2O)CC1 ZINC001084090174 1257915343 /nfs/dbraw/zinc/91/53/43/1257915343.db2.gz NTCIHSQYTFDTDI-SJORKVTESA-N 2 2 360.458 0.298 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250477 1257988120 /nfs/dbraw/zinc/98/81/20/1257988120.db2.gz IDNJQJOOUKYNKM-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250477 1257988126 /nfs/dbraw/zinc/98/81/26/1257988126.db2.gz IDNJQJOOUKYNKM-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250477 1257988128 /nfs/dbraw/zinc/98/81/28/1257988128.db2.gz IDNJQJOOUKYNKM-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084250477 1257988132 /nfs/dbraw/zinc/98/81/32/1257988132.db2.gz IDNJQJOOUKYNKM-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnn4C)C[C@H]32)CC1 ZINC001084850918 1258400235 /nfs/dbraw/zinc/40/02/35/1258400235.db2.gz CVXMLDMKKKYRPC-IEBWSBKVSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccnn4C)C[C@H]32)CC1 ZINC001084850918 1258400239 /nfs/dbraw/zinc/40/02/39/1258400239.db2.gz CVXMLDMKKKYRPC-IEBWSBKVSA-N 2 2 355.486 0.798 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]32)C1=O ZINC001085083346 1258577814 /nfs/dbraw/zinc/57/78/14/1258577814.db2.gz UCEQBTZELZJFGH-SZMVWBNQSA-N 2 2 371.485 0.970 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]32)C1=O ZINC001085083346 1258577821 /nfs/dbraw/zinc/57/78/21/1258577821.db2.gz UCEQBTZELZJFGH-SZMVWBNQSA-N 2 2 371.485 0.970 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725907 1258804010 /nfs/dbraw/zinc/80/40/10/1258804010.db2.gz RSKFETYXMSGGEK-SYNHAJSKSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725907 1258804022 /nfs/dbraw/zinc/80/40/22/1258804022.db2.gz RSKFETYXMSGGEK-SYNHAJSKSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725907 1258804028 /nfs/dbraw/zinc/80/40/28/1258804028.db2.gz RSKFETYXMSGGEK-SYNHAJSKSA-N 2 2 371.485 0.910 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725907 1258804037 /nfs/dbraw/zinc/80/40/37/1258804037.db2.gz RSKFETYXMSGGEK-SYNHAJSKSA-N 2 2 371.485 0.910 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100156207 1258906047 /nfs/dbraw/zinc/90/60/47/1258906047.db2.gz UUVZEZRJVNKQIG-XUVXKRRUSA-N 2 2 371.481 0.933 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100156207 1258906055 /nfs/dbraw/zinc/90/60/55/1258906055.db2.gz UUVZEZRJVNKQIG-XUVXKRRUSA-N 2 2 371.481 0.933 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705277 1258944158 /nfs/dbraw/zinc/94/41/58/1258944158.db2.gz ZUUMIBMGYCWLBM-HUUCEWRRSA-N 2 2 360.462 0.398 20 30 FCEDLP CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127997058 1259190624 /nfs/dbraw/zinc/19/06/24/1259190624.db2.gz ITTGKTNXSSGSGE-BZUAXINKSA-N 2 2 358.490 0.552 20 30 FCEDLP CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127997058 1259190625 /nfs/dbraw/zinc/19/06/25/1259190625.db2.gz ITTGKTNXSSGSGE-BZUAXINKSA-N 2 2 358.490 0.552 20 30 FCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001251843620 1259766559 /nfs/dbraw/zinc/76/65/59/1259766559.db2.gz KWFLPHCXGRCLMO-KRWDZBQOSA-N 2 2 360.458 0.056 20 30 FCEDLP C#CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001251843620 1259766563 /nfs/dbraw/zinc/76/65/63/1259766563.db2.gz KWFLPHCXGRCLMO-KRWDZBQOSA-N 2 2 360.458 0.056 20 30 FCEDLP C#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001336697279 1260204352 /nfs/dbraw/zinc/20/43/52/1260204352.db2.gz ABBFLEMILMSOEL-KRWDZBQOSA-N 2 2 354.454 0.891 20 30 FCEDLP C#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001336697279 1260204357 /nfs/dbraw/zinc/20/43/57/1260204357.db2.gz ABBFLEMILMSOEL-KRWDZBQOSA-N 2 2 354.454 0.891 20 30 FCEDLP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001336785657 1260222569 /nfs/dbraw/zinc/22/25/69/1260222569.db2.gz QSINCLYQUYTMTD-ZWKOTPCHSA-N 2 2 358.442 0.114 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2C)CC1 ZINC001338034301 1260542102 /nfs/dbraw/zinc/54/21/02/1260542102.db2.gz VFWSOGNESDCJRP-KRWDZBQOSA-N 2 2 358.490 0.886 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[N@H+]3C3CCOCC3)n2C)CC1 ZINC001338034301 1260542108 /nfs/dbraw/zinc/54/21/08/1260542108.db2.gz VFWSOGNESDCJRP-KRWDZBQOSA-N 2 2 358.490 0.886 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH2+]C)CC1 ZINC001574672716 1271477019 /nfs/dbraw/zinc/47/70/19/1271477019.db2.gz DKPHKQHCNNMSRQ-UHFFFAOYSA-N 2 2 354.458 0.928 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[NH2+]CC[C@H]2C)CC1 ZINC001574707737 1271498430 /nfs/dbraw/zinc/49/84/30/1271498430.db2.gz YHMKQRGLOGTHAX-NVXWUHKLSA-N 2 2 368.489 0.432 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[NH2+]CC[C@@H]2C)CC1 ZINC001574707736 1271498582 /nfs/dbraw/zinc/49/85/82/1271498582.db2.gz YHMKQRGLOGTHAX-DOTOQJQBSA-N 2 2 368.489 0.432 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001699203778 1289548399 /nfs/dbraw/zinc/54/83/99/1289548399.db2.gz OUBMKGYUNUAKMK-BZUAXINKSA-N 2 2 359.474 0.749 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316844 849096395 /nfs/dbraw/zinc/09/63/95/849096395.db2.gz YEEKFHXPBMHLBJ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316844 849096400 /nfs/dbraw/zinc/09/64/00/849096400.db2.gz YEEKFHXPBMHLBJ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316844 849096407 /nfs/dbraw/zinc/09/64/07/849096407.db2.gz YEEKFHXPBMHLBJ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316844 849096413 /nfs/dbraw/zinc/09/64/13/849096413.db2.gz YEEKFHXPBMHLBJ-XHSDSOJGSA-N 2 2 350.463 0.620 20 30 FCEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836726 862124797 /nfs/dbraw/zinc/12/47/97/862124797.db2.gz QHDGHYKHADBQMY-AEFFLSMTSA-N 2 2 352.479 0.296 20 30 FCEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836726 862124801 /nfs/dbraw/zinc/12/48/01/862124801.db2.gz QHDGHYKHADBQMY-AEFFLSMTSA-N 2 2 352.479 0.296 20 30 FCEDLP C=CCN(CC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)C(=O)OCC ZINC001278202467 862249605 /nfs/dbraw/zinc/24/96/05/862249605.db2.gz OBSFOTFPOCZDJI-CALCHBBNSA-N 2 2 354.495 0.578 20 30 FCEDLP C=CCN(CC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)C(=O)OCC ZINC001278202467 862249619 /nfs/dbraw/zinc/24/96/19/862249619.db2.gz OBSFOTFPOCZDJI-CALCHBBNSA-N 2 2 354.495 0.578 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605270 853959327 /nfs/dbraw/zinc/95/93/27/853959327.db2.gz RFHOYHLCUZHYSR-BZUAXINKSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605270 853959330 /nfs/dbraw/zinc/95/93/30/853959330.db2.gz RFHOYHLCUZHYSR-BZUAXINKSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208605270 853959332 /nfs/dbraw/zinc/95/93/32/853959332.db2.gz RFHOYHLCUZHYSR-BZUAXINKSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605270 853959334 /nfs/dbraw/zinc/95/93/34/853959334.db2.gz RFHOYHLCUZHYSR-BZUAXINKSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142203 854000738 /nfs/dbraw/zinc/00/07/38/854000738.db2.gz IUQZYIBYTWYJTK-ZACQAIPSSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142203 854000740 /nfs/dbraw/zinc/00/07/40/854000740.db2.gz IUQZYIBYTWYJTK-ZACQAIPSSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142203 854000747 /nfs/dbraw/zinc/00/07/47/854000747.db2.gz IUQZYIBYTWYJTK-ZACQAIPSSA-N 2 2 350.507 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142203 854000753 /nfs/dbraw/zinc/00/07/53/854000753.db2.gz IUQZYIBYTWYJTK-ZACQAIPSSA-N 2 2 350.507 0.988 20 30 FCEDLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1OC ZINC001213589023 854677664 /nfs/dbraw/zinc/67/76/64/854677664.db2.gz ZJVMNNOVYROEAT-QZTJIDSGSA-N 2 2 353.507 0.964 20 30 FCEDLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1OC ZINC001213589023 854677666 /nfs/dbraw/zinc/67/76/66/854677666.db2.gz ZJVMNNOVYROEAT-QZTJIDSGSA-N 2 2 353.507 0.964 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213589023 854677669 /nfs/dbraw/zinc/67/76/69/854677669.db2.gz ZJVMNNOVYROEAT-QZTJIDSGSA-N 2 2 353.507 0.964 20 30 FCEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213589023 854677672 /nfs/dbraw/zinc/67/76/72/854677672.db2.gz ZJVMNNOVYROEAT-QZTJIDSGSA-N 2 2 353.507 0.964 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765049 854758434 /nfs/dbraw/zinc/75/84/34/854758434.db2.gz RRKZBQGBRNTAER-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765049 854758436 /nfs/dbraw/zinc/75/84/36/854758436.db2.gz RRKZBQGBRNTAER-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765049 854758438 /nfs/dbraw/zinc/75/84/38/854758438.db2.gz RRKZBQGBRNTAER-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765049 854758440 /nfs/dbraw/zinc/75/84/40/854758440.db2.gz RRKZBQGBRNTAER-ARFHVFGLSA-N 2 2 354.495 0.224 20 30 FCEDLP CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001275283011 861012070 /nfs/dbraw/zinc/01/20/70/861012070.db2.gz XOKVNKKCZJHWOD-FJIDUMEYSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001275283011 861012082 /nfs/dbraw/zinc/01/20/82/861012082.db2.gz XOKVNKKCZJHWOD-FJIDUMEYSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001275283011 861012093 /nfs/dbraw/zinc/01/20/93/861012093.db2.gz XOKVNKKCZJHWOD-FJIDUMEYSA-N 2 2 353.507 0.933 20 30 FCEDLP CCCCCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001275283011 861012106 /nfs/dbraw/zinc/01/21/06/861012106.db2.gz XOKVNKKCZJHWOD-FJIDUMEYSA-N 2 2 353.507 0.933 20 30 FCEDLP CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331680467 215033403 /nfs/dbraw/zinc/03/34/03/215033403.db2.gz ZAAZDIVKZZZWGA-UHFFFAOYSA-N 2 2 372.473 0.197 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423016022 246947164 /nfs/dbraw/zinc/94/71/64/246947164.db2.gz SDJYRWIAXNPELK-HNNXBMFYSA-N 2 2 355.442 0.023 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1 ZINC000423015760 246947904 /nfs/dbraw/zinc/94/79/04/246947904.db2.gz RNCBCEIRMXCWGB-UHFFFAOYSA-N 2 2 369.469 0.400 20 30 FCEDLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423626737 247081243 /nfs/dbraw/zinc/08/12/43/247081243.db2.gz GOINMSIZTYTROS-YJBOKZPZSA-N 2 2 369.469 0.398 20 30 FCEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000261976157 229293923 /nfs/dbraw/zinc/29/39/23/229293923.db2.gz GALDROVRPGZHKP-UHFFFAOYSA-N 2 2 363.429 0.694 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000162236509 488801706 /nfs/dbraw/zinc/80/17/06/488801706.db2.gz ACZIDWQNPMEZMK-PKOBYXMFSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000162236509 488801708 /nfs/dbraw/zinc/80/17/08/488801708.db2.gz ACZIDWQNPMEZMK-PKOBYXMFSA-N 2 2 372.469 0.536 20 30 FCEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000329273511 488988416 /nfs/dbraw/zinc/98/84/16/488988416.db2.gz JZLDPNWMOMRZHX-BRWVUGGUSA-N 2 2 354.495 0.664 20 30 FCEDLP CC[NH+]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000329414958 489002982 /nfs/dbraw/zinc/00/29/82/489002982.db2.gz FUEJSOPLXDXQCB-UHFFFAOYSA-N 2 2 351.495 0.482 20 30 FCEDLP C[NH+]1CCN(C(=O)C2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329743839 489032696 /nfs/dbraw/zinc/03/26/96/489032696.db2.gz QHSLUVDHHRGWJN-OAHLLOKOSA-N 2 2 374.489 0.667 20 30 FCEDLP C[NH+]1CCN(C(=O)C2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)CC1 ZINC000329743839 489032699 /nfs/dbraw/zinc/03/26/99/489032699.db2.gz QHSLUVDHHRGWJN-OAHLLOKOSA-N 2 2 374.489 0.667 20 30 FCEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329872057 489043833 /nfs/dbraw/zinc/04/38/33/489043833.db2.gz CUWZKRQAKZCXMR-OWCLPIDISA-N 2 2 352.479 0.749 20 30 FCEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329872057 489043836 /nfs/dbraw/zinc/04/38/36/489043836.db2.gz CUWZKRQAKZCXMR-OWCLPIDISA-N 2 2 352.479 0.749 20 30 FCEDLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)N1CC[NH+](C)CC1 ZINC000329974894 489056873 /nfs/dbraw/zinc/05/68/73/489056873.db2.gz DJIYPWBHGKXKKH-JYJNAYRXSA-N 2 2 366.485 0.925 20 30 FCEDLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330260374 489085346 /nfs/dbraw/zinc/08/53/46/489085346.db2.gz OGNYFENENFVEKO-HNNXBMFYSA-N 2 2 358.508 0.583 20 30 FCEDLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330260374 489085348 /nfs/dbraw/zinc/08/53/48/489085348.db2.gz OGNYFENENFVEKO-HNNXBMFYSA-N 2 2 358.508 0.583 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330689901 489133183 /nfs/dbraw/zinc/13/31/83/489133183.db2.gz WCDAHQHUYASMCA-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330689901 489133186 /nfs/dbraw/zinc/13/31/86/489133186.db2.gz WCDAHQHUYASMCA-UHFFFAOYSA-N 2 2 369.510 0.153 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294107758 489187812 /nfs/dbraw/zinc/18/78/12/489187812.db2.gz YVBFCCSXWSYRLD-UHFFFAOYSA-N 2 2 371.485 0.582 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294107758 489187815 /nfs/dbraw/zinc/18/78/15/489187815.db2.gz YVBFCCSXWSYRLD-UHFFFAOYSA-N 2 2 371.485 0.582 20 30 FCEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000283102940 489215504 /nfs/dbraw/zinc/21/55/04/489215504.db2.gz LXZASAYEFNUESQ-HNNXBMFYSA-N 2 2 357.462 0.023 20 30 FCEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000283102940 489215507 /nfs/dbraw/zinc/21/55/07/489215507.db2.gz LXZASAYEFNUESQ-HNNXBMFYSA-N 2 2 357.462 0.023 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSCC[NH+](CC)CC)CC1 ZINC000369678863 489262763 /nfs/dbraw/zinc/26/27/63/489262763.db2.gz SHPSSZCRNVHLMV-UHFFFAOYSA-N 2 2 368.547 0.345 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCC[NH+](CC)CC)CC1 ZINC000369678863 489262767 /nfs/dbraw/zinc/26/27/67/489262767.db2.gz SHPSSZCRNVHLMV-UHFFFAOYSA-N 2 2 368.547 0.345 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000283872226 489298726 /nfs/dbraw/zinc/29/87/26/489298726.db2.gz BYJYXPJITMYMDL-UHFFFAOYSA-N 2 2 359.474 0.921 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000362833947 489400758 /nfs/dbraw/zinc/40/07/58/489400758.db2.gz OOCBPRSDLGZBHV-KRWDZBQOSA-N 2 2 369.469 0.573 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000362833947 489400761 /nfs/dbraw/zinc/40/07/61/489400761.db2.gz OOCBPRSDLGZBHV-KRWDZBQOSA-N 2 2 369.469 0.573 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421020072 490043388 /nfs/dbraw/zinc/04/33/88/490043388.db2.gz YQOSFMLKQWXVFW-UHFFFAOYSA-N 2 2 351.495 0.490 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421020072 490043391 /nfs/dbraw/zinc/04/33/91/490043391.db2.gz YQOSFMLKQWXVFW-UHFFFAOYSA-N 2 2 351.495 0.490 20 30 FCEDLP C=CCNC(=O)NC(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421020072 490043394 /nfs/dbraw/zinc/04/33/94/490043394.db2.gz YQOSFMLKQWXVFW-UHFFFAOYSA-N 2 2 351.495 0.490 20 30 FCEDLP C=CCNC(=O)NC(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421020072 490043398 /nfs/dbraw/zinc/04/33/98/490043398.db2.gz YQOSFMLKQWXVFW-UHFFFAOYSA-N 2 2 351.495 0.490 20 30 FCEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378535630 490082685 /nfs/dbraw/zinc/08/26/85/490082685.db2.gz SJVWLQNMITVPKD-UHFFFAOYSA-N 2 2 372.469 0.334 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[C@H]1[NH3+] ZINC000423013022 490519425 /nfs/dbraw/zinc/51/94/25/490519425.db2.gz LWIYGNWHSWOMPK-MAUKXSAKSA-N 2 2 369.469 0.398 20 30 FCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000527298889 490716130 /nfs/dbraw/zinc/71/61/30/490716130.db2.gz HZUHPLFSJFXDOU-OAHLLOKOSA-N 2 2 350.463 0.096 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530229949 490894708 /nfs/dbraw/zinc/89/47/08/490894708.db2.gz BSHMRDMEQBBEKA-QGZVFWFLSA-N 2 2 360.458 0.440 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000574385420 491492762 /nfs/dbraw/zinc/49/27/62/491492762.db2.gz BFAUSAYJGNGESP-SFHVURJKSA-N 2 2 357.458 0.764 20 30 FCEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000577526923 491629612 /nfs/dbraw/zinc/62/96/12/491629612.db2.gz GUERDIAHFHQVAW-ZDUSSCGKSA-N 2 2 356.434 0.294 20 30 FCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000580273248 491724035 /nfs/dbraw/zinc/72/40/35/491724035.db2.gz UBZCWMPOHFLZTO-INIZCTEOSA-N 2 2 359.478 0.224 20 30 FCEDLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601580734 491936040 /nfs/dbraw/zinc/93/60/40/491936040.db2.gz AJVHKWRTUFRIBC-YOEHRIQHSA-N 2 2 355.442 0.151 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938861 /nfs/dbraw/zinc/93/88/61/492938861.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 2 2 362.518 0.971 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938864 /nfs/dbraw/zinc/93/88/64/492938864.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 2 2 362.518 0.971 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938867 /nfs/dbraw/zinc/93/88/67/492938867.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 2 2 362.518 0.971 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938869 /nfs/dbraw/zinc/93/88/69/492938869.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 2 2 362.518 0.971 20 30 FCEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@H](COC)C1 ZINC000261799937 526351286 /nfs/dbraw/zinc/35/12/86/526351286.db2.gz GXKPARKXZADKBU-KRWDZBQOSA-N 2 2 368.522 0.944 20 30 FCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179085699 526355554 /nfs/dbraw/zinc/35/55/54/526355554.db2.gz GZXLXGPLKNFAAG-KRWDZBQOSA-N 3 2 367.538 0.327 20 30 FCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179085699 526355558 /nfs/dbraw/zinc/35/55/58/526355558.db2.gz GZXLXGPLKNFAAG-KRWDZBQOSA-N 3 2 367.538 0.327 20 30 FCEDLP C=CCNC(NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)=[NH+]C ZINC000262423197 526386367 /nfs/dbraw/zinc/38/63/67/526386367.db2.gz GMDZQKAYHKLTOL-UHFFFAOYSA-N 2 2 365.503 0.474 20 30 FCEDLP C[NH+]=C(NCc1cnc(C)s1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261985155 526388495 /nfs/dbraw/zinc/38/84/95/526388495.db2.gz PWJGKZUMUWDXKC-UHFFFAOYSA-N 2 2 352.508 0.623 20 30 FCEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCO[C@H](COC)C1 ZINC000261936917 526413946 /nfs/dbraw/zinc/41/39/46/526413946.db2.gz MCRRONYPBYFJJC-INIZCTEOSA-N 2 2 358.446 0.998 20 30 FCEDLP C=C(C)CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262535201 526577562 /nfs/dbraw/zinc/57/75/62/526577562.db2.gz PGPXIVKNYCYGOB-UHFFFAOYSA-N 2 2 365.503 0.603 20 30 FCEDLP C=CCOC[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000348405628 666225614 /nfs/dbraw/zinc/22/56/14/666225614.db2.gz DEXZJDXHUDURGN-INIZCTEOSA-N 2 2 350.463 0.668 20 30 FCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035371203 667776655 /nfs/dbraw/zinc/77/66/55/667776655.db2.gz XQWANQZHVUPTOV-KURKYZTESA-N 2 2 351.491 0.736 20 30 FCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035371203 667776661 /nfs/dbraw/zinc/77/66/61/667776661.db2.gz XQWANQZHVUPTOV-KURKYZTESA-N 2 2 351.491 0.736 20 30 FCEDLP CC(=NN1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000839384174 668000806 /nfs/dbraw/zinc/00/08/06/668000806.db2.gz UIIAHWMXTFOBKX-UHFFFAOYSA-N 2 2 365.503 0.252 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486438 1169093919 /nfs/dbraw/zinc/09/39/19/1169093919.db2.gz RXLYIASVMQIVBD-JXFKEZNVSA-N 2 2 371.485 0.320 20 30 FCEDLP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112501325 1170026818 /nfs/dbraw/zinc/02/68/18/1170026818.db2.gz VEILUZFEVOINHQ-YJBOKZPZSA-N 2 2 358.446 0.131 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000988736286 1192420222 /nfs/dbraw/zinc/42/02/22/1192420222.db2.gz LANXWOWAOBETKA-OWSLCNJRSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000988736286 1192420224 /nfs/dbraw/zinc/42/02/24/1192420224.db2.gz LANXWOWAOBETKA-OWSLCNJRSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)[C@@H]1C ZINC000988736286 1192420226 /nfs/dbraw/zinc/42/02/26/1192420226.db2.gz LANXWOWAOBETKA-OWSLCNJRSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)[C@@H]1C ZINC000988736286 1192420229 /nfs/dbraw/zinc/42/02/29/1192420229.db2.gz LANXWOWAOBETKA-OWSLCNJRSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506657 1179830416 /nfs/dbraw/zinc/83/04/16/1179830416.db2.gz MQSIMRITXYMHRB-OTWHNJEPSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506657 1179830418 /nfs/dbraw/zinc/83/04/18/1179830418.db2.gz MQSIMRITXYMHRB-OTWHNJEPSA-N 2 2 363.502 0.718 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734408 1180469615 /nfs/dbraw/zinc/46/96/15/1180469615.db2.gz SWIMEKSTQYSDAH-ZWKOTPCHSA-N 2 2 367.453 0.770 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000972835470 1180880230 /nfs/dbraw/zinc/88/02/30/1180880230.db2.gz VKXBJDFRDMCMQJ-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000972835470 1180880235 /nfs/dbraw/zinc/88/02/35/1180880235.db2.gz VKXBJDFRDMCMQJ-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775201 1182913415 /nfs/dbraw/zinc/91/34/15/1182913415.db2.gz DAMZIHNMJACJHQ-ARFHVFGLSA-N 2 2 359.474 0.412 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775201 1182913424 /nfs/dbraw/zinc/91/34/24/1182913424.db2.gz DAMZIHNMJACJHQ-ARFHVFGLSA-N 2 2 359.474 0.412 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087997980 1190174740 /nfs/dbraw/zinc/17/47/40/1190174740.db2.gz KODVYPWPJIALHB-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087997980 1190174744 /nfs/dbraw/zinc/17/47/44/1190174744.db2.gz KODVYPWPJIALHB-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087997980 1190174746 /nfs/dbraw/zinc/17/47/46/1190174746.db2.gz KODVYPWPJIALHB-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087997980 1190174749 /nfs/dbraw/zinc/17/47/49/1190174749.db2.gz KODVYPWPJIALHB-RYRKJORJSA-N 2 2 356.474 0.193 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151841 1190677533 /nfs/dbraw/zinc/67/75/33/1190677533.db2.gz WWNHOLODEYSRFW-PMPSAXMXSA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151841 1190677540 /nfs/dbraw/zinc/67/75/40/1190677540.db2.gz WWNHOLODEYSRFW-PMPSAXMXSA-N 2 2 357.458 0.519 20 30 FCEDLP C[C@H](Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1)C1C[NH2+]C1 ZINC001218198311 1224146675 /nfs/dbraw/zinc/14/66/75/1224146675.db2.gz HFGISAQXWHUWCB-NHYWBVRUSA-N 2 2 361.398 0.150 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462123 1194506353 /nfs/dbraw/zinc/50/63/53/1194506353.db2.gz IQPJDWMKMSCHFM-BHYGNILZSA-N 2 2 357.458 0.282 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462123 1194506360 /nfs/dbraw/zinc/50/63/60/1194506360.db2.gz IQPJDWMKMSCHFM-BHYGNILZSA-N 2 2 357.458 0.282 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1O ZINC001077159022 1195281399 /nfs/dbraw/zinc/28/13/99/1195281399.db2.gz KCRWHWJEFVNWOJ-CEXWTWQISA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1O ZINC001077159022 1195281405 /nfs/dbraw/zinc/28/14/05/1195281405.db2.gz KCRWHWJEFVNWOJ-CEXWTWQISA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2C)C[C@H]1O ZINC001077159022 1195281410 /nfs/dbraw/zinc/28/14/10/1195281410.db2.gz KCRWHWJEFVNWOJ-CEXWTWQISA-N 2 2 371.481 0.763 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2C)C[C@H]1O ZINC001077159022 1195281416 /nfs/dbraw/zinc/28/14/16/1195281416.db2.gz KCRWHWJEFVNWOJ-CEXWTWQISA-N 2 2 371.481 0.763 20 30 FCEDLP CN(C)c1nc(N2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)cc[nH+]1 ZINC000592499757 1196628974 /nfs/dbraw/zinc/62/89/74/1196628974.db2.gz GCPMSSRZWICEIG-AWEZNQCLSA-N 2 2 367.461 0.475 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307222 1197852099 /nfs/dbraw/zinc/85/20/99/1197852099.db2.gz HISAEMYETNNJHC-GDBMZVCRSA-N 2 2 359.474 0.360 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333040 1197868211 /nfs/dbraw/zinc/86/82/11/1197868211.db2.gz BLZUTUPYZXDWQS-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419910 1197913385 /nfs/dbraw/zinc/91/33/85/1197913385.db2.gz ZSISQAKGAKCQBO-HUUCEWRRSA-N 2 2 355.442 0.934 20 30 FCEDLP C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219533495 1224500896 /nfs/dbraw/zinc/50/08/96/1224500896.db2.gz MABFNPVYMHLWQD-MFCZKXCZSA-N 2 2 370.453 0.750 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001219732567 1224583984 /nfs/dbraw/zinc/58/39/84/1224583984.db2.gz YUFNPRNVDXEWNY-KSZLIROESA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001219732567 1224583993 /nfs/dbraw/zinc/58/39/93/1224583993.db2.gz YUFNPRNVDXEWNY-KSZLIROESA-N 2 2 362.449 0.899 20 30 FCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400615 1200250053 /nfs/dbraw/zinc/25/00/53/1200250053.db2.gz NNPHIXQEAJMMEX-OWSLCNJRSA-N 2 2 361.490 0.737 20 30 FCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400615 1200250059 /nfs/dbraw/zinc/25/00/59/1200250059.db2.gz NNPHIXQEAJMMEX-OWSLCNJRSA-N 2 2 361.490 0.737 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519929 1200356997 /nfs/dbraw/zinc/35/69/97/1200356997.db2.gz AHQRRMROBMIZEJ-WCZJQEMASA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519929 1200357011 /nfs/dbraw/zinc/35/70/11/1200357011.db2.gz AHQRRMROBMIZEJ-WCZJQEMASA-N 2 2 365.437 0.807 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555151 1200386021 /nfs/dbraw/zinc/38/60/21/1200386021.db2.gz JCNHGFDYLXRWIH-VUHPKUFZSA-N 2 2 360.502 0.885 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555151 1200386028 /nfs/dbraw/zinc/38/60/28/1200386028.db2.gz JCNHGFDYLXRWIH-VUHPKUFZSA-N 2 2 360.502 0.885 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961205 1200637423 /nfs/dbraw/zinc/63/74/23/1200637423.db2.gz RZOHHBKIHIKMIL-SQNIBIBYSA-N 2 2 373.501 0.470 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961205 1200637431 /nfs/dbraw/zinc/63/74/31/1200637431.db2.gz RZOHHBKIHIKMIL-SQNIBIBYSA-N 2 2 373.501 0.470 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001219842337 1224650226 /nfs/dbraw/zinc/65/02/26/1224650226.db2.gz MASPOQAGHNRKRX-SQNIBIBYSA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001219842337 1224650228 /nfs/dbraw/zinc/65/02/28/1224650228.db2.gz MASPOQAGHNRKRX-SQNIBIBYSA-N 2 2 362.449 0.945 20 30 FCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412133 1201300246 /nfs/dbraw/zinc/30/02/46/1201300246.db2.gz JMPPPLJXWHTJDQ-SJORKVTESA-N 2 2 357.462 0.952 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332158 /nfs/dbraw/zinc/33/21/58/1201332158.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 2 2 352.442 0.385 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332166 /nfs/dbraw/zinc/33/21/66/1201332166.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 2 2 352.442 0.385 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332171 /nfs/dbraw/zinc/33/21/71/1201332171.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 2 2 352.442 0.385 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332180 /nfs/dbraw/zinc/33/21/80/1201332180.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 2 2 352.442 0.385 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917162 1201427828 /nfs/dbraw/zinc/42/78/28/1201427828.db2.gz NLBBIYHVRVXNDD-XHSDSOJGSA-N 2 2 353.430 0.102 20 30 FCEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129940923 1201439039 /nfs/dbraw/zinc/43/90/39/1201439039.db2.gz AMESQXQCOYXZLT-CVEARBPZSA-N 2 2 357.462 0.952 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918558 1201440879 /nfs/dbraw/zinc/44/08/79/1201440879.db2.gz DKPDJAPUPIJZSC-OLMNPRSZSA-N 2 2 367.457 0.480 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918558 1201440883 /nfs/dbraw/zinc/44/08/83/1201440883.db2.gz DKPDJAPUPIJZSC-OLMNPRSZSA-N 2 2 367.457 0.480 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000673 1201467366 /nfs/dbraw/zinc/46/73/66/1201467366.db2.gz JFUYIPJNMSKUNO-IMJJTQAJSA-N 2 2 353.430 0.486 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001130223053 1201552659 /nfs/dbraw/zinc/55/26/59/1201552659.db2.gz KXVIXETXONFKRH-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001130223053 1201552662 /nfs/dbraw/zinc/55/26/62/1201552662.db2.gz KXVIXETXONFKRH-GJZGRUSLSA-N 2 2 371.445 0.111 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130223450 1201552962 /nfs/dbraw/zinc/55/29/62/1201552962.db2.gz UVVLBCANVPRZCF-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130223450 1201552966 /nfs/dbraw/zinc/55/29/66/1201552966.db2.gz UVVLBCANVPRZCF-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223450 1201552971 /nfs/dbraw/zinc/55/29/71/1201552971.db2.gz UVVLBCANVPRZCF-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223450 1201552972 /nfs/dbraw/zinc/55/29/72/1201552972.db2.gz UVVLBCANVPRZCF-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130223469 1201553232 /nfs/dbraw/zinc/55/32/32/1201553232.db2.gz VQWWRPVAKFFYDY-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130223469 1201553237 /nfs/dbraw/zinc/55/32/37/1201553237.db2.gz VQWWRPVAKFFYDY-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223469 1201553241 /nfs/dbraw/zinc/55/32/41/1201553241.db2.gz VQWWRPVAKFFYDY-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223469 1201553245 /nfs/dbraw/zinc/55/32/45/1201553245.db2.gz VQWWRPVAKFFYDY-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232398 1201557117 /nfs/dbraw/zinc/55/71/17/1201557117.db2.gz GDKMRDDLVQBDOE-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130233112 1201558080 /nfs/dbraw/zinc/55/80/80/1201558080.db2.gz YMBIUDVRMXFUOU-OFQRWUPVSA-N 2 2 364.494 0.655 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001130783424 1202794377 /nfs/dbraw/zinc/79/43/77/1202794377.db2.gz XKRGMLMVMRVMDD-CAOSSQGBSA-N 2 2 374.489 0.594 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001130783424 1202794381 /nfs/dbraw/zinc/79/43/81/1202794381.db2.gz XKRGMLMVMRVMDD-CAOSSQGBSA-N 2 2 374.489 0.594 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H](C)n3cc[nH+]c3)n2)O1 ZINC001130811965 1202805175 /nfs/dbraw/zinc/80/51/75/1202805175.db2.gz UMWMQDISTIWBPV-SOUVJXGZSA-N 2 2 371.445 0.712 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220297142 1224823436 /nfs/dbraw/zinc/82/34/36/1224823436.db2.gz MVJIFYBSDDQGMW-FGTMMUONSA-N 2 2 362.449 0.945 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220297142 1224823440 /nfs/dbraw/zinc/82/34/40/1224823440.db2.gz MVJIFYBSDDQGMW-FGTMMUONSA-N 2 2 362.449 0.945 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087010445 1204897962 /nfs/dbraw/zinc/89/79/62/1204897962.db2.gz AYKHKCGYMRUSLU-IPMKNSEASA-N 2 2 371.485 0.048 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348537 1207449587 /nfs/dbraw/zinc/44/95/87/1207449587.db2.gz CYRASCRJZSVIAT-QWQRMKEZSA-N 2 2 365.437 0.847 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348537 1207449588 /nfs/dbraw/zinc/44/95/88/1207449588.db2.gz CYRASCRJZSVIAT-QWQRMKEZSA-N 2 2 365.437 0.847 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246820 1207523837 /nfs/dbraw/zinc/52/38/37/1207523837.db2.gz UIBRRZGDXPQJNE-DOTOQJQBSA-N 2 2 357.458 0.686 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246820 1207523844 /nfs/dbraw/zinc/52/38/44/1207523844.db2.gz UIBRRZGDXPQJNE-DOTOQJQBSA-N 2 2 357.458 0.686 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001189612204 1207578407 /nfs/dbraw/zinc/57/84/07/1207578407.db2.gz JXLKVIVQEAPKLL-DLBZAZTESA-N 2 2 361.490 0.279 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001189612204 1207578411 /nfs/dbraw/zinc/57/84/11/1207578411.db2.gz JXLKVIVQEAPKLL-DLBZAZTESA-N 2 2 361.490 0.279 20 30 FCEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220683140 1225011593 /nfs/dbraw/zinc/01/15/93/1225011593.db2.gz LMCQJWYKNIZBJO-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220683140 1225011601 /nfs/dbraw/zinc/01/16/01/1225011601.db2.gz LMCQJWYKNIZBJO-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220683140 1225011613 /nfs/dbraw/zinc/01/16/13/1225011613.db2.gz LMCQJWYKNIZBJO-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220683140 1225011623 /nfs/dbraw/zinc/01/16/23/1225011623.db2.gz LMCQJWYKNIZBJO-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481643 1207687345 /nfs/dbraw/zinc/68/73/45/1207687345.db2.gz ZJDLKJWTLIUSBB-DLBZAZTESA-N 2 2 357.458 0.616 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481643 1207687346 /nfs/dbraw/zinc/68/73/46/1207687346.db2.gz ZJDLKJWTLIUSBB-DLBZAZTESA-N 2 2 357.458 0.616 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CC1 ZINC001193780842 1207888201 /nfs/dbraw/zinc/88/82/01/1207888201.db2.gz GBICUDQYVIBLAW-KZNAEPCWSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CC1 ZINC001193780842 1207888204 /nfs/dbraw/zinc/88/82/04/1207888204.db2.gz GBICUDQYVIBLAW-KZNAEPCWSA-N 2 2 360.433 0.699 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104436 1208318492 /nfs/dbraw/zinc/31/84/92/1208318492.db2.gz MMGVBPQXSNYCDH-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104436 1208318493 /nfs/dbraw/zinc/31/84/93/1208318493.db2.gz MMGVBPQXSNYCDH-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104436 1208318495 /nfs/dbraw/zinc/31/84/95/1208318495.db2.gz MMGVBPQXSNYCDH-IAGOWNOFSA-N 2 2 360.458 0.568 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578573 1208486792 /nfs/dbraw/zinc/48/67/92/1208486792.db2.gz NHWNDRZMCYIAAN-HZMVEIRTSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578573 1208486801 /nfs/dbraw/zinc/48/68/01/1208486801.db2.gz NHWNDRZMCYIAAN-HZMVEIRTSA-N 2 2 371.485 0.868 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C)OC ZINC000856013958 1209691406 /nfs/dbraw/zinc/69/14/06/1209691406.db2.gz CMIUNTXEQHQVRC-ROUUACIJSA-N 2 2 374.485 0.078 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C)OC ZINC000856013958 1209691408 /nfs/dbraw/zinc/69/14/08/1209691408.db2.gz CMIUNTXEQHQVRC-ROUUACIJSA-N 2 2 374.485 0.078 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCCN(OC)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000856013958 1209691410 /nfs/dbraw/zinc/69/14/10/1209691410.db2.gz CMIUNTXEQHQVRC-ROUUACIJSA-N 2 2 374.485 0.078 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCCN(OC)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000856013958 1209691412 /nfs/dbraw/zinc/69/14/12/1209691412.db2.gz CMIUNTXEQHQVRC-ROUUACIJSA-N 2 2 374.485 0.078 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000865288976 1209975694 /nfs/dbraw/zinc/97/56/94/1209975694.db2.gz VNSMPTWVSYNKNV-ZDUSSCGKSA-N 2 2 355.442 0.713 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000865288976 1209975698 /nfs/dbraw/zinc/97/56/98/1209975698.db2.gz VNSMPTWVSYNKNV-ZDUSSCGKSA-N 2 2 355.442 0.713 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000874382417 1210313087 /nfs/dbraw/zinc/31/30/87/1210313087.db2.gz CVOUMLROTQLYTC-UHFFFAOYSA-N 2 2 370.497 0.445 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000874382417 1210313089 /nfs/dbraw/zinc/31/30/89/1210313089.db2.gz CVOUMLROTQLYTC-UHFFFAOYSA-N 2 2 370.497 0.445 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000874382417 1210313093 /nfs/dbraw/zinc/31/30/93/1210313093.db2.gz CVOUMLROTQLYTC-UHFFFAOYSA-N 2 2 370.497 0.445 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000874382417 1210313095 /nfs/dbraw/zinc/31/30/95/1210313095.db2.gz CVOUMLROTQLYTC-UHFFFAOYSA-N 2 2 370.497 0.445 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615664 1225399163 /nfs/dbraw/zinc/39/91/63/1225399163.db2.gz SHJVZWKNFGZYNL-KZNAEPCWSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615664 1225399167 /nfs/dbraw/zinc/39/91/67/1225399167.db2.gz SHJVZWKNFGZYNL-KZNAEPCWSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615664 1225399170 /nfs/dbraw/zinc/39/91/70/1225399170.db2.gz SHJVZWKNFGZYNL-KZNAEPCWSA-N 2 2 360.502 0.246 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615664 1225399174 /nfs/dbraw/zinc/39/91/74/1225399174.db2.gz SHJVZWKNFGZYNL-KZNAEPCWSA-N 2 2 360.502 0.246 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615382 1225399472 /nfs/dbraw/zinc/39/94/72/1225399472.db2.gz GCWZSODJQQSVMA-IXDOHACOSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615382 1225399478 /nfs/dbraw/zinc/39/94/78/1225399478.db2.gz GCWZSODJQQSVMA-IXDOHACOSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615382 1225399483 /nfs/dbraw/zinc/39/94/83/1225399483.db2.gz GCWZSODJQQSVMA-IXDOHACOSA-N 2 2 361.490 0.137 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221615382 1225399486 /nfs/dbraw/zinc/39/94/86/1225399486.db2.gz GCWZSODJQQSVMA-IXDOHACOSA-N 2 2 361.490 0.137 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)CC1 ZINC000957071505 1213244875 /nfs/dbraw/zinc/24/48/75/1213244875.db2.gz QHICLWUQFYHFQY-CRAIPNDOSA-N 2 2 371.485 0.271 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692391 1225444266 /nfs/dbraw/zinc/44/42/66/1225444266.db2.gz CYYUWNMOUCWBFB-QZTJIDSGSA-N 2 2 371.485 0.925 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692391 1225444271 /nfs/dbraw/zinc/44/42/71/1225444271.db2.gz CYYUWNMOUCWBFB-QZTJIDSGSA-N 2 2 371.485 0.925 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221711030 1225452385 /nfs/dbraw/zinc/45/23/85/1225452385.db2.gz VDSMGKRVBHSCTP-LMMKCTJWSA-N 2 2 360.502 0.696 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221711030 1225452388 /nfs/dbraw/zinc/45/23/88/1225452388.db2.gz VDSMGKRVBHSCTP-LMMKCTJWSA-N 2 2 360.502 0.696 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222799577 1225654545 /nfs/dbraw/zinc/65/45/45/1225654545.db2.gz LWBQRJYLAIWIAO-PMPSAXMXSA-N 2 2 367.469 0.229 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222799577 1225654548 /nfs/dbraw/zinc/65/45/48/1225654548.db2.gz LWBQRJYLAIWIAO-PMPSAXMXSA-N 2 2 367.469 0.229 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927225 1216847939 /nfs/dbraw/zinc/84/79/39/1216847939.db2.gz PTTMQSPHEFAORP-QRQLOZEOSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927225 1216847940 /nfs/dbraw/zinc/84/79/40/1216847940.db2.gz PTTMQSPHEFAORP-QRQLOZEOSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927225 1216847942 /nfs/dbraw/zinc/84/79/42/1216847942.db2.gz PTTMQSPHEFAORP-QRQLOZEOSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](n2ccnn2)C1 ZINC001069927225 1216847945 /nfs/dbraw/zinc/84/79/45/1216847945.db2.gz PTTMQSPHEFAORP-QRQLOZEOSA-N 2 2 370.501 0.907 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962265 1216869318 /nfs/dbraw/zinc/86/93/18/1216869318.db2.gz NMPNYNBTPYSCNL-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962265 1216869319 /nfs/dbraw/zinc/86/93/19/1216869319.db2.gz NMPNYNBTPYSCNL-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045820 1216921280 /nfs/dbraw/zinc/92/12/80/1216921280.db2.gz WHQBFVLHJVDAQX-KSZLIROESA-N 2 2 358.490 0.907 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045820 1216921285 /nfs/dbraw/zinc/92/12/85/1216921285.db2.gz WHQBFVLHJVDAQX-KSZLIROESA-N 2 2 358.490 0.907 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600518 1225786659 /nfs/dbraw/zinc/78/66/59/1225786659.db2.gz WWLHZCMBMKZIRP-USXIJHARSA-N 2 2 371.485 0.490 20 30 FCEDLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CC(=O)NCC#N)ccn12 ZINC001226251322 1225837760 /nfs/dbraw/zinc/83/77/60/1225837760.db2.gz QXIMWNDAMWJEGJ-HZPDHXFCSA-N 2 2 368.441 0.913 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001111455316 1218847170 /nfs/dbraw/zinc/84/71/70/1218847170.db2.gz XMANRXDXKKWNMO-OWYHZJEWSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001111455316 1218847171 /nfs/dbraw/zinc/84/71/71/1218847171.db2.gz XMANRXDXKKWNMO-OWYHZJEWSA-N 2 2 374.529 0.968 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227166255 1225865155 /nfs/dbraw/zinc/86/51/55/1225865155.db2.gz VPZNBEXLGSLQPX-BZUAXINKSA-N 2 2 371.485 0.589 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227166255 1225865158 /nfs/dbraw/zinc/86/51/58/1225865158.db2.gz VPZNBEXLGSLQPX-BZUAXINKSA-N 2 2 371.485 0.589 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1n1ccnn1 ZINC001070217460 1219299364 /nfs/dbraw/zinc/29/93/64/1219299364.db2.gz GATPMZFMRQNIPF-CVEARBPZSA-N 2 2 356.430 0.842 20 30 FCEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001070382599 1219407770 /nfs/dbraw/zinc/40/77/70/1219407770.db2.gz HLIQUJRTMADZMC-BEFAXECRSA-N 2 2 357.458 0.369 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001228364216 1225916127 /nfs/dbraw/zinc/91/61/27/1225916127.db2.gz SVNXTUPOUWZJTQ-LJQANCHMSA-N 2 2 358.486 0.794 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1=O ZINC001099521191 1220021643 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1221251021 /nfs/dbraw/zinc/25/10/21/1221251021.db2.gz ICGQKBACLNKNKL-GUXCAODWSA-N 2 2 371.485 0.699 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348084 1226076713 /nfs/dbraw/zinc/07/67/13/1226076713.db2.gz UAKVWQPYDGSCGC-HZPDHXFCSA-N 2 2 360.462 0.662 20 30 FCEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000834493261 1222576244 /nfs/dbraw/zinc/57/62/44/1222576244.db2.gz CHJWTLLQAIYGSX-GOEBONIOSA-N 2 2 352.398 0.753 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336605 1223155581 /nfs/dbraw/zinc/15/55/81/1223155581.db2.gz FFQIPEDVIQLMDF-YNEHKIRRSA-N 2 2 362.434 0.009 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336605 1223155585 /nfs/dbraw/zinc/15/55/85/1223155585.db2.gz FFQIPEDVIQLMDF-YNEHKIRRSA-N 2 2 362.434 0.009 20 30 FCEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001166315545 1223272575 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/nfs/dbraw/zinc/95/48/99/1223954899.db2.gz HDYUJEZXLXTQDV-OAGGEKHMSA-N 2 2 360.462 0.547 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC000993855599 1250026663 /nfs/dbraw/zinc/02/66/63/1250026663.db2.gz RZKXUBKBHGLTME-IAGOWNOFSA-N 2 2 369.469 0.196 20 30 FCEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322501 1253988559 /nfs/dbraw/zinc/98/85/59/1253988559.db2.gz HHGFCIBIPSBBQS-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322501 1253988567 /nfs/dbraw/zinc/98/85/67/1253988567.db2.gz HHGFCIBIPSBBQS-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174516 1255287519 /nfs/dbraw/zinc/28/75/19/1255287519.db2.gz NRDJSKOBBLBOKE-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174516 1255287529 /nfs/dbraw/zinc/28/75/29/1255287529.db2.gz NRDJSKOBBLBOKE-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174516 1255287535 /nfs/dbraw/zinc/28/75/35/1255287535.db2.gz NRDJSKOBBLBOKE-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174516 1255287541 /nfs/dbraw/zinc/28/75/41/1255287541.db2.gz NRDJSKOBBLBOKE-USXIJHARSA-N 2 2 358.442 0.180 20 30 FCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)[C@H]2C1 ZINC001083089255 1257291524 /nfs/dbraw/zinc/29/15/24/1257291524.db2.gz ZWAJDJIPUCLHOS-OKZBNKHCSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)[C@H]2C1 ZINC001083089255 1257291527 /nfs/dbraw/zinc/29/15/27/1257291527.db2.gz ZWAJDJIPUCLHOS-OKZBNKHCSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083089255 1257291535 /nfs/dbraw/zinc/29/15/35/1257291535.db2.gz ZWAJDJIPUCLHOS-OKZBNKHCSA-N 2 2 357.458 0.725 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083089255 1257291540 /nfs/dbraw/zinc/29/15/40/1257291540.db2.gz ZWAJDJIPUCLHOS-OKZBNKHCSA-N 2 2 357.458 0.725 20 30 FCEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083781081 1257523519 /nfs/dbraw/zinc/52/35/19/1257523519.db2.gz UDBFOSRMGKDMIB-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083781081 1257523522 /nfs/dbraw/zinc/52/35/22/1257523522.db2.gz UDBFOSRMGKDMIB-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083781081 1257523523 /nfs/dbraw/zinc/52/35/23/1257523523.db2.gz UDBFOSRMGKDMIB-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083781081 1257523524 /nfs/dbraw/zinc/52/35/24/1257523524.db2.gz UDBFOSRMGKDMIB-MSOLQXFVSA-N 2 2 356.470 0.951 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251222 1257988474 /nfs/dbraw/zinc/98/84/74/1257988474.db2.gz FVUILLPWYPMVRK-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251222 1257988478 /nfs/dbraw/zinc/98/84/78/1257988478.db2.gz FVUILLPWYPMVRK-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251222 1257988485 /nfs/dbraw/zinc/98/84/85/1257988485.db2.gz FVUILLPWYPMVRK-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084251222 1257988489 /nfs/dbraw/zinc/98/84/89/1257988489.db2.gz FVUILLPWYPMVRK-QRVBRYPASA-N 2 2 354.454 0.922 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C)C[C@H]21 ZINC001084417851 1258098862 /nfs/dbraw/zinc/09/88/62/1258098862.db2.gz IOCWOEFJMLFXRT-NZSAHSFTSA-N 2 2 355.486 0.859 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C)C[C@H]21 ZINC001084417851 1258098872 /nfs/dbraw/zinc/09/88/72/1258098872.db2.gz IOCWOEFJMLFXRT-NZSAHSFTSA-N 2 2 355.486 0.859 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cn(C)nc3C)C[C@H]21 ZINC001084417851 1258098881 /nfs/dbraw/zinc/09/88/81/1258098881.db2.gz IOCWOEFJMLFXRT-NZSAHSFTSA-N 2 2 355.486 0.859 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cn(C)nc3C)C[C@H]21 ZINC001084417851 1258098887 /nfs/dbraw/zinc/09/88/87/1258098887.db2.gz IOCWOEFJMLFXRT-NZSAHSFTSA-N 2 2 355.486 0.859 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561032 1259117572 /nfs/dbraw/zinc/11/75/72/1259117572.db2.gz AQXWENOXPJOVFX-MBOZVWFJSA-N 2 2 371.485 0.944 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561032 1259117576 /nfs/dbraw/zinc/11/75/76/1259117576.db2.gz AQXWENOXPJOVFX-MBOZVWFJSA-N 2 2 371.485 0.944 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642819 1259403035 /nfs/dbraw/zinc/40/30/35/1259403035.db2.gz KIPPSTFPWIONPL-SCTDSRPQSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642819 1259403037 /nfs/dbraw/zinc/40/30/37/1259403037.db2.gz KIPPSTFPWIONPL-SCTDSRPQSA-N 2 2 358.486 0.143 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417116 1259497375 /nfs/dbraw/zinc/49/73/75/1259497375.db2.gz XEKULOPKTMEIIK-IXDOHACOSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417116 1259497380 /nfs/dbraw/zinc/49/73/80/1259497380.db2.gz XEKULOPKTMEIIK-IXDOHACOSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417116 1259497385 /nfs/dbraw/zinc/49/73/85/1259497385.db2.gz XEKULOPKTMEIIK-IXDOHACOSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417116 1259497392 /nfs/dbraw/zinc/49/73/92/1259497392.db2.gz XEKULOPKTMEIIK-IXDOHACOSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417115 1259497942 /nfs/dbraw/zinc/49/79/42/1259497942.db2.gz XEKULOPKTMEIIK-BRWVUGGUSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417115 1259497945 /nfs/dbraw/zinc/49/79/45/1259497945.db2.gz XEKULOPKTMEIIK-BRWVUGGUSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417115 1259497948 /nfs/dbraw/zinc/49/79/48/1259497948.db2.gz XEKULOPKTMEIIK-BRWVUGGUSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)C1=O ZINC001212417115 1259497951 /nfs/dbraw/zinc/49/79/51/1259497951.db2.gz XEKULOPKTMEIIK-BRWVUGGUSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCOC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717256 1259669396 /nfs/dbraw/zinc/66/93/96/1259669396.db2.gz WBNKXLKSSHGVHT-SJORKVTESA-N 2 2 372.517 0.884 20 30 FCEDLP C=CCOC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717256 1259669402 /nfs/dbraw/zinc/66/94/02/1259669402.db2.gz WBNKXLKSSHGVHT-SJORKVTESA-N 2 2 372.517 0.884 20 30 FCEDLP C#CCN(CC#CC)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001257568084 1260021251 /nfs/dbraw/zinc/02/12/51/1260021251.db2.gz DTSVAZFIEVHKCV-UHFFFAOYSA-N 2 2 358.486 0.146 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC001258413370 1260049641 /nfs/dbraw/zinc/04/96/41/1260049641.db2.gz HWNCORGCFTWHDR-MRXNPFEDSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC001258413370 1260049651 /nfs/dbraw/zinc/04/96/51/1260049651.db2.gz HWNCORGCFTWHDR-MRXNPFEDSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+]3C3CCOCC3)n2C)CC1 ZINC001338034302 1260541838 /nfs/dbraw/zinc/54/18/38/1260541838.db2.gz VFWSOGNESDCJRP-QGZVFWFLSA-N 2 2 358.490 0.886 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@H+]3C3CCOCC3)n2C)CC1 ZINC001338034302 1260541845 /nfs/dbraw/zinc/54/18/45/1260541845.db2.gz VFWSOGNESDCJRP-QGZVFWFLSA-N 2 2 358.490 0.886 20 30 FCEDLP C[N@@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258971 1261043022 /nfs/dbraw/zinc/04/30/22/1261043022.db2.gz USQZAKANISIMQJ-QTUASDBPSA-N 2 2 360.502 0.914 20 30 FCEDLP C[N@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258971 1261043025 /nfs/dbraw/zinc/04/30/25/1261043025.db2.gz USQZAKANISIMQJ-QTUASDBPSA-N 2 2 360.502 0.914 20 30 FCEDLP C[NH+]1CCC[C@@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258971 1261043029 /nfs/dbraw/zinc/04/30/29/1261043029.db2.gz USQZAKANISIMQJ-QTUASDBPSA-N 2 2 360.502 0.914 20 30 FCEDLP C[NH+]1CCC[C@@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280258971 1261043033 /nfs/dbraw/zinc/04/30/33/1261043033.db2.gz USQZAKANISIMQJ-QTUASDBPSA-N 2 2 360.502 0.914 20 30 FCEDLP Cn1cc(C[N@@H+]2CCC3(CN(C(=O)N4CC[NH+](C)CC4)C3)C2)cc1C#N ZINC001280303527 1261052302 /nfs/dbraw/zinc/05/23/02/1261052302.db2.gz WHCLUVCDAICQDX-UHFFFAOYSA-N 2 2 356.474 0.772 20 30 FCEDLP Cn1cc(C[N@H+]2CCC3(CN(C(=O)N4CC[NH+](C)CC4)C3)C2)cc1C#N ZINC001280303527 1261052307 /nfs/dbraw/zinc/05/23/07/1261052307.db2.gz WHCLUVCDAICQDX-UHFFFAOYSA-N 2 2 356.474 0.772 20 30 FCEDLP C#CCC[NH+]1CCN(C(=O)/C=C(\C)C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC001527631681 1266908977 /nfs/dbraw/zinc/90/89/77/1266908977.db2.gz MOALLDORSJFVAS-VHEBQXMUSA-N 2 2 370.497 0.268 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001574706409 1271496553 /nfs/dbraw/zinc/49/65/53/1271496553.db2.gz BZEPLJKAYVYFME-IXDOHACOSA-N 2 2 358.490 0.883 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CC3(CC3)C[NH2+]2)CC1 ZINC001574707498 1271497937 /nfs/dbraw/zinc/49/79/37/1271497937.db2.gz UJDVKYMNHVJQKD-INIZCTEOSA-N 2 2 358.490 0.712 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CC3(CC3)C[NH2+]2)CC1 ZINC001574707499 1271498662 /nfs/dbraw/zinc/49/86/62/1271498662.db2.gz UJDVKYMNHVJQKD-MRXNPFEDSA-N 2 2 358.490 0.712 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001574707784 1271498687 /nfs/dbraw/zinc/49/86/87/1271498687.db2.gz ZRGFFVCRKAOKFH-ZWKOTPCHSA-N 2 2 372.517 0.927 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2([NH3+])COC2)CC1 ZINC001574707417 1271498719 /nfs/dbraw/zinc/49/87/19/1271498719.db2.gz RRSCBBQXPBQWOJ-OAHLLOKOSA-N 2 2 360.462 0.003 20 30 FCEDLP C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001576069255 1272824753 /nfs/dbraw/zinc/82/47/53/1272824753.db2.gz AUUIPMNXYQIQIB-FPCVCCKLSA-N 2 2 361.494 0.942 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001588351515 1282448028 /nfs/dbraw/zinc/44/80/28/1282448028.db2.gz XQKGRGPKEOAYKG-CJNGLKHVSA-N 2 2 366.429 0.054 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001588351515 1282448033 /nfs/dbraw/zinc/44/80/33/1282448033.db2.gz XQKGRGPKEOAYKG-CJNGLKHVSA-N 2 2 366.429 0.054 20 30 FCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609057184 1288891712 /nfs/dbraw/zinc/89/17/12/1288891712.db2.gz CTKICQGUZMDKLA-MRXNPFEDSA-N 2 2 358.446 0.846 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001689236689 1294698059 /nfs/dbraw/zinc/69/80/59/1294698059.db2.gz PGRIJKDYHVSWQV-XHSDSOJGSA-N 2 2 357.458 0.179 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001689236689 1294698064 /nfs/dbraw/zinc/69/80/64/1294698064.db2.gz PGRIJKDYHVSWQV-XHSDSOJGSA-N 2 2 357.458 0.179 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001689336233 1294756116 /nfs/dbraw/zinc/75/61/16/1294756116.db2.gz GEGCMMLLLXUQFZ-WBVHZDCISA-N 2 2 359.474 0.971 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001689336233 1294756122 /nfs/dbraw/zinc/75/61/22/1294756122.db2.gz GEGCMMLLLXUQFZ-WBVHZDCISA-N 2 2 359.474 0.971 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070296416 837644228 /nfs/dbraw/zinc/64/42/28/837644228.db2.gz LZMPZHKJFNKKIF-CABCVRRESA-N 2 2 368.869 0.094 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645302 837876127 /nfs/dbraw/zinc/87/61/27/837876127.db2.gz XKCWXMBOHKTSPM-XKQJLSEDSA-N 2 2 360.483 0.983 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645302 837876134 /nfs/dbraw/zinc/87/61/34/837876134.db2.gz XKCWXMBOHKTSPM-XKQJLSEDSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645302 837876147 /nfs/dbraw/zinc/87/61/47/837876147.db2.gz XKCWXMBOHKTSPM-XKQJLSEDSA-N 2 2 360.483 0.983 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001075645302 837876160 /nfs/dbraw/zinc/87/61/60/837876160.db2.gz XKCWXMBOHKTSPM-XKQJLSEDSA-N 2 2 360.483 0.983 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112193069 846451384 /nfs/dbraw/zinc/45/13/84/846451384.db2.gz IXGUNIKKPAXYIN-ZIAGYGMSSA-N 2 2 358.364 0.591 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206333 846462168 /nfs/dbraw/zinc/46/21/68/846462168.db2.gz NQVYVRWAEZGEFM-RRFJBIMHSA-N 2 2 361.408 0.957 20 30 FCEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802072 849045521 /nfs/dbraw/zinc/04/55/21/849045521.db2.gz AHDHSEZRXJBXQX-QWHCGFSZSA-N 2 2 370.885 0.935 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316775 849097009 /nfs/dbraw/zinc/09/70/09/849097009.db2.gz VURREGIJUGMBKQ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316775 849097016 /nfs/dbraw/zinc/09/70/16/849097016.db2.gz VURREGIJUGMBKQ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316775 849097025 /nfs/dbraw/zinc/09/70/25/849097025.db2.gz VURREGIJUGMBKQ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316775 849097033 /nfs/dbraw/zinc/09/70/33/849097033.db2.gz VURREGIJUGMBKQ-OAGGEKHMSA-N 2 2 350.463 0.620 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321381 852578750 /nfs/dbraw/zinc/57/87/50/852578750.db2.gz UTPQOMQBGOWHEI-IAGOWNOFSA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321381 852578756 /nfs/dbraw/zinc/57/87/56/852578756.db2.gz UTPQOMQBGOWHEI-IAGOWNOFSA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321381 852578757 /nfs/dbraw/zinc/57/87/57/852578757.db2.gz UTPQOMQBGOWHEI-IAGOWNOFSA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321381 852578761 /nfs/dbraw/zinc/57/87/61/852578761.db2.gz UTPQOMQBGOWHEI-IAGOWNOFSA-N 2 2 351.491 0.451 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401095 854464236 /nfs/dbraw/zinc/46/42/36/854464236.db2.gz FCBWRGAQXKMFRJ-KZNAEPCWSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401095 854464239 /nfs/dbraw/zinc/46/42/39/854464239.db2.gz FCBWRGAQXKMFRJ-KZNAEPCWSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401095 854464242 /nfs/dbraw/zinc/46/42/42/854464242.db2.gz FCBWRGAQXKMFRJ-KZNAEPCWSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401095 854464245 /nfs/dbraw/zinc/46/42/45/854464245.db2.gz FCBWRGAQXKMFRJ-KZNAEPCWSA-N 2 2 351.491 0.430 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495839 854501673 /nfs/dbraw/zinc/50/16/73/854501673.db2.gz PSFBEVXWVRQHOY-HZPDHXFCSA-N 2 2 352.435 0.368 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495839 854501675 /nfs/dbraw/zinc/50/16/75/854501675.db2.gz PSFBEVXWVRQHOY-HZPDHXFCSA-N 2 2 352.435 0.368 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)[NH+](C)C ZINC001219842715 855842197 /nfs/dbraw/zinc/84/21/97/855842197.db2.gz VEGJBEZROYWEME-PMPSAXMXSA-N 2 2 350.488 0.867 20 30 FCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)[NH+](C)C ZINC001219842715 855842199 /nfs/dbraw/zinc/84/21/99/855842199.db2.gz VEGJBEZROYWEME-PMPSAXMXSA-N 2 2 350.488 0.867 20 30 FCEDLP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000285004057 213265373 /nfs/dbraw/zinc/26/53/73/213265373.db2.gz TXHPRWLVHVEYLT-UHFFFAOYSA-N 2 2 369.469 0.413 20 30 FCEDLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419952325 246385416 /nfs/dbraw/zinc/38/54/16/246385416.db2.gz KEWXUWDCJUZJJM-SFHVURJKSA-N 2 2 371.485 0.692 20 30 FCEDLP C=CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683674 248010901 /nfs/dbraw/zinc/01/09/01/248010901.db2.gz RNOIJYKHIAPELX-CQSZACIVSA-N 2 2 360.462 0.376 20 30 FCEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000077248899 208072166 /nfs/dbraw/zinc/07/21/66/208072166.db2.gz ZGGJNYJFQQOABI-UHFFFAOYSA-N 2 2 374.489 0.919 20 30 FCEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000077248899 208072172 /nfs/dbraw/zinc/07/21/72/208072172.db2.gz ZGGJNYJFQQOABI-UHFFFAOYSA-N 2 2 374.489 0.919 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910992 488899655 /nfs/dbraw/zinc/89/96/55/488899655.db2.gz RBJHWDWQESCFCV-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910992 488899657 /nfs/dbraw/zinc/89/96/57/488899657.db2.gz RBJHWDWQESCFCV-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051762324 488145123 /nfs/dbraw/zinc/14/51/23/488145123.db2.gz UYUKWRHDCZTMOW-KRWDZBQOSA-N 2 2 360.458 0.198 20 30 FCEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000078606595 488423497 /nfs/dbraw/zinc/42/34/97/488423497.db2.gz WHGKAXGWCCKEIM-UHFFFAOYSA-N 2 2 357.462 0.910 20 30 FCEDLP C=C(C)C[N@H+](CC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000078606595 488423499 /nfs/dbraw/zinc/42/34/99/488423499.db2.gz WHGKAXGWCCKEIM-UHFFFAOYSA-N 2 2 357.462 0.910 20 30 FCEDLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000562911370 491200827 /nfs/dbraw/zinc/20/08/27/491200827.db2.gz HIZIUDCCIDSTFM-UHFFFAOYSA-N 2 2 358.427 0.901 20 30 FCEDLP C=CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000271394728 488519189 /nfs/dbraw/zinc/51/91/89/488519189.db2.gz KNZZWAHSJTZBOF-UHFFFAOYSA-N 2 2 355.446 0.662 20 30 FCEDLP C=CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000271394728 488519192 /nfs/dbraw/zinc/51/91/92/488519192.db2.gz KNZZWAHSJTZBOF-UHFFFAOYSA-N 2 2 355.446 0.662 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000112904630 488536138 /nfs/dbraw/zinc/53/61/38/488536138.db2.gz DQEVUDGWQFLJMA-LJQANCHMSA-N 2 2 356.470 0.573 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000112904630 488536141 /nfs/dbraw/zinc/53/61/41/488536141.db2.gz DQEVUDGWQFLJMA-LJQANCHMSA-N 2 2 356.470 0.573 20 30 FCEDLP C=C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000264456839 488675966 /nfs/dbraw/zinc/67/59/66/488675966.db2.gz JHXMUYWJBMSFQN-UHFFFAOYSA-N 2 2 355.446 0.664 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000364752863 488997094 /nfs/dbraw/zinc/99/70/94/488997094.db2.gz CXIFEGGXVSJXEZ-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000364752863 488997095 /nfs/dbraw/zinc/99/70/95/488997095.db2.gz CXIFEGGXVSJXEZ-OAHLLOKOSA-N 2 2 373.432 0.921 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329989685 489058887 /nfs/dbraw/zinc/05/88/87/489058887.db2.gz IGLMBGILZCOYFZ-KRWDZBQOSA-N 2 2 362.478 0.931 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329989685 489058888 /nfs/dbraw/zinc/05/88/88/489058888.db2.gz IGLMBGILZCOYFZ-KRWDZBQOSA-N 2 2 362.478 0.931 20 30 FCEDLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000330122214 489070990 /nfs/dbraw/zinc/07/09/90/489070990.db2.gz ABPPTNJAXLPGRJ-SJORKVTESA-N 2 2 368.522 0.979 20 30 FCEDLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000330122214 489070991 /nfs/dbraw/zinc/07/09/91/489070991.db2.gz ABPPTNJAXLPGRJ-SJORKVTESA-N 2 2 368.522 0.979 20 30 FCEDLP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000330224461 489081864 /nfs/dbraw/zinc/08/18/64/489081864.db2.gz NSMQBXMLOJCIPX-KURKYZTESA-N 2 2 367.538 0.579 20 30 FCEDLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000331231490 489188506 /nfs/dbraw/zinc/18/85/06/489188506.db2.gz IFINUIGWGWJRDN-KCQAQPDRSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000331231490 489188507 /nfs/dbraw/zinc/18/85/07/489188507.db2.gz IFINUIGWGWJRDN-KCQAQPDRSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000331231490 489188508 /nfs/dbraw/zinc/18/85/08/489188508.db2.gz IFINUIGWGWJRDN-KCQAQPDRSA-N 2 2 350.467 0.783 20 30 FCEDLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000331231490 489188509 /nfs/dbraw/zinc/18/85/09/489188509.db2.gz IFINUIGWGWJRDN-KCQAQPDRSA-N 2 2 350.467 0.783 20 30 FCEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331296477 489195374 /nfs/dbraw/zinc/19/53/74/489195374.db2.gz NGRXTQURSDZHJZ-HNNXBMFYSA-N 2 2 353.511 0.915 20 30 FCEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000331318026 489197240 /nfs/dbraw/zinc/19/72/40/489197240.db2.gz GOSBBAGXYDJMSS-HZPDHXFCSA-N 2 2 353.511 0.869 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000283921021 489299479 /nfs/dbraw/zinc/29/94/79/489299479.db2.gz GOSFNKGLXHFCBJ-DLBZAZTESA-N 2 2 366.506 0.248 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000283921021 489299481 /nfs/dbraw/zinc/29/94/81/489299481.db2.gz GOSFNKGLXHFCBJ-DLBZAZTESA-N 2 2 366.506 0.248 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000283921024 489299605 /nfs/dbraw/zinc/29/96/05/489299605.db2.gz GOSFNKGLXHFCBJ-IAGOWNOFSA-N 2 2 366.506 0.248 20 30 FCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000283921024 489299608 /nfs/dbraw/zinc/29/96/08/489299608.db2.gz GOSFNKGLXHFCBJ-IAGOWNOFSA-N 2 2 366.506 0.248 20 30 FCEDLP OCC[NH+](CC#CC[N@@H+](CCO)Cc1cccnc1)Cc1cccnc1 ZINC000283939502 489299662 /nfs/dbraw/zinc/29/96/62/489299662.db2.gz CZONRMXEOVNCTD-UHFFFAOYSA-N 2 2 354.454 0.769 20 30 FCEDLP OCC[NH+](CC#CC[N@H+](CCO)Cc1cccnc1)Cc1cccnc1 ZINC000283939502 489299665 /nfs/dbraw/zinc/29/96/65/489299665.db2.gz CZONRMXEOVNCTD-UHFFFAOYSA-N 2 2 354.454 0.769 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CCCOCC3)=[NH+]C[C@@H]2C1 ZINC000372599920 489606192 /nfs/dbraw/zinc/60/61/92/489606192.db2.gz MVRUKVXEIJKTTE-OAHLLOKOSA-N 2 2 367.494 0.589 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CCCOCC3)=[NH+]C[C@@H]2C1 ZINC000372599920 489606193 /nfs/dbraw/zinc/60/61/93/489606193.db2.gz MVRUKVXEIJKTTE-OAHLLOKOSA-N 2 2 367.494 0.589 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC2)CC1 ZINC000422115987 490166677 /nfs/dbraw/zinc/16/66/77/490166677.db2.gz NPAZNRAJWPVDBP-MRXNPFEDSA-N 2 2 363.506 0.623 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC2)CC1 ZINC000422115987 490166684 /nfs/dbraw/zinc/16/66/84/490166684.db2.gz NPAZNRAJWPVDBP-MRXNPFEDSA-N 2 2 363.506 0.623 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+] ZINC000423013024 490519373 /nfs/dbraw/zinc/51/93/73/490519373.db2.gz LWIYGNWHSWOMPK-YJBOKZPZSA-N 2 2 369.469 0.398 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000528424918 490796733 /nfs/dbraw/zinc/79/67/33/490796733.db2.gz ZBCGHUMOOYFMIL-MSOLQXFVSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000528424918 490796735 /nfs/dbraw/zinc/79/67/35/490796735.db2.gz ZBCGHUMOOYFMIL-MSOLQXFVSA-N 2 2 372.469 0.712 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H](C[NH3+])C1 ZINC000573461137 491435281 /nfs/dbraw/zinc/43/52/81/491435281.db2.gz RQQXQGXAPNFNBO-ZDUSSCGKSA-N 2 2 357.393 0.990 20 30 FCEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000580941864 491752498 /nfs/dbraw/zinc/75/24/98/491752498.db2.gz FLMRPZMBRQSVTO-IAGOWNOFSA-N 2 2 370.457 0.338 20 30 FCEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000580941864 491752499 /nfs/dbraw/zinc/75/24/99/491752499.db2.gz FLMRPZMBRQSVTO-IAGOWNOFSA-N 2 2 370.457 0.338 20 30 FCEDLP N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429280 492287940 /nfs/dbraw/zinc/28/79/40/492287940.db2.gz YONKBLWBPSAKCI-OWCLPIDISA-N 2 2 359.499 0.608 20 30 FCEDLP N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000611429280 492287941 /nfs/dbraw/zinc/28/79/41/492287941.db2.gz YONKBLWBPSAKCI-OWCLPIDISA-N 2 2 359.499 0.608 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262395392 527384895 /nfs/dbraw/zinc/38/48/95/527384895.db2.gz MXQXZJMCXVIRBV-JKSUJKDBSA-N 2 2 354.520 0.721 20 30 FCEDLP CC[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261994177 528805380 /nfs/dbraw/zinc/80/53/80/528805380.db2.gz RYYHLQHLBYUDQW-UONOGXRCSA-N 2 2 361.450 0.283 20 30 FCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178632 529101063 /nfs/dbraw/zinc/10/10/63/529101063.db2.gz KGTMVRZBDVUDKN-DOTOQJQBSA-N 3 2 355.552 0.583 20 30 FCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178632 529101068 /nfs/dbraw/zinc/10/10/68/529101068.db2.gz KGTMVRZBDVUDKN-DOTOQJQBSA-N 3 2 355.552 0.583 20 30 FCEDLP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000330177652 546585982 /nfs/dbraw/zinc/58/59/82/546585982.db2.gz KXRYRXAYZIRZBI-OIISXLGYSA-N 2 2 354.495 0.589 20 30 FCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001020420377 663148332 /nfs/dbraw/zinc/14/83/32/663148332.db2.gz UGFYECSAEPTNER-FPCVCCKLSA-N 2 2 357.882 0.856 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288786 667727444 /nfs/dbraw/zinc/72/74/44/667727444.db2.gz DCPOKGVSVVFANB-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288786 667727448 /nfs/dbraw/zinc/72/74/48/667727448.db2.gz DCPOKGVSVVFANB-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412524 673452076 /nfs/dbraw/zinc/45/20/76/673452076.db2.gz SQGKMEJIFJPMEQ-CVEARBPZSA-N 2 2 352.479 0.060 20 30 FCEDLP C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412524 673452079 /nfs/dbraw/zinc/45/20/79/673452079.db2.gz SQGKMEJIFJPMEQ-CVEARBPZSA-N 2 2 352.479 0.060 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C)CC1 ZINC000988505714 1192234906 /nfs/dbraw/zinc/23/49/06/1192234906.db2.gz BYNGHGLNKWYWRQ-AEFFLSMTSA-N 2 2 371.485 0.724 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167270849 1168481877 /nfs/dbraw/zinc/48/18/77/1168481877.db2.gz BGEXAAGYSKWEAY-BZUAXINKSA-N 2 2 371.485 0.538 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001022843511 1172052413 /nfs/dbraw/zinc/05/24/13/1172052413.db2.gz NRGAXTDAOJLYPW-FUHWJXTLSA-N 2 2 369.469 0.357 20 30 FCEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506140 1179823329 /nfs/dbraw/zinc/82/33/29/1179823329.db2.gz IEJOAQOIUKQNRX-OTWHNJEPSA-N 2 2 363.502 0.718 20 30 FCEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023506140 1179823331 /nfs/dbraw/zinc/82/33/31/1179823331.db2.gz IEJOAQOIUKQNRX-OTWHNJEPSA-N 2 2 363.502 0.718 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738187 1182410854 /nfs/dbraw/zinc/41/08/54/1182410854.db2.gz KAGXZUXOAOBOAK-IXDOHACOSA-N 2 2 359.474 0.658 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908681 1182991152 /nfs/dbraw/zinc/99/11/52/1182991152.db2.gz HEGJPOOZAFMPHH-BZUAXINKSA-N 2 2 361.490 0.728 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC000974543954 1183315610 /nfs/dbraw/zinc/31/56/10/1183315610.db2.gz QLBDHLPHOHYWEK-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC000974543954 1183315620 /nfs/dbraw/zinc/31/56/20/1183315620.db2.gz QLBDHLPHOHYWEK-FGTMMUONSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981625750 1186468307 /nfs/dbraw/zinc/46/83/07/1186468307.db2.gz RLYIXKKGFNEMMA-KSZLIROESA-N 2 2 371.485 0.690 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981625750 1186468310 /nfs/dbraw/zinc/46/83/10/1186468310.db2.gz RLYIXKKGFNEMMA-KSZLIROESA-N 2 2 371.485 0.690 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181084 1224146177 /nfs/dbraw/zinc/14/61/77/1224146177.db2.gz RYJVHXULTNNZIM-BPQIPLTHSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181084 1224146178 /nfs/dbraw/zinc/14/61/78/1224146178.db2.gz RYJVHXULTNNZIM-BPQIPLTHSA-N 2 2 360.458 0.560 20 30 FCEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666426 1193891691 /nfs/dbraw/zinc/89/16/91/1193891691.db2.gz FNDXLOCMPMOPLC-HNBVOPMISA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083535941 1194227225 /nfs/dbraw/zinc/22/72/25/1194227225.db2.gz VPKDVJBPSPSFRB-QYZOEREBSA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083535941 1194227229 /nfs/dbraw/zinc/22/72/29/1194227229.db2.gz VPKDVJBPSPSFRB-QYZOEREBSA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083535941 1194227232 /nfs/dbraw/zinc/22/72/32/1194227232.db2.gz VPKDVJBPSPSFRB-QYZOEREBSA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083535941 1194227236 /nfs/dbraw/zinc/22/72/36/1194227236.db2.gz VPKDVJBPSPSFRB-QYZOEREBSA-N 2 2 363.502 0.452 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)CC1 ZINC001076604454 1194592824 /nfs/dbraw/zinc/59/28/24/1194592824.db2.gz GWZGIYGUNLQSHN-FUHWJXTLSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)CC1 ZINC001076604454 1194592825 /nfs/dbraw/zinc/59/28/25/1194592825.db2.gz GWZGIYGUNLQSHN-FUHWJXTLSA-N 2 2 357.458 0.756 20 30 FCEDLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218971269 1224275695 /nfs/dbraw/zinc/27/56/95/1224275695.db2.gz VWELXDXIZSHOHH-VQTJNVASSA-N 2 2 371.481 0.528 20 30 FCEDLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218971269 1224275702 /nfs/dbraw/zinc/27/57/02/1224275702.db2.gz VWELXDXIZSHOHH-VQTJNVASSA-N 2 2 371.481 0.528 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077394941 1195491491 /nfs/dbraw/zinc/49/14/91/1195491491.db2.gz LGMSOJWNSVZKHV-QZTJIDSGSA-N 2 2 369.425 0.455 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077394941 1195491501 /nfs/dbraw/zinc/49/15/01/1195491501.db2.gz LGMSOJWNSVZKHV-QZTJIDSGSA-N 2 2 369.425 0.455 20 30 FCEDLP COCCOc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1OCCOC ZINC001219158303 1224370748 /nfs/dbraw/zinc/37/07/48/1224370748.db2.gz VCMZAWLUTQPWNM-ZDUSSCGKSA-N 2 2 366.418 0.223 20 30 FCEDLP Cn1c[nH+]c(CCNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)c1 ZINC001219633818 1224539554 /nfs/dbraw/zinc/53/95/54/1224539554.db2.gz FPRQWYOKNDNYDQ-HOTGVXAUSA-N 2 2 373.482 0.991 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109303429 1200159930 /nfs/dbraw/zinc/15/99/30/1200159930.db2.gz XKAIDCPWYWSWFO-PVAVHDDUSA-N 2 2 374.489 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109303429 1200159932 /nfs/dbraw/zinc/15/99/32/1200159932.db2.gz XKAIDCPWYWSWFO-PVAVHDDUSA-N 2 2 374.489 0.082 20 30 FCEDLP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)c1cc[nH+]cc1 ZINC001109466919 1200305217 /nfs/dbraw/zinc/30/52/17/1200305217.db2.gz DVQYUCXOLCHAHI-IKGGRYGDSA-N 2 2 370.457 0.269 20 30 FCEDLP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)c1cc[nH+]cc1 ZINC001109466919 1200305229 /nfs/dbraw/zinc/30/52/29/1200305229.db2.gz DVQYUCXOLCHAHI-IKGGRYGDSA-N 2 2 370.457 0.269 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474591 1200309104 /nfs/dbraw/zinc/30/91/04/1200309104.db2.gz ZWBQHVAGHYKRJO-OWSLCNJRSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474591 1200309116 /nfs/dbraw/zinc/30/91/16/1200309116.db2.gz ZWBQHVAGHYKRJO-OWSLCNJRSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474591 1200309127 /nfs/dbraw/zinc/30/91/27/1200309127.db2.gz ZWBQHVAGHYKRJO-OWSLCNJRSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474591 1200309140 /nfs/dbraw/zinc/30/91/40/1200309140.db2.gz ZWBQHVAGHYKRJO-OWSLCNJRSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555425 1200386889 /nfs/dbraw/zinc/38/68/89/1200386889.db2.gz PYTSKRJFPYAWTM-DFEOGRTESA-N 2 2 358.486 0.332 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555425 1200386896 /nfs/dbraw/zinc/38/68/96/1200386896.db2.gz PYTSKRJFPYAWTM-DFEOGRTESA-N 2 2 358.486 0.332 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109635628 1200433426 /nfs/dbraw/zinc/43/34/26/1200433426.db2.gz LJXITYQNJZEQAQ-YVSFHVDLSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109635628 1200433436 /nfs/dbraw/zinc/43/34/36/1200433436.db2.gz LJXITYQNJZEQAQ-YVSFHVDLSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001109635628 1200433443 /nfs/dbraw/zinc/43/34/43/1200433443.db2.gz LJXITYQNJZEQAQ-YVSFHVDLSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001109635628 1200433447 /nfs/dbraw/zinc/43/34/47/1200433447.db2.gz LJXITYQNJZEQAQ-YVSFHVDLSA-N 2 2 361.490 0.470 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902320 1200599944 /nfs/dbraw/zinc/59/99/44/1200599944.db2.gz BQVQMYOYWBEWQY-PVAVHDDUSA-N 2 2 364.490 0.121 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902320 1200599952 /nfs/dbraw/zinc/59/99/52/1200599952.db2.gz BQVQMYOYWBEWQY-PVAVHDDUSA-N 2 2 364.490 0.121 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981386 1200667195 /nfs/dbraw/zinc/66/71/95/1200667195.db2.gz QVKUGAPXSANBJW-IKGGRYGDSA-N 2 2 373.501 0.566 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981386 1200667203 /nfs/dbraw/zinc/66/72/03/1200667203.db2.gz QVKUGAPXSANBJW-IKGGRYGDSA-N 2 2 373.501 0.566 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570374 1200803261 /nfs/dbraw/zinc/80/32/61/1200803261.db2.gz SXACTNPGRUYAQL-KXBFYZLASA-N 2 2 357.458 0.228 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902657 1201434512 /nfs/dbraw/zinc/43/45/12/1201434512.db2.gz XAWZGWSMDFVEIU-ZACQAIPSSA-N 2 2 355.446 0.737 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918544 1201440962 /nfs/dbraw/zinc/44/09/62/1201440962.db2.gz CQKSYZXMELUHSL-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130085962 1201494382 /nfs/dbraw/zinc/49/43/82/1201494382.db2.gz FXIPEDNBAKFKSQ-UAGQMJEPSA-N 2 2 357.462 0.951 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130193421 1201531961 /nfs/dbraw/zinc/53/19/61/1201531961.db2.gz XBPBJHAZGSQUDN-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130193421 1201531964 /nfs/dbraw/zinc/53/19/64/1201531964.db2.gz XBPBJHAZGSQUDN-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130193421 1201531967 /nfs/dbraw/zinc/53/19/67/1201531967.db2.gz XBPBJHAZGSQUDN-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193421 1201531970 /nfs/dbraw/zinc/53/19/70/1201531970.db2.gz XBPBJHAZGSQUDN-ZNMIVQPWSA-N 2 2 362.478 0.553 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cn(C)cn1 ZINC001130619134 1202737876 /nfs/dbraw/zinc/73/78/76/1202737876.db2.gz CSVFMQZHGVLOQJ-MAUKXSAKSA-N 2 2 370.457 0.691 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001130772704 1202787965 /nfs/dbraw/zinc/78/79/65/1202787965.db2.gz YCSYWQMUDCXRHY-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772704 1202787970 /nfs/dbraw/zinc/78/79/70/1202787970.db2.gz YCSYWQMUDCXRHY-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809436 1202802389 /nfs/dbraw/zinc/80/23/89/1202802389.db2.gz YIHMGIPQYXXRFX-QLFBSQMISA-N 2 2 362.478 0.758 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809436 1202802390 /nfs/dbraw/zinc/80/23/90/1202802390.db2.gz YIHMGIPQYXXRFX-QLFBSQMISA-N 2 2 362.478 0.758 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130815951 1202806944 /nfs/dbraw/zinc/80/69/44/1202806944.db2.gz HYCWNAPZUGGCNA-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130815951 1202806945 /nfs/dbraw/zinc/80/69/45/1202806945.db2.gz HYCWNAPZUGGCNA-LSDHHAIUSA-N 2 2 362.478 0.596 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817116 1202807716 /nfs/dbraw/zinc/80/77/16/1202807716.db2.gz ACQRHOLBJYNTJV-LSDHHAIUSA-N 2 2 360.462 0.350 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973107 1202832548 /nfs/dbraw/zinc/83/25/48/1202832548.db2.gz PUHHHKZQVSDLCJ-HZPDHXFCSA-N 2 2 370.457 0.310 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131017876 1202843629 /nfs/dbraw/zinc/84/36/29/1202843629.db2.gz PZLSEGCXRHPTSG-CGTJXYLNSA-N 2 2 366.469 0.787 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038581 1202849449 /nfs/dbraw/zinc/84/94/49/1202849449.db2.gz YOAGNDAMFUCXJI-IAGOWNOFSA-N 2 2 370.457 0.241 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131075973 1202859745 /nfs/dbraw/zinc/85/97/45/1202859745.db2.gz BZVWJYXIYFBRGB-QBPKDAKJSA-N 2 2 366.469 0.865 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313279 1202887496 /nfs/dbraw/zinc/88/74/96/1202887496.db2.gz MQAOEUNUNAGNCH-XHSDSOJGSA-N 2 2 362.474 0.620 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313279 1202887498 /nfs/dbraw/zinc/88/74/98/1202887498.db2.gz MQAOEUNUNAGNCH-XHSDSOJGSA-N 2 2 362.474 0.620 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585301 1202918251 /nfs/dbraw/zinc/91/82/51/1202918251.db2.gz SBJZINVEKQXBAU-APWZRJJASA-N 2 2 360.458 0.588 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984757 1204879678 /nfs/dbraw/zinc/87/96/78/1204879678.db2.gz BXWBSHDIFUOQBY-BHYGNILZSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001110146370 1206091321 /nfs/dbraw/zinc/09/13/21/1206091321.db2.gz XKQMLASMSBKWMQ-QYZOEREBSA-N 2 2 372.513 0.579 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001110146370 1206091324 /nfs/dbraw/zinc/09/13/24/1206091324.db2.gz XKQMLASMSBKWMQ-QYZOEREBSA-N 2 2 372.513 0.579 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)C1=O ZINC001093813466 1206133687 /nfs/dbraw/zinc/13/36/87/1206133687.db2.gz MFCSEMZKGDGXAE-BFYDXBDKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001093813466 1206133690 /nfs/dbraw/zinc/13/36/90/1206133690.db2.gz MFCSEMZKGDGXAE-BFYDXBDKSA-N 2 2 359.474 0.813 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568290 1224936285 /nfs/dbraw/zinc/93/62/85/1224936285.db2.gz FMEQGYIXOIRFGF-BBWFWOEESA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568290 1224936291 /nfs/dbraw/zinc/93/62/91/1224936291.db2.gz FMEQGYIXOIRFGF-BBWFWOEESA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568290 1224936295 /nfs/dbraw/zinc/93/62/95/1224936295.db2.gz FMEQGYIXOIRFGF-BBWFWOEESA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568290 1224936302 /nfs/dbraw/zinc/93/63/02/1224936302.db2.gz FMEQGYIXOIRFGF-BBWFWOEESA-N 2 2 368.522 0.351 20 30 FCEDLP C[NH+]1CCN(C(=[NH2+])NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173424674 1206273016 /nfs/dbraw/zinc/27/30/16/1206273016.db2.gz DIWVFWIKSNQJNL-UHFFFAOYSA-N 2 2 354.458 0.935 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001183043548 1206447800 /nfs/dbraw/zinc/44/78/00/1206447800.db2.gz TVMIVZQPDIPTHX-UHFFFAOYSA-N 2 2 355.446 0.907 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001189425392 1207547099 /nfs/dbraw/zinc/54/70/99/1207547099.db2.gz MRSOSNGHRRKJGN-ZWKOTPCHSA-N 2 2 369.469 0.534 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001189425392 1207547103 /nfs/dbraw/zinc/54/71/03/1207547103.db2.gz MRSOSNGHRRKJGN-ZWKOTPCHSA-N 2 2 369.469 0.534 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999772 1207635216 /nfs/dbraw/zinc/63/52/16/1207635216.db2.gz ZBIFIRIAVBDKLH-YQQAZPJKSA-N 2 2 357.458 0.023 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999772 1207635219 /nfs/dbraw/zinc/63/52/19/1207635219.db2.gz ZBIFIRIAVBDKLH-YQQAZPJKSA-N 2 2 357.458 0.023 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197048865 1208130883 /nfs/dbraw/zinc/13/08/83/1208130883.db2.gz HVGBXHYJGSMYRP-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197048865 1208130885 /nfs/dbraw/zinc/13/08/85/1208130885.db2.gz HVGBXHYJGSMYRP-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690711 1208186792 /nfs/dbraw/zinc/18/67/92/1208186792.db2.gz WZEQVOCVIBDMPK-QWFCFKBJSA-N 2 2 361.486 0.827 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690711 1208186796 /nfs/dbraw/zinc/18/67/96/1208186796.db2.gz WZEQVOCVIBDMPK-QWFCFKBJSA-N 2 2 361.486 0.827 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198003951 1208210740 /nfs/dbraw/zinc/21/07/40/1208210740.db2.gz OYJMXTVQZVJDPL-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198003951 1208210742 /nfs/dbraw/zinc/21/07/42/1208210742.db2.gz OYJMXTVQZVJDPL-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198003951 1208210743 /nfs/dbraw/zinc/21/07/43/1208210743.db2.gz OYJMXTVQZVJDPL-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198003951 1208210745 /nfs/dbraw/zinc/21/07/45/1208210745.db2.gz OYJMXTVQZVJDPL-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220817428 1225086910 /nfs/dbraw/zinc/08/69/10/1225086910.db2.gz WFYGZGXJQNLNHZ-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220817428 1225086922 /nfs/dbraw/zinc/08/69/22/1225086922.db2.gz WFYGZGXJQNLNHZ-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220817428 1225086929 /nfs/dbraw/zinc/08/69/29/1225086929.db2.gz WFYGZGXJQNLNHZ-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O ZINC001220817428 1225086933 /nfs/dbraw/zinc/08/69/33/1225086933.db2.gz WFYGZGXJQNLNHZ-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809986 1209890698 /nfs/dbraw/zinc/89/06/98/1209890698.db2.gz AHQRRMROBMIZEJ-NZPGVSJUSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809986 1209890700 /nfs/dbraw/zinc/89/07/00/1209890700.db2.gz AHQRRMROBMIZEJ-NZPGVSJUSA-N 2 2 365.437 0.807 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979388 1225171563 /nfs/dbraw/zinc/17/15/63/1225171563.db2.gz KRXHLWITLCMXNK-ZACQAIPSSA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979388 1225171567 /nfs/dbraw/zinc/17/15/67/1225171567.db2.gz KRXHLWITLCMXNK-ZACQAIPSSA-N 2 2 366.506 0.057 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000884045528 1210711249 /nfs/dbraw/zinc/71/12/49/1210711249.db2.gz XFIMKVWSDJHVLG-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000884045528 1210711251 /nfs/dbraw/zinc/71/12/51/1210711251.db2.gz XFIMKVWSDJHVLG-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP Cn1cc(C[NH+]2CC3(CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C3)C2)cc1C#N ZINC001274418810 1211049456 /nfs/dbraw/zinc/04/94/56/1211049456.db2.gz LMLNQEAVNUCUNH-GOSISDBHSA-N 2 2 353.470 0.883 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[NH+]2C)cc1C#N ZINC001274907165 1211141552 /nfs/dbraw/zinc/14/15/52/1211141552.db2.gz BDUQFUYGAAELRI-XSLAGTTESA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[NH+]2C)cc1C#N ZINC001274907165 1211141556 /nfs/dbraw/zinc/14/15/56/1211141556.db2.gz BDUQFUYGAAELRI-XSLAGTTESA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)cc1C#N ZINC001274907165 1211141559 /nfs/dbraw/zinc/14/15/59/1211141559.db2.gz BDUQFUYGAAELRI-XSLAGTTESA-N 2 2 357.458 0.137 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)cc1C#N ZINC001274907165 1211141561 /nfs/dbraw/zinc/14/15/61/1211141561.db2.gz BDUQFUYGAAELRI-XSLAGTTESA-N 2 2 357.458 0.137 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)cc1 ZINC001111145747 1211899259 /nfs/dbraw/zinc/89/92/59/1211899259.db2.gz VBAZEOUWHLBUOI-KURKYZTESA-N 2 2 369.469 0.723 20 30 FCEDLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)cc1 ZINC001111145747 1211899261 /nfs/dbraw/zinc/89/92/61/1211899261.db2.gz VBAZEOUWHLBUOI-KURKYZTESA-N 2 2 369.469 0.723 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000949862102 1212474207 /nfs/dbraw/zinc/47/42/07/1212474207.db2.gz JLGZBIGINUAUJZ-NVXWUHKLSA-N 2 2 357.458 0.191 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000952414522 1212949070 /nfs/dbraw/zinc/94/90/70/1212949070.db2.gz BTDGOZRJCCCSFS-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000952414522 1212949075 /nfs/dbraw/zinc/94/90/75/1212949075.db2.gz BTDGOZRJCCCSFS-OIISXLGYSA-N 2 2 357.458 0.252 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671818 1225431999 /nfs/dbraw/zinc/43/19/99/1225431999.db2.gz IQLGIJRIDOYTDO-QGPMSJSTSA-N 2 2 365.437 0.619 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671818 1225432005 /nfs/dbraw/zinc/43/20/05/1225432005.db2.gz IQLGIJRIDOYTDO-QGPMSJSTSA-N 2 2 365.437 0.619 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872299 1225515639 /nfs/dbraw/zinc/51/56/39/1225515639.db2.gz WKKYSOQZKMARHN-RTBURBONSA-N 2 2 363.502 0.671 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872299 1225515643 /nfs/dbraw/zinc/51/56/43/1225515643.db2.gz WKKYSOQZKMARHN-RTBURBONSA-N 2 2 363.502 0.671 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001000004128 1215987889 /nfs/dbraw/zinc/98/78/89/1215987889.db2.gz FOKBZJRYVHFKGS-IAGOWNOFSA-N 2 2 369.469 0.196 20 30 FCEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)CC1 ZINC001050600259 1216339862 /nfs/dbraw/zinc/33/98/62/1216339862.db2.gz RMKAVXLWGMFJFM-MSOLQXFVSA-N 2 2 363.502 0.977 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@@H]1n1ccnn1 ZINC001069949368 1216861662 /nfs/dbraw/zinc/86/16/62/1216861662.db2.gz UQCCUJPPJWFYFZ-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@@H]1n1ccnn1 ZINC001069949368 1216861665 /nfs/dbraw/zinc/86/16/65/1216861665.db2.gz UQCCUJPPJWFYFZ-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@@H]1n1ccnn1 ZINC001069949368 1216861666 /nfs/dbraw/zinc/86/16/66/1216861666.db2.gz UQCCUJPPJWFYFZ-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@@H]1n1ccnn1 ZINC001069949368 1216861668 /nfs/dbraw/zinc/86/16/68/1216861668.db2.gz UQCCUJPPJWFYFZ-SQNIBIBYSA-N 2 2 356.474 0.683 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069988231 1216885617 /nfs/dbraw/zinc/88/56/17/1216885617.db2.gz NPNZUHHCJYRLDI-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069988231 1216885619 /nfs/dbraw/zinc/88/56/19/1216885619.db2.gz NPNZUHHCJYRLDI-SQNIBIBYSA-N 2 2 356.474 0.517 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045821 1216920696 /nfs/dbraw/zinc/92/06/96/1216920696.db2.gz WHQBFVLHJVDAQX-KURKYZTESA-N 2 2 358.490 0.907 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045821 1216920701 /nfs/dbraw/zinc/92/07/01/1216920701.db2.gz WHQBFVLHJVDAQX-KURKYZTESA-N 2 2 358.490 0.907 20 30 FCEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952177 1218351266 /nfs/dbraw/zinc/35/12/66/1218351266.db2.gz DBWNCZUNLFIMNT-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952177 1218351272 /nfs/dbraw/zinc/35/12/72/1218351272.db2.gz DBWNCZUNLFIMNT-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CC1 ZINC001111455239 1218847301 /nfs/dbraw/zinc/84/73/01/1218847301.db2.gz TZWCCVHHXLZZML-KURKYZTESA-N 2 2 360.502 0.579 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CC1 ZINC001111455239 1218847302 /nfs/dbraw/zinc/84/73/02/1218847302.db2.gz TZWCCVHHXLZZML-KURKYZTESA-N 2 2 360.502 0.579 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227174747 1225865187 /nfs/dbraw/zinc/86/51/87/1225865187.db2.gz ACSGLDGLAABSSV-BZUAXINKSA-N 2 2 359.474 0.765 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227165289 1225865240 /nfs/dbraw/zinc/86/52/40/1225865240.db2.gz LOYMXHHHAZIPLG-ARFHVFGLSA-N 2 2 357.458 0.212 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227127805 1225864293 /nfs/dbraw/zinc/86/42/93/1225864293.db2.gz MFUCAEVEMJZWNK-DJIMGWMZSA-N 2 2 357.458 0.212 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070071978 1219138621 /nfs/dbraw/zinc/13/86/21/1219138621.db2.gz UPTQJYQTTBSNDH-MSOLQXFVSA-N 2 2 356.474 0.375 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070071978 1219138627 /nfs/dbraw/zinc/13/86/27/1219138627.db2.gz UPTQJYQTTBSNDH-MSOLQXFVSA-N 2 2 356.474 0.375 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070077335 1219145997 /nfs/dbraw/zinc/14/59/97/1219145997.db2.gz AJZBVBINBBJCAS-WBVHZDCISA-N 2 2 353.430 0.418 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070077335 1219146002 /nfs/dbraw/zinc/14/60/02/1219146002.db2.gz AJZBVBINBBJCAS-WBVHZDCISA-N 2 2 353.430 0.418 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001070662545 1219513539 /nfs/dbraw/zinc/51/35/39/1219513539.db2.gz XMORUGIINFTURE-USXIJHARSA-N 2 2 354.458 0.949 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC#N ZINC001070671282 1219517925 /nfs/dbraw/zinc/51/79/25/1219517925.db2.gz GWSZYAIREGLLCL-JFIYKMOQSA-N 2 2 356.474 0.702 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913293 1219565766 /nfs/dbraw/zinc/56/57/66/1219565766.db2.gz HKIVMFOXPPSGRH-BBWFWOEESA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913293 1219565770 /nfs/dbraw/zinc/56/57/70/1219565770.db2.gz HKIVMFOXPPSGRH-BBWFWOEESA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913293 1219565774 /nfs/dbraw/zinc/56/57/74/1219565774.db2.gz HKIVMFOXPPSGRH-BBWFWOEESA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913293 1219565780 /nfs/dbraw/zinc/56/57/80/1219565780.db2.gz HKIVMFOXPPSGRH-BBWFWOEESA-N 2 2 362.474 0.763 20 30 FCEDLP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919975 1219575581 /nfs/dbraw/zinc/57/55/81/1219575581.db2.gz ZXRMRFWLTWMPTK-XHSDSOJGSA-N 2 2 359.430 0.634 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919975 1219575585 /nfs/dbraw/zinc/57/55/85/1219575585.db2.gz ZXRMRFWLTWMPTK-XHSDSOJGSA-N 2 2 359.430 0.634 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317087 1220284273 /nfs/dbraw/zinc/28/42/73/1220284273.db2.gz HIHIMCFEEIFITM-MDZRGWNJSA-N 2 2 357.458 0.191 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317087 1220284279 /nfs/dbraw/zinc/28/42/79/1220284279.db2.gz HIHIMCFEEIFITM-MDZRGWNJSA-N 2 2 357.458 0.191 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486870 1220369811 /nfs/dbraw/zinc/36/98/11/1220369811.db2.gz CVRCDYMKZVBQQH-APWZRJJASA-N 2 2 359.474 0.746 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486870 1220369816 /nfs/dbraw/zinc/36/98/16/1220369816.db2.gz CVRCDYMKZVBQQH-APWZRJJASA-N 2 2 359.474 0.746 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488105 1220372033 /nfs/dbraw/zinc/37/20/33/1220372033.db2.gz MJSIJOAASIVKKU-HLIPFELVSA-N 2 2 371.485 0.582 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488105 1220372037 /nfs/dbraw/zinc/37/20/37/1220372037.db2.gz MJSIJOAASIVKKU-HLIPFELVSA-N 2 2 371.485 0.582 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088139 1220491685 /nfs/dbraw/zinc/49/16/85/1220491685.db2.gz OIHTUZBIKQFKHN-IIAWOOMASA-N 2 2 367.453 0.999 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088139 1220491686 /nfs/dbraw/zinc/49/16/86/1220491686.db2.gz OIHTUZBIKQFKHN-IIAWOOMASA-N 2 2 367.453 0.999 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540272 1220688334 /nfs/dbraw/zinc/68/83/34/1220688334.db2.gz GVKNIPKZMKFJSR-OWCLPIDISA-N 2 2 361.490 0.728 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540272 1220688339 /nfs/dbraw/zinc/68/83/39/1220688339.db2.gz GVKNIPKZMKFJSR-OWCLPIDISA-N 2 2 361.490 0.728 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001103162618 1220842167 /nfs/dbraw/zinc/84/21/67/1220842167.db2.gz DDMGHWYTEWCKKU-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001103162618 1220842168 /nfs/dbraw/zinc/84/21/68/1220842168.db2.gz DDMGHWYTEWCKKU-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807872 1221121271 /nfs/dbraw/zinc/12/12/71/1221121271.db2.gz KGCFJESKHNNEDI-BXWFABGCSA-N 2 2 357.458 0.300 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807872 1221121272 /nfs/dbraw/zinc/12/12/72/1221121272.db2.gz KGCFJESKHNNEDI-BXWFABGCSA-N 2 2 357.458 0.300 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826380 1221128478 /nfs/dbraw/zinc/12/84/78/1221128478.db2.gz FZMOIFRFICVDFJ-GJYPPUQNSA-N 2 2 357.458 0.382 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826380 1221128482 /nfs/dbraw/zinc/12/84/82/1221128482.db2.gz FZMOIFRFICVDFJ-GJYPPUQNSA-N 2 2 357.458 0.382 20 30 FCEDLP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580757 1221314817 /nfs/dbraw/zinc/31/48/17/1221314817.db2.gz MRTPAGDLVYSUDQ-HUUCEWRRSA-N 2 2 357.458 0.671 20 30 FCEDLP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580757 1221314823 /nfs/dbraw/zinc/31/48/23/1221314823.db2.gz MRTPAGDLVYSUDQ-HUUCEWRRSA-N 2 2 357.458 0.671 20 30 FCEDLP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000839369630 1222734429 /nfs/dbraw/zinc/73/44/29/1222734429.db2.gz IYACOSLVENMYON-ROUUACIJSA-N 2 2 362.518 0.874 20 30 FCEDLP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000839369630 1222734432 /nfs/dbraw/zinc/73/44/32/1222734432.db2.gz IYACOSLVENMYON-ROUUACIJSA-N 2 2 362.518 0.874 20 30 FCEDLP C[NH+]1CCN(c2cccc(N3CCN(c4nccnc4C#N)CC3)[nH+]2)CC1 ZINC001165113246 1223242088 /nfs/dbraw/zinc/24/20/88/1223242088.db2.gz XKPZDGBJAMITHV-UHFFFAOYSA-N 2 2 364.457 0.822 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961567 1223290688 /nfs/dbraw/zinc/29/06/88/1223290688.db2.gz RXGKDNWMAGAZCQ-HUUCEWRRSA-N 2 2 360.462 0.382 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643650 1223463905 /nfs/dbraw/zinc/46/39/05/1223463905.db2.gz GMQJKOOEZDKRLY-FMKPAKJESA-N 2 2 367.494 0.021 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643650 1223463907 /nfs/dbraw/zinc/46/39/07/1223463907.db2.gz GMQJKOOEZDKRLY-FMKPAKJESA-N 2 2 367.494 0.021 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868359 1223489274 /nfs/dbraw/zinc/48/92/74/1223489274.db2.gz SZCXZXNQWHQTKF-JKIFEVAISA-N 2 2 353.426 0.522 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868359 1223489276 /nfs/dbraw/zinc/48/92/76/1223489276.db2.gz SZCXZXNQWHQTKF-JKIFEVAISA-N 2 2 353.426 0.522 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207965976 1223501331 /nfs/dbraw/zinc/50/13/31/1223501331.db2.gz CNVMMYLZSNLCKX-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207965976 1223501334 /nfs/dbraw/zinc/50/13/34/1223501334.db2.gz CNVMMYLZSNLCKX-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598114 1223562692 /nfs/dbraw/zinc/56/26/92/1223562692.db2.gz XOBDCPYKGWYXPD-SPYBWZPUSA-N 2 2 366.481 0.385 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598114 1223562696 /nfs/dbraw/zinc/56/26/96/1223562696.db2.gz XOBDCPYKGWYXPD-SPYBWZPUSA-N 2 2 366.481 0.385 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208598114 1223562703 /nfs/dbraw/zinc/56/27/03/1223562703.db2.gz XOBDCPYKGWYXPD-SPYBWZPUSA-N 2 2 366.481 0.385 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208598114 1223562710 /nfs/dbraw/zinc/56/27/10/1223562710.db2.gz XOBDCPYKGWYXPD-SPYBWZPUSA-N 2 2 366.481 0.385 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366862 1223738120 /nfs/dbraw/zinc/73/81/20/1223738120.db2.gz MDWACLGVGDYBEI-ZHALLVOQSA-N 2 2 362.518 0.683 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366862 1223738122 /nfs/dbraw/zinc/73/81/22/1223738122.db2.gz MDWACLGVGDYBEI-ZHALLVOQSA-N 2 2 362.518 0.683 20 30 FCEDLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1C#N ZINC001213371382 1223791670 /nfs/dbraw/zinc/79/16/70/1223791670.db2.gz YAQIOFQWKNFGBC-SJLPKXTDSA-N 2 2 360.458 0.834 20 30 FCEDLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1C#N ZINC001213371382 1223791672 /nfs/dbraw/zinc/79/16/72/1223791672.db2.gz YAQIOFQWKNFGBC-SJLPKXTDSA-N 2 2 360.458 0.834 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857222 1223861681 /nfs/dbraw/zinc/86/16/81/1223861681.db2.gz IYZNQKXOVKIHIH-BRWVUGGUSA-N 2 2 366.506 0.178 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857222 1223861682 /nfs/dbraw/zinc/86/16/82/1223861682.db2.gz IYZNQKXOVKIHIH-BRWVUGGUSA-N 2 2 366.506 0.178 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857222 1223861685 /nfs/dbraw/zinc/86/16/85/1223861685.db2.gz IYZNQKXOVKIHIH-BRWVUGGUSA-N 2 2 366.506 0.178 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857222 1223861687 /nfs/dbraw/zinc/86/16/87/1223861687.db2.gz IYZNQKXOVKIHIH-BRWVUGGUSA-N 2 2 366.506 0.178 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672058 1223930564 /nfs/dbraw/zinc/93/05/64/1223930564.db2.gz FCBVATQNYWZKMX-HLLBOEOZSA-N 2 2 371.485 0.336 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216569419 1224055575 /nfs/dbraw/zinc/05/55/75/1224055575.db2.gz ISDNVIYQABWRCI-RHSMWYFYSA-N 2 2 359.474 0.898 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978513171 1248767012 /nfs/dbraw/zinc/76/70/12/1248767012.db2.gz VRAYCWSHVYPXCA-QQXKLLMISA-N 2 2 363.502 0.736 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978513171 1248767024 /nfs/dbraw/zinc/76/70/24/1248767024.db2.gz VRAYCWSHVYPXCA-QQXKLLMISA-N 2 2 363.502 0.736 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993573323 1249716348 /nfs/dbraw/zinc/71/63/48/1249716348.db2.gz SZJXZZXMJZENTN-IAGOWNOFSA-N 2 2 357.458 0.196 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)CC)C2)CC1 ZINC000993611541 1249810745 /nfs/dbraw/zinc/81/07/45/1249810745.db2.gz KFYNQPYYQRXHIV-IAGOWNOFSA-N 2 2 371.485 0.586 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000849055490 1245390961 /nfs/dbraw/zinc/39/09/61/1245390961.db2.gz DCZFHHQWYZATLA-UHFFFAOYSA-N 2 2 356.474 0.929 20 30 FCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891607946 1245458760 /nfs/dbraw/zinc/45/87/60/1245458760.db2.gz RKYJBPYLISYPON-QGZVFWFLSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891607946 1245458767 /nfs/dbraw/zinc/45/87/67/1245458767.db2.gz RKYJBPYLISYPON-QGZVFWFLSA-N 2 2 372.469 0.779 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC000997769882 1251696972 /nfs/dbraw/zinc/69/69/72/1251696972.db2.gz QJXXLCWPHZQJHU-OWSLCNJRSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC000997769882 1251696981 /nfs/dbraw/zinc/69/69/81/1251696981.db2.gz QJXXLCWPHZQJHU-OWSLCNJRSA-N 2 2 372.513 0.816 20 30 FCEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324116 1253988804 /nfs/dbraw/zinc/98/88/04/1253988804.db2.gz SPFRGESQQNIFPT-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324116 1253988813 /nfs/dbraw/zinc/98/88/13/1253988813.db2.gz SPFRGESQQNIFPT-OTWHNJEPSA-N 2 2 363.502 0.860 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329631657 1265794494 /nfs/dbraw/zinc/79/44/94/1265794494.db2.gz MEIYKLHBTKGZPF-INIZCTEOSA-N 2 2 363.506 0.623 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329631657 1265794505 /nfs/dbraw/zinc/79/45/05/1265794505.db2.gz MEIYKLHBTKGZPF-INIZCTEOSA-N 2 2 363.506 0.623 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005963 1255161570 /nfs/dbraw/zinc/16/15/70/1255161570.db2.gz OFERIKIKNGOXHO-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005963 1255161574 /nfs/dbraw/zinc/16/15/74/1255161574.db2.gz OFERIKIKNGOXHO-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005963 1255161577 /nfs/dbraw/zinc/16/15/77/1255161577.db2.gz OFERIKIKNGOXHO-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078005963 1255161581 /nfs/dbraw/zinc/16/15/81/1255161581.db2.gz OFERIKIKNGOXHO-BMGDILEWSA-N 2 2 360.433 0.700 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078018072 1255173490 /nfs/dbraw/zinc/17/34/90/1255173490.db2.gz MBACWAXUYKQHEF-IEBWSBKVSA-N 2 2 365.437 0.994 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078018072 1255173492 /nfs/dbraw/zinc/17/34/92/1255173492.db2.gz MBACWAXUYKQHEF-IEBWSBKVSA-N 2 2 365.437 0.994 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001078227317 1255339876 /nfs/dbraw/zinc/33/98/76/1255339876.db2.gz URZUFAVRWNMPTL-ZTFGCOKTSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001078227317 1255339886 /nfs/dbraw/zinc/33/98/86/1255339886.db2.gz URZUFAVRWNMPTL-ZTFGCOKTSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231345 1255479456 /nfs/dbraw/zinc/47/94/56/1255479456.db2.gz GIQGFBCAEDWIPH-RCCFBDPRSA-N 2 2 361.486 0.280 20 30 FCEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231345 1255479459 /nfs/dbraw/zinc/47/94/59/1255479459.db2.gz GIQGFBCAEDWIPH-RCCFBDPRSA-N 2 2 361.486 0.280 20 30 FCEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231251 1255479996 /nfs/dbraw/zinc/47/99/96/1255479996.db2.gz AFKWOJYLGHMZOJ-RCCFBDPRSA-N 2 2 361.486 0.280 20 30 FCEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231251 1255479998 /nfs/dbraw/zinc/47/99/98/1255479998.db2.gz AFKWOJYLGHMZOJ-RCCFBDPRSA-N 2 2 361.486 0.280 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369142 1256718754 /nfs/dbraw/zinc/71/87/54/1256718754.db2.gz ZZZYYEQKRCFPHK-ZTFGCOKTSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369142 1256718760 /nfs/dbraw/zinc/71/87/60/1256718760.db2.gz ZZZYYEQKRCFPHK-ZTFGCOKTSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369142 1256718764 /nfs/dbraw/zinc/71/87/64/1256718764.db2.gz ZZZYYEQKRCFPHK-ZTFGCOKTSA-N 2 2 360.433 0.964 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369142 1256718769 /nfs/dbraw/zinc/71/87/69/1256718769.db2.gz ZZZYYEQKRCFPHK-ZTFGCOKTSA-N 2 2 360.433 0.964 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2OC)CC1 ZINC001082384346 1256734884 /nfs/dbraw/zinc/73/48/84/1256734884.db2.gz QSFALXXNESOWQM-RTBURBONSA-N 2 2 356.470 0.742 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2OC)CC1 ZINC001082384346 1256734888 /nfs/dbraw/zinc/73/48/88/1256734888.db2.gz QSFALXXNESOWQM-RTBURBONSA-N 2 2 356.470 0.742 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC001127547975 1259179101 /nfs/dbraw/zinc/17/91/01/1259179101.db2.gz VUPWHSFMCQNWOT-BRWVUGGUSA-N 2 2 371.485 0.647 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548172 1259179187 /nfs/dbraw/zinc/17/91/87/1259179187.db2.gz XWWQBRYZMFYIPK-OWCLPIDISA-N 2 2 359.474 0.550 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276898 1259364392 /nfs/dbraw/zinc/36/43/92/1259364392.db2.gz YOQMQGWRJOQHEF-MOPGFXCFSA-N 2 2 366.469 0.427 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276898 1259364400 /nfs/dbraw/zinc/36/44/00/1259364400.db2.gz YOQMQGWRJOQHEF-MOPGFXCFSA-N 2 2 366.469 0.427 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276898 1259364411 /nfs/dbraw/zinc/36/44/11/1259364411.db2.gz YOQMQGWRJOQHEF-MOPGFXCFSA-N 2 2 366.469 0.427 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276898 1259364418 /nfs/dbraw/zinc/36/44/18/1259364418.db2.gz YOQMQGWRJOQHEF-MOPGFXCFSA-N 2 2 366.469 0.427 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680295 1259427653 /nfs/dbraw/zinc/42/76/53/1259427653.db2.gz OXNPGJREBFDEFQ-DLBZAZTESA-N 2 2 366.425 0.176 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406394 1259492644 /nfs/dbraw/zinc/49/26/44/1259492644.db2.gz QVVHNSHEGDGCOY-GUDVDZBRSA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406394 1259492646 /nfs/dbraw/zinc/49/26/46/1259492646.db2.gz QVVHNSHEGDGCOY-GUDVDZBRSA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406394 1259492649 /nfs/dbraw/zinc/49/26/49/1259492649.db2.gz QVVHNSHEGDGCOY-GUDVDZBRSA-N 2 2 363.502 0.859 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406394 1259492652 /nfs/dbraw/zinc/49/26/52/1259492652.db2.gz QVVHNSHEGDGCOY-GUDVDZBRSA-N 2 2 363.502 0.859 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212461410 1259516406 /nfs/dbraw/zinc/51/64/06/1259516406.db2.gz YMIAYYVXNCHTNM-BRWVUGGUSA-N 2 2 368.522 0.567 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212461410 1259516410 /nfs/dbraw/zinc/51/64/10/1259516410.db2.gz YMIAYYVXNCHTNM-BRWVUGGUSA-N 2 2 368.522 0.567 20 30 FCEDLP C=CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001252463672 1259790242 /nfs/dbraw/zinc/79/02/42/1259790242.db2.gz QTKIMYUFHPFKIP-KRWDZBQOSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001252463672 1259790247 /nfs/dbraw/zinc/79/02/47/1259790247.db2.gz QTKIMYUFHPFKIP-KRWDZBQOSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252463672 1259790251 /nfs/dbraw/zinc/79/02/51/1259790251.db2.gz QTKIMYUFHPFKIP-KRWDZBQOSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252463672 1259790255 /nfs/dbraw/zinc/79/02/55/1259790255.db2.gz QTKIMYUFHPFKIP-KRWDZBQOSA-N 2 2 364.490 0.853 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001320271512 1263780318 /nfs/dbraw/zinc/78/03/18/1263780318.db2.gz CZOQZFWYKNSUBX-GVDBMIGSSA-N 2 2 353.426 0.662 20 30 FCEDLP C#CC[NH+]1CCC(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC)CC1 ZINC001340184845 1268463709 /nfs/dbraw/zinc/46/37/09/1268463709.db2.gz OKVMHNSCBVOCCS-UHFFFAOYSA-N 2 2 360.506 0.879 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[NH2+]CC[C@@H]2C)CC1 ZINC001574707738 1271498057 /nfs/dbraw/zinc/49/80/57/1271498057.db2.gz YHMKQRGLOGTHAX-RDJZCZTQSA-N 2 2 368.489 0.432 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC001574707757 1271498258 /nfs/dbraw/zinc/49/82/58/1271498258.db2.gz YWBBOKDCWRONHK-GOSISDBHSA-N 2 2 356.470 0.750 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC001574707757 1271498264 /nfs/dbraw/zinc/49/82/64/1271498264.db2.gz YWBBOKDCWRONHK-GOSISDBHSA-N 2 2 356.470 0.750 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351084 1282446064 /nfs/dbraw/zinc/44/60/64/1282446064.db2.gz DRBWHNTYKLBPLQ-BBRMVZONSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351084 1282446068 /nfs/dbraw/zinc/44/60/68/1282446068.db2.gz DRBWHNTYKLBPLQ-BBRMVZONSA-N 2 2 368.445 0.006 20 30 FCEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602721548 1287077381 /nfs/dbraw/zinc/07/73/81/1287077381.db2.gz NKOPMBPILZDMBG-UHFFFAOYSA-N 2 2 353.430 0.883 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001689032104 1294577386 /nfs/dbraw/zinc/57/73/86/1294577386.db2.gz NBRQNOKCEAVIRQ-ZYSHUDEJSA-N 2 2 366.469 0.787 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@@H+]1CC(=O)NCC#N ZINC001689178451 1294646074 /nfs/dbraw/zinc/64/60/74/1294646074.db2.gz FUCKMBVHMHSISA-DLBZAZTESA-N 2 2 368.441 0.865 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1CC(=O)NCC#N ZINC001689178451 1294646084 /nfs/dbraw/zinc/64/60/84/1294646084.db2.gz FUCKMBVHMHSISA-DLBZAZTESA-N 2 2 368.441 0.865 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001689236688 1294699333 /nfs/dbraw/zinc/69/93/33/1294699333.db2.gz PGRIJKDYHVSWQV-OAGGEKHMSA-N 2 2 357.458 0.179 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001689236688 1294699344 /nfs/dbraw/zinc/69/93/44/1294699344.db2.gz PGRIJKDYHVSWQV-OAGGEKHMSA-N 2 2 357.458 0.179 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001689296392 1294721843 /nfs/dbraw/zinc/72/18/43/1294721843.db2.gz IFSUZTYDFHBWIW-HYVNUMGLSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001689296392 1294721845 /nfs/dbraw/zinc/72/18/45/1294721845.db2.gz IFSUZTYDFHBWIW-HYVNUMGLSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001689296392 1294721847 /nfs/dbraw/zinc/72/18/47/1294721847.db2.gz IFSUZTYDFHBWIW-HYVNUMGLSA-N 2 2 361.490 0.612 20 30 FCEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001689296392 1294721852 /nfs/dbraw/zinc/72/18/52/1294721852.db2.gz IFSUZTYDFHBWIW-HYVNUMGLSA-N 2 2 361.490 0.612 20 30 FCEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001690127983 1294861289 /nfs/dbraw/zinc/86/12/89/1294861289.db2.gz IALAEHLUAYFYNS-BFYDXBDKSA-N 2 2 371.485 0.797 20 30 FCEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053024 841666948 /nfs/dbraw/zinc/66/69/48/841666948.db2.gz QFYJQCFRYGMOMP-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053024 841666952 /nfs/dbraw/zinc/66/69/52/841666952.db2.gz QFYJQCFRYGMOMP-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053024 841666958 /nfs/dbraw/zinc/66/69/58/841666958.db2.gz QFYJQCFRYGMOMP-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084053024 841666963 /nfs/dbraw/zinc/66/69/63/841666963.db2.gz QFYJQCFRYGMOMP-JQHSSLGASA-N 2 2 361.873 0.805 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001193849145 852497360 /nfs/dbraw/zinc/49/73/60/852497360.db2.gz IZDVWSRACRTMTJ-QLFBSQMISA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001193849145 852497363 /nfs/dbraw/zinc/49/73/63/852497363.db2.gz IZDVWSRACRTMTJ-QLFBSQMISA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1O ZINC001193849145 852497366 /nfs/dbraw/zinc/49/73/66/852497366.db2.gz IZDVWSRACRTMTJ-QLFBSQMISA-N 2 2 361.408 0.978 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1O ZINC001193849145 852497370 /nfs/dbraw/zinc/49/73/70/852497370.db2.gz IZDVWSRACRTMTJ-QLFBSQMISA-N 2 2 361.408 0.978 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931657 854832353 /nfs/dbraw/zinc/83/23/53/854832353.db2.gz NLIJIJIZZQUZCL-KURKYZTESA-N 2 2 351.491 0.572 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931657 854832356 /nfs/dbraw/zinc/83/23/56/854832356.db2.gz NLIJIJIZZQUZCL-KURKYZTESA-N 2 2 351.491 0.572 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665207 855759524 /nfs/dbraw/zinc/75/95/24/855759524.db2.gz AKEHBTZXHOTNPZ-OAGGEKHMSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665207 855759527 /nfs/dbraw/zinc/75/95/27/855759527.db2.gz AKEHBTZXHOTNPZ-OAGGEKHMSA-N 2 2 350.463 0.761 20 30 FCEDLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220740685 856274048 /nfs/dbraw/zinc/27/40/48/856274048.db2.gz NVHLAMPJFBRZGX-MSOLQXFVSA-N 2 2 353.507 0.700 20 30 FCEDLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220740685 856274056 /nfs/dbraw/zinc/27/40/56/856274056.db2.gz NVHLAMPJFBRZGX-MSOLQXFVSA-N 2 2 353.507 0.700 20 30 FCEDLP C=CCN1CCN(C)C2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001253391291 857884614 /nfs/dbraw/zinc/88/46/14/857884614.db2.gz YGWUCXNULMUXOZ-MRXNPFEDSA-N 2 2 352.523 0.530 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)o1 ZINC000114477576 208313175 /nfs/dbraw/zinc/31/31/75/208313175.db2.gz JRFLZMQXQNALLV-HNNXBMFYSA-N 2 2 360.462 0.387 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)o1 ZINC000114477576 208313182 /nfs/dbraw/zinc/31/31/82/208313182.db2.gz JRFLZMQXQNALLV-HNNXBMFYSA-N 2 2 360.462 0.387 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000329058132 488964927 /nfs/dbraw/zinc/96/49/27/488964927.db2.gz MRHQTHKWYIFSNQ-RCCFBDPRSA-N 2 2 368.522 0.788 20 30 FCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2ncccn2)CC1 ZINC000073447541 488384550 /nfs/dbraw/zinc/38/45/50/488384550.db2.gz IQYNTXFHKIVZBH-UHFFFAOYSA-N 2 2 354.462 0.907 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000076984305 488408168 /nfs/dbraw/zinc/40/81/68/488408168.db2.gz GFXRSDMCZUUAJY-OAHLLOKOSA-N 2 2 363.506 0.631 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153942944 488737099 /nfs/dbraw/zinc/73/70/99/488737099.db2.gz YCTGJOWHSJAVBW-ZACQAIPSSA-N 2 2 365.522 0.877 20 30 FCEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000275248038 488776798 /nfs/dbraw/zinc/77/67/98/488776798.db2.gz OLRPXLZXSSULIW-UHFFFAOYSA-N 2 2 359.449 0.983 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000329388471 489000158 /nfs/dbraw/zinc/00/01/58/489000158.db2.gz UCEGIKLAOYFFGM-INIZCTEOSA-N 2 2 362.478 0.168 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000329388471 489000159 /nfs/dbraw/zinc/00/01/59/489000159.db2.gz UCEGIKLAOYFFGM-INIZCTEOSA-N 2 2 362.478 0.168 20 30 FCEDLP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000329832581 489040771 /nfs/dbraw/zinc/04/07/71/489040771.db2.gz KKSCFSWJMZFEIZ-QGZVFWFLSA-N 2 2 367.538 0.581 20 30 FCEDLP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000329832581 489040774 /nfs/dbraw/zinc/04/07/74/489040774.db2.gz KKSCFSWJMZFEIZ-QGZVFWFLSA-N 2 2 367.538 0.581 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902424 489047726 /nfs/dbraw/zinc/04/77/26/489047726.db2.gz HQHNGZIYENSNHE-AWEZNQCLSA-N 2 2 362.478 0.502 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902424 489047729 /nfs/dbraw/zinc/04/77/29/489047729.db2.gz HQHNGZIYENSNHE-AWEZNQCLSA-N 2 2 362.478 0.502 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902424 489047731 /nfs/dbraw/zinc/04/77/31/489047731.db2.gz HQHNGZIYENSNHE-AWEZNQCLSA-N 2 2 362.478 0.502 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000329987479 489058096 /nfs/dbraw/zinc/05/80/96/489058096.db2.gz SRJGSVRNEHZTKT-HZPDHXFCSA-N 2 2 352.479 0.560 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000329987479 489058098 /nfs/dbraw/zinc/05/80/98/489058098.db2.gz SRJGSVRNEHZTKT-HZPDHXFCSA-N 2 2 352.479 0.560 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329989688 489058766 /nfs/dbraw/zinc/05/87/66/489058766.db2.gz IGLMBGILZCOYFZ-QGZVFWFLSA-N 2 2 362.478 0.931 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329989688 489058769 /nfs/dbraw/zinc/05/87/69/489058769.db2.gz IGLMBGILZCOYFZ-QGZVFWFLSA-N 2 2 362.478 0.931 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330173748 489076312 /nfs/dbraw/zinc/07/63/12/489076312.db2.gz HPPGTXUEPGOSLH-DJIMGWMZSA-N 2 2 354.495 0.589 20 30 FCEDLP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000330267880 489086007 /nfs/dbraw/zinc/08/60/07/489086007.db2.gz QTXWNQZIKCHSOQ-BRWVUGGUSA-N 2 2 354.495 0.664 20 30 FCEDLP CCC(=O)N[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330485750 489107912 /nfs/dbraw/zinc/10/79/12/489107912.db2.gz CBCRDVKOKGIJEQ-HNNXBMFYSA-N 2 2 353.511 0.917 20 30 FCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330764150 489141156 /nfs/dbraw/zinc/14/11/56/489141156.db2.gz PKFZDWMZNWUJON-SJLPKXTDSA-N 2 2 366.506 0.588 20 30 FCEDLP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000563490461 491250962 /nfs/dbraw/zinc/25/09/62/491250962.db2.gz LXJJGVSOFZURHB-ZDUSSCGKSA-N 2 2 373.848 1.504 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000563490461 491250963 /nfs/dbraw/zinc/25/09/63/491250963.db2.gz LXJJGVSOFZURHB-ZDUSSCGKSA-N 2 2 373.848 1.504 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CCCOCC3)=[NH+]C[C@H]2C1 ZINC000372599919 489606256 /nfs/dbraw/zinc/60/62/56/489606256.db2.gz MVRUKVXEIJKTTE-HNNXBMFYSA-N 2 2 367.494 0.589 20 30 FCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CCCOCC3)=[NH+]C[C@H]2C1 ZINC000372599919 489606257 /nfs/dbraw/zinc/60/62/57/489606257.db2.gz MVRUKVXEIJKTTE-HNNXBMFYSA-N 2 2 367.494 0.589 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851892 490538211 /nfs/dbraw/zinc/53/82/11/490538211.db2.gz VIFBYSJKOXHOCY-SJORKVTESA-N 2 2 373.505 0.945 20 30 FCEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851892 490538216 /nfs/dbraw/zinc/53/82/16/490538216.db2.gz VIFBYSJKOXHOCY-SJORKVTESA-N 2 2 373.505 0.945 20 30 FCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528394064 490794252 /nfs/dbraw/zinc/79/42/52/490794252.db2.gz WOLMVGIRZFQSTH-KRWDZBQOSA-N 2 2 367.449 0.940 20 30 FCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528394064 490794255 /nfs/dbraw/zinc/79/42/55/490794255.db2.gz WOLMVGIRZFQSTH-KRWDZBQOSA-N 2 2 367.449 0.940 20 30 FCEDLP N#C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515033771 490804341 /nfs/dbraw/zinc/80/43/41/490804341.db2.gz IESYQMWNSFCVBC-CVEARBPZSA-N 2 2 363.487 0.815 20 30 FCEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000515548579 490831649 /nfs/dbraw/zinc/83/16/49/490831649.db2.gz IJSJOSOBGHZEOU-SFHVURJKSA-N 2 2 361.486 0.861 20 30 FCEDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000517732473 490918348 /nfs/dbraw/zinc/91/83/48/490918348.db2.gz IUTGNWXQJNQVLH-HNNXBMFYSA-N 2 2 350.488 0.557 20 30 FCEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CC)CC#N)CC1 ZINC000568289785 491567289 /nfs/dbraw/zinc/56/72/89/491567289.db2.gz PNWZKEQTHSFCPU-HOTGVXAUSA-N 2 2 362.478 0.221 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000580223384 491722236 /nfs/dbraw/zinc/72/22/36/491722236.db2.gz JFGXIJRCCRHSFP-UHFFFAOYSA-N 2 2 371.485 0.659 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000580223384 491722237 /nfs/dbraw/zinc/72/22/37/491722237.db2.gz JFGXIJRCCRHSFP-UHFFFAOYSA-N 2 2 371.485 0.659 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586812310 491733288 /nfs/dbraw/zinc/73/32/88/491733288.db2.gz IHUZEBZXHFQQEN-MRXNPFEDSA-N 2 2 368.547 0.649 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586812310 491733290 /nfs/dbraw/zinc/73/32/90/491733290.db2.gz IHUZEBZXHFQQEN-MRXNPFEDSA-N 2 2 368.547 0.649 20 30 FCEDLP CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861996 492002182 /nfs/dbraw/zinc/00/21/82/492002182.db2.gz XCPWHVINDVFLFM-SFHVURJKSA-N 2 2 362.522 0.784 20 30 FCEDLP CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861996 492002183 /nfs/dbraw/zinc/00/21/83/492002183.db2.gz XCPWHVINDVFLFM-SFHVURJKSA-N 2 2 362.522 0.784 20 30 FCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000598592555 492106100 /nfs/dbraw/zinc/10/61/00/492106100.db2.gz MDHVMPLUCUVHHS-MRXNPFEDSA-N 2 2 374.489 0.736 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000632254010 492957861 /nfs/dbraw/zinc/95/78/61/492957861.db2.gz HOQICOZHRUGLLL-SJORKVTESA-N 2 2 359.536 0.935 20 30 FCEDLP C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000632254010 492957863 /nfs/dbraw/zinc/95/78/63/492957863.db2.gz HOQICOZHRUGLLL-SJORKVTESA-N 2 2 359.536 0.935 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264982533 526358455 /nfs/dbraw/zinc/35/84/55/526358455.db2.gz LYLWAODRYVGXLB-KRWDZBQOSA-N 2 2 351.470 0.926 20 30 FCEDLP C=CCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262621171 526388866 /nfs/dbraw/zinc/38/88/66/526388866.db2.gz CQCABCZIICREPW-UHFFFAOYSA-N 2 2 351.476 0.213 20 30 FCEDLP C[NH+]=C(NCc1nc(C)cs1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261962893 526389943 /nfs/dbraw/zinc/38/99/43/526389943.db2.gz KQXRTNJFMYBTBA-UHFFFAOYSA-N 2 2 352.508 0.623 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188322717 526599018 /nfs/dbraw/zinc/59/90/18/526599018.db2.gz IZPUNGDNPNROFN-OXQOHEQNSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188322717 526599022 /nfs/dbraw/zinc/59/90/22/526599022.db2.gz IZPUNGDNPNROFN-OXQOHEQNSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188322717 526599028 /nfs/dbraw/zinc/59/90/28/526599028.db2.gz IZPUNGDNPNROFN-OXQOHEQNSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188322717 526599032 /nfs/dbraw/zinc/59/90/32/526599032.db2.gz IZPUNGDNPNROFN-OXQOHEQNSA-N 2 2 374.485 0.956 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266902696 527020814 /nfs/dbraw/zinc/02/08/14/527020814.db2.gz GZPNWISCRJRAKU-QGZVFWFLSA-N 2 2 358.486 0.887 20 30 FCEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178906520 527129828 /nfs/dbraw/zinc/12/98/28/527129828.db2.gz YRCPKBWMQZEFNQ-GOSISDBHSA-N 2 2 357.454 0.721 20 30 FCEDLP CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262363090 527590579 /nfs/dbraw/zinc/59/05/79/527590579.db2.gz HCVYTROVBSNXSW-DLBZAZTESA-N 2 2 368.547 0.969 20 30 FCEDLP CC(C)C[NH+]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1 ZINC000262262367 527987077 /nfs/dbraw/zinc/98/70/77/527987077.db2.gz SLSIYIFOLHKNON-HNNXBMFYSA-N 2 2 356.536 0.803 20 30 FCEDLP CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000264062004 528974741 /nfs/dbraw/zinc/97/47/41/528974741.db2.gz CWDJXOLOZGQLBZ-INIZCTEOSA-N 2 2 361.494 0.270 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000923775428 663933360 /nfs/dbraw/zinc/93/33/60/663933360.db2.gz OREONECVALNAJI-ZWKOTPCHSA-N 2 2 350.507 0.961 20 30 FCEDLP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000923775428 663933362 /nfs/dbraw/zinc/93/33/62/663933362.db2.gz OREONECVALNAJI-ZWKOTPCHSA-N 2 2 350.507 0.961 20 30 FCEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709411 664944100 /nfs/dbraw/zinc/94/41/00/664944100.db2.gz LMRNXFKFLINREI-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709411 664944102 /nfs/dbraw/zinc/94/41/02/664944102.db2.gz LMRNXFKFLINREI-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288785 667727400 /nfs/dbraw/zinc/72/74/00/667727400.db2.gz DCPOKGVSVVFANB-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288785 667727403 /nfs/dbraw/zinc/72/74/03/667727403.db2.gz DCPOKGVSVVFANB-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211672 669399314 /nfs/dbraw/zinc/39/93/14/669399314.db2.gz LSMGLYOZCJLUMM-LBPRGKRZSA-N 2 2 373.295 0.296 20 30 FCEDLP C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211672 669399318 /nfs/dbraw/zinc/39/93/18/669399318.db2.gz LSMGLYOZCJLUMM-LBPRGKRZSA-N 2 2 373.295 0.296 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089548 673425458 /nfs/dbraw/zinc/42/54/58/673425458.db2.gz SFJTUSXWZOLTRZ-WMZOPIPTSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000884089548 673425461 /nfs/dbraw/zinc/42/54/61/673425461.db2.gz SFJTUSXWZOLTRZ-WMZOPIPTSA-N 2 2 366.531 0.591 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C)CC1 ZINC000988506275 1192237510 /nfs/dbraw/zinc/23/75/10/1192237510.db2.gz KIAPAFPBWSKDLD-QAPCUYQASA-N 2 2 371.485 0.413 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104314195 1169898576 /nfs/dbraw/zinc/89/85/76/1169898576.db2.gz JHNIQCPIKNFIQY-KBUPBQIOSA-N 2 2 358.446 0.227 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104314195 1169898577 /nfs/dbraw/zinc/89/85/77/1169898577.db2.gz JHNIQCPIKNFIQY-KBUPBQIOSA-N 2 2 358.446 0.227 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000988733446 1192415970 /nfs/dbraw/zinc/41/59/70/1192415970.db2.gz DCDOXFZWVNRBMK-PVAVHDDUSA-N 2 2 357.458 0.395 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000988733446 1192415975 /nfs/dbraw/zinc/41/59/75/1192415975.db2.gz DCDOXFZWVNRBMK-PVAVHDDUSA-N 2 2 357.458 0.395 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC1 ZINC001022522381 1171360693 /nfs/dbraw/zinc/36/06/93/1171360693.db2.gz CJMIKZRKTLPQDT-DLBZAZTESA-N 2 2 369.469 0.357 20 30 FCEDLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104414455 1171843175 /nfs/dbraw/zinc/84/31/75/1171843175.db2.gz XORXQRNEJGJOFC-HUUCEWRRSA-N 2 2 368.441 0.662 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)CC1 ZINC000989194135 1192738448 /nfs/dbraw/zinc/73/84/48/1192738448.db2.gz RVFZYIACYHEAHL-WBVHZDCISA-N 2 2 371.485 0.711 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565182 1178864487 /nfs/dbraw/zinc/86/44/87/1178864487.db2.gz PYCHPLJDIBPRRV-ZCNNSNEGSA-N 2 2 371.481 0.551 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565182 1178864489 /nfs/dbraw/zinc/86/44/89/1178864489.db2.gz PYCHPLJDIBPRRV-ZCNNSNEGSA-N 2 2 371.481 0.551 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H]2CC)CC1 ZINC001087840148 1189848036 /nfs/dbraw/zinc/84/80/36/1189848036.db2.gz JYUCIPNXUVDVIU-ZWKOTPCHSA-N 2 2 358.490 0.629 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H]2CC)CC1 ZINC001087840148 1189848037 /nfs/dbraw/zinc/84/80/37/1189848037.db2.gz JYUCIPNXUVDVIU-ZWKOTPCHSA-N 2 2 358.490 0.629 20 30 FCEDLP C#CCN1C[C@H](C(=O)OCC)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756823 1224110282 /nfs/dbraw/zinc/11/02/82/1224110282.db2.gz FORQFWSHEBLXGC-QGZVFWFLSA-N 2 2 361.486 0.818 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986310368 1190950762 /nfs/dbraw/zinc/95/07/62/1190950762.db2.gz YIASKAOGAHAHDZ-SQNIBIBYSA-N 2 2 369.469 0.288 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986310368 1190950769 /nfs/dbraw/zinc/95/07/69/1190950769.db2.gz YIASKAOGAHAHDZ-SQNIBIBYSA-N 2 2 369.469 0.288 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001218213579 1224147261 /nfs/dbraw/zinc/14/72/61/1224147261.db2.gz HIHMJHUKYNPURW-RBUKOAKNSA-N 2 2 368.437 0.818 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001218213579 1224147263 /nfs/dbraw/zinc/14/72/63/1224147263.db2.gz HIHMJHUKYNPURW-RBUKOAKNSA-N 2 2 368.437 0.818 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218327253 1224154126 /nfs/dbraw/zinc/15/41/26/1224154126.db2.gz PHJXVFPGJYPVSJ-QCEMKRCNSA-N 2 2 373.409 0.150 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083537376 1194230875 /nfs/dbraw/zinc/23/08/75/1194230875.db2.gz RYBOFAYAMQPXEA-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083537376 1194230878 /nfs/dbraw/zinc/23/08/78/1194230878.db2.gz RYBOFAYAMQPXEA-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083537376 1194230880 /nfs/dbraw/zinc/23/08/80/1194230880.db2.gz RYBOFAYAMQPXEA-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083537376 1194230883 /nfs/dbraw/zinc/23/08/83/1194230883.db2.gz RYBOFAYAMQPXEA-AABGKKOBSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076604699 1194593609 /nfs/dbraw/zinc/59/36/09/1194593609.db2.gz RVPXFIMMHWWCPC-ZWKOTPCHSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076604699 1194593611 /nfs/dbraw/zinc/59/36/11/1194593611.db2.gz RVPXFIMMHWWCPC-ZWKOTPCHSA-N 2 2 353.470 0.855 20 30 FCEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991972240 1196889715 /nfs/dbraw/zinc/88/97/15/1196889715.db2.gz FWNSUPSMDFRBTI-RMJJICAUSA-N 2 2 361.486 0.613 20 30 FCEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991972240 1196889718 /nfs/dbraw/zinc/88/97/18/1196889718.db2.gz FWNSUPSMDFRBTI-RMJJICAUSA-N 2 2 361.486 0.613 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNc3ncccc3C#N)C2)CC1 ZINC000734271725 1197743844 /nfs/dbraw/zinc/74/38/44/1197743844.db2.gz LUEAYTBDSRVPOS-INIZCTEOSA-N 2 2 371.489 0.833 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNc3ncccc3C#N)C2)CC1 ZINC000734271725 1197743849 /nfs/dbraw/zinc/74/38/49/1197743849.db2.gz LUEAYTBDSRVPOS-INIZCTEOSA-N 2 2 371.489 0.833 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106460913 1197939901 /nfs/dbraw/zinc/93/99/01/1197939901.db2.gz BJIFRDHKMZZUFE-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802650 1224623031 /nfs/dbraw/zinc/62/30/31/1224623031.db2.gz YOWNDZYIHYUSNW-CVEARBPZSA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802650 1224623034 /nfs/dbraw/zinc/62/30/34/1224623034.db2.gz YOWNDZYIHYUSNW-CVEARBPZSA-N 2 2 366.506 0.057 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130193393 1201531576 /nfs/dbraw/zinc/53/15/76/1201531576.db2.gz VKUAWRHVYADTKC-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130193393 1201531582 /nfs/dbraw/zinc/53/15/82/1201531582.db2.gz VKUAWRHVYADTKC-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193393 1201531586 /nfs/dbraw/zinc/53/15/86/1201531586.db2.gz VKUAWRHVYADTKC-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130193393 1201531589 /nfs/dbraw/zinc/53/15/89/1201531589.db2.gz VKUAWRHVYADTKC-ZNMIVQPWSA-N 2 2 360.462 0.001 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237764 1201560913 /nfs/dbraw/zinc/56/09/13/1201560913.db2.gz DGVGQZPTBULSSW-KKUMJFAQSA-N 2 2 362.478 0.247 20 30 FCEDLP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130242323 1201563005 /nfs/dbraw/zinc/56/30/05/1201563005.db2.gz RAQOBWZJOULOSW-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130249088 1201568400 /nfs/dbraw/zinc/56/84/00/1201568400.db2.gz JDPNFKQERWNKTP-GJZGRUSLSA-N 2 2 362.478 0.555 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130249088 1201568405 /nfs/dbraw/zinc/56/84/05/1201568405.db2.gz JDPNFKQERWNKTP-GJZGRUSLSA-N 2 2 362.478 0.555 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130789977 1202798155 /nfs/dbraw/zinc/79/81/55/1202798155.db2.gz BBSWMDWJBAUOMR-RRFJBIMHSA-N 2 2 362.478 0.594 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3C)n2)O1 ZINC001130817564 1202808686 /nfs/dbraw/zinc/80/86/86/1202808686.db2.gz SSEZURGTQDTYDW-LSDHHAIUSA-N 2 2 371.445 0.459 20 30 FCEDLP CN(CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)c1cc[nH+]cc1 ZINC001131022593 1202846964 /nfs/dbraw/zinc/84/69/64/1202846964.db2.gz BKJXZZVAVZXWQK-IAGOWNOFSA-N 2 2 367.457 0.749 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131612974 1202921250 /nfs/dbraw/zinc/92/12/50/1202921250.db2.gz TXSABBPSTXUXGB-MJGOQNOKSA-N 2 2 360.458 0.519 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086720646 1203019331 /nfs/dbraw/zinc/01/93/31/1203019331.db2.gz GZAKDTFAKJXOJZ-UXLLHSPISA-N 2 2 371.489 0.480 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086720646 1203019333 /nfs/dbraw/zinc/01/93/33/1203019333.db2.gz GZAKDTFAKJXOJZ-UXLLHSPISA-N 2 2 371.489 0.480 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220375838 1224849068 /nfs/dbraw/zinc/84/90/68/1224849068.db2.gz GXPYWVQBBXXUJS-IKGGRYGDSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220375838 1224849070 /nfs/dbraw/zinc/84/90/70/1224849070.db2.gz GXPYWVQBBXXUJS-IKGGRYGDSA-N 2 2 360.458 0.568 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093455218 1206088483 /nfs/dbraw/zinc/08/84/83/1206088483.db2.gz LMDFECMRUFQMIL-YKCBXCCJSA-N 2 2 358.486 0.952 20 30 FCEDLP C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749285 1206245406 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1206520978 /nfs/dbraw/zinc/52/09/78/1206520978.db2.gz LSFHOUWKQSIKCU-YESZJQIVSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326334 1206520981 /nfs/dbraw/zinc/52/09/81/1206520981.db2.gz LSFHOUWKQSIKCU-YESZJQIVSA-N 2 2 361.490 0.375 20 30 FCEDLP N#CC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643338 1224983113 /nfs/dbraw/zinc/98/31/13/1224983113.db2.gz BBVFLPNQBXZWRS-OKZBNKHCSA-N 3 2 353.470 0.611 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189266982 1207528474 /nfs/dbraw/zinc/52/84/74/1207528474.db2.gz CWHVLNSJAYMAKW-JKSUJKDBSA-N 2 2 357.458 0.289 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189266982 1207528478 /nfs/dbraw/zinc/52/84/78/1207528478.db2.gz CWHVLNSJAYMAKW-JKSUJKDBSA-N 2 2 357.458 0.289 20 30 FCEDLP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001189453128 1207557355 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WSIZCFFSQJMPTD-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1C#N ZINC001221093763 1225220279 /nfs/dbraw/zinc/22/02/79/1225220279.db2.gz WSIZCFFSQJMPTD-SJORKVTESA-N 2 2 360.458 0.568 20 30 FCEDLP C#CCN1CCN(C(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880571671 1210550795 /nfs/dbraw/zinc/55/07/95/1210550795.db2.gz SMKYIUAWHWWWCC-IBGZPJMESA-N 2 2 351.454 0.991 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847407 1210992786 /nfs/dbraw/zinc/99/27/86/1210992786.db2.gz PYTSKRJFPYAWTM-VXNCWWDNSA-N 2 2 358.486 0.332 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847407 1210992787 /nfs/dbraw/zinc/99/27/87/1210992787.db2.gz PYTSKRJFPYAWTM-VXNCWWDNSA-N 2 2 358.486 0.332 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150335 1211901116 /nfs/dbraw/zinc/90/11/16/1211901116.db2.gz 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2 357.458 0.785 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407981 1212993580 /nfs/dbraw/zinc/99/35/80/1212993580.db2.gz CPBIQQPORRWTEB-ZACQAIPSSA-N 2 2 361.490 0.566 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407981 1212993581 /nfs/dbraw/zinc/99/35/81/1212993581.db2.gz CPBIQQPORRWTEB-ZACQAIPSSA-N 2 2 361.490 0.566 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000955363775 1213149136 /nfs/dbraw/zinc/14/91/36/1213149136.db2.gz HVMGMAZROIAWSP-ZACQAIPSSA-N 2 2 369.469 0.290 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000955363775 1213149139 /nfs/dbraw/zinc/14/91/39/1213149139.db2.gz HVMGMAZROIAWSP-ZACQAIPSSA-N 2 2 369.469 0.290 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)CC1 ZINC000959837010 1213530689 /nfs/dbraw/zinc/53/06/89/1213530689.db2.gz BKMOCJNALRNRAL-RHSMWYFYSA-N 2 2 357.458 0.261 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221772210 1225476074 /nfs/dbraw/zinc/47/60/74/1225476074.db2.gz OTQRGJJCJIFODB-ZHALLVOQSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001221772210 1225476080 /nfs/dbraw/zinc/47/60/80/1225476080.db2.gz OTQRGJJCJIFODB-ZHALLVOQSA-N 2 2 356.470 0.936 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877843 1225518818 /nfs/dbraw/zinc/51/88/18/1225518818.db2.gz LVEBSBSTUQZGSP-ZHALLVOQSA-N 2 2 362.518 0.635 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877843 1225518819 /nfs/dbraw/zinc/51/88/19/1225518819.db2.gz LVEBSBSTUQZGSP-ZHALLVOQSA-N 2 2 362.518 0.635 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(CC)n3)C[C@H]2O)CC1 ZINC001041065157 1214684664 /nfs/dbraw/zinc/68/46/64/1214684664.db2.gz NEHNOBONNXWPPZ-IAGOWNOFSA-N 2 2 371.485 0.358 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223038916 1225674491 /nfs/dbraw/zinc/67/44/91/1225674491.db2.gz AKYNAAKTXVWYAY-QAPCUYQASA-N 2 2 360.458 0.922 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223038916 1225674496 /nfs/dbraw/zinc/67/44/96/1225674496.db2.gz AKYNAAKTXVWYAY-QAPCUYQASA-N 2 2 360.458 0.922 20 30 FCEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233753 1225766366 /nfs/dbraw/zinc/76/63/66/1225766366.db2.gz YCMMMIBYVZPGSM-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233753 1225766371 /nfs/dbraw/zinc/76/63/71/1225766371.db2.gz YCMMMIBYVZPGSM-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233753 1225766373 /nfs/dbraw/zinc/76/63/73/1225766373.db2.gz YCMMMIBYVZPGSM-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224233753 1225766377 /nfs/dbraw/zinc/76/63/77/1225766377.db2.gz YCMMMIBYVZPGSM-IKGGRYGDSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606760 1218499437 /nfs/dbraw/zinc/49/94/37/1218499437.db2.gz DGDJUPJDYFQWRY-MKXGPGLRSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049606760 1218499443 /nfs/dbraw/zinc/49/94/43/1218499443.db2.gz DGDJUPJDYFQWRY-MKXGPGLRSA-N 2 2 361.486 0.565 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CC1 ZINC001111454909 1218846185 /nfs/dbraw/zinc/84/61/85/1218846185.db2.gz CYWZFLGRSHWINN-KURKYZTESA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CC1 ZINC001111454909 1218846188 /nfs/dbraw/zinc/84/61/88/1218846188.db2.gz CYWZFLGRSHWINN-KURKYZTESA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC=C)CC1 ZINC001111455338 1218847478 /nfs/dbraw/zinc/84/74/78/1218847478.db2.gz ZDQORKQNBHLKIA-KURKYZTESA-N 2 2 358.486 0.355 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC=C)CC1 ZINC001111455338 1218847480 /nfs/dbraw/zinc/84/74/80/1218847480.db2.gz ZDQORKQNBHLKIA-KURKYZTESA-N 2 2 358.486 0.355 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073249 1225862769 /nfs/dbraw/zinc/86/27/69/1225862769.db2.gz JBKDJSOCSRUVEW-HUUCEWRRSA-N 2 2 354.414 0.833 20 30 FCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070220546 1219302747 /nfs/dbraw/zinc/30/27/47/1219302747.db2.gz KXJGDYQREAEHAB-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cncn1C ZINC001070662279 1219513895 /nfs/dbraw/zinc/51/38/95/1219513895.db2.gz OSYPBZQZQPYMMB-GDBMZVCRSA-N 2 2 358.446 0.854 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915352 1219569586 /nfs/dbraw/zinc/56/95/86/1219569586.db2.gz WEDKXTPJGXCQOQ-BBWFWOEESA-N 2 2 371.441 0.321 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915352 1219569589 /nfs/dbraw/zinc/56/95/89/1219569589.db2.gz WEDKXTPJGXCQOQ-BBWFWOEESA-N 2 2 371.441 0.321 20 30 FCEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685875 1219810583 /nfs/dbraw/zinc/81/05/83/1219810583.db2.gz SNKULLTYARMFMW-HYVNUMGLSA-N 2 2 362.478 0.436 20 30 FCEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001098734929 1219816925 /nfs/dbraw/zinc/81/69/25/1219816925.db2.gz ZQRIAXOBMKFJFV-GVDBMIGSSA-N 2 2 367.457 0.702 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC(=O)NCC#N)CC[N@@H+]1C ZINC001099079519 1219903642 /nfs/dbraw/zinc/90/36/42/1219903642.db2.gz GBSUKAPZIJGNNN-OWCLPIDISA-N 2 2 363.506 0.573 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC(=O)NCC#N)CC[N@H+]1C ZINC001099079519 1219903646 /nfs/dbraw/zinc/90/36/46/1219903646.db2.gz GBSUKAPZIJGNNN-OWCLPIDISA-N 2 2 363.506 0.573 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001099079519 1219903649 /nfs/dbraw/zinc/90/36/49/1219903649.db2.gz GBSUKAPZIJGNNN-OWCLPIDISA-N 2 2 363.506 0.573 20 30 FCEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001099079519 1219903652 /nfs/dbraw/zinc/90/36/52/1219903652.db2.gz GBSUKAPZIJGNNN-OWCLPIDISA-N 2 2 363.506 0.573 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285055 1220267113 /nfs/dbraw/zinc/26/71/13/1220267113.db2.gz MQBYYUFFDAEOBK-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285055 1220267115 /nfs/dbraw/zinc/26/71/15/1220267115.db2.gz MQBYYUFFDAEOBK-HLIPFELVSA-N 2 2 356.470 0.876 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308326 1220280296 /nfs/dbraw/zinc/28/02/96/1220280296.db2.gz GOZNECJCIYTGRP-QINHECLXSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308326 1220280301 /nfs/dbraw/zinc/28/03/01/1220280301.db2.gz GOZNECJCIYTGRP-QINHECLXSA-N 2 2 371.485 0.271 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432117 1220341452 /nfs/dbraw/zinc/34/14/52/1220341452.db2.gz BQZZEYIFVGTVBO-QRWLVFNGSA-N 2 2 369.469 0.291 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432117 1220341458 /nfs/dbraw/zinc/34/14/58/1220341458.db2.gz BQZZEYIFVGTVBO-QRWLVFNGSA-N 2 2 369.469 0.291 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444889 1220347617 /nfs/dbraw/zinc/34/76/17/1220347617.db2.gz PKQJKSNLNLKCCE-KHYOSLBOSA-N 2 2 357.458 0.179 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444889 1220347621 /nfs/dbraw/zinc/34/76/21/1220347621.db2.gz PKQJKSNLNLKCCE-KHYOSLBOSA-N 2 2 357.458 0.179 20 30 FCEDLP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](C(=O)N(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001277345119 1225967549 /nfs/dbraw/zinc/96/75/49/1225967549.db2.gz GMFMZGTUSVSGCD-HZPDHXFCSA-N 2 2 359.474 0.702 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001102515339 1220674332 /nfs/dbraw/zinc/67/43/32/1220674332.db2.gz OVAKCUNZMAYBQF-ZIAGYGMSSA-N 2 2 358.446 0.085 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001102515339 1220674335 /nfs/dbraw/zinc/67/43/35/1220674335.db2.gz OVAKCUNZMAYBQF-ZIAGYGMSSA-N 2 2 358.446 0.085 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162601 1220842217 /nfs/dbraw/zinc/84/22/17/1220842217.db2.gz COTDYCYAKJBYSB-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162601 1220842219 /nfs/dbraw/zinc/84/22/19/1220842219.db2.gz COTDYCYAKJBYSB-ZACQAIPSSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224027 1220853137 /nfs/dbraw/zinc/85/31/37/1220853137.db2.gz FFJPLKQUODPSTI-HZPDHXFCSA-N 2 2 367.453 0.772 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224027 1220853142 /nfs/dbraw/zinc/85/31/42/1220853142.db2.gz FFJPLKQUODPSTI-HZPDHXFCSA-N 2 2 367.453 0.772 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111790393 1221110963 /nfs/dbraw/zinc/11/09/63/1221110963.db2.gz XBJXBWKUOWUPCB-FTRWYGJKSA-N 2 2 369.469 0.166 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111790393 1221110966 /nfs/dbraw/zinc/11/09/66/1221110966.db2.gz XBJXBWKUOWUPCB-FTRWYGJKSA-N 2 2 369.469 0.166 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111795047 1221112499 /nfs/dbraw/zinc/11/24/99/1221112499.db2.gz WWKKDEOFIWCYTE-KXBFYZLASA-N 2 2 360.458 0.970 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111795047 1221112504 /nfs/dbraw/zinc/11/25/04/1221112504.db2.gz WWKKDEOFIWCYTE-KXBFYZLASA-N 2 2 360.458 0.970 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955351 1221183382 /nfs/dbraw/zinc/18/33/82/1221183382.db2.gz JTFSJKGTOZNQKA-VCBZYWHSSA-N 2 2 357.458 0.369 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955351 1221183383 /nfs/dbraw/zinc/18/33/83/1221183383.db2.gz JTFSJKGTOZNQKA-VCBZYWHSSA-N 2 2 357.458 0.369 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090261 1221208645 /nfs/dbraw/zinc/20/86/45/1221208645.db2.gz APJLWTXFDWRPGB-VXGBXAGGSA-N 2 2 371.363 0.071 20 30 FCEDLP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150357499 1222898875 /nfs/dbraw/zinc/89/88/75/1222898875.db2.gz QIWIXGMOLAXQQP-BRWVUGGUSA-N 2 2 362.474 0.933 20 30 FCEDLP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150357499 1222898878 /nfs/dbraw/zinc/89/88/78/1222898878.db2.gz QIWIXGMOLAXQQP-BRWVUGGUSA-N 2 2 362.474 0.933 20 30 FCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711523 1226166981 /nfs/dbraw/zinc/16/69/81/1226166981.db2.gz JKWCCPDCYXXEMF-PKOBYXMFSA-N 2 2 360.458 0.351 20 30 FCEDLP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277711523 1226166984 /nfs/dbraw/zinc/16/69/84/1226166984.db2.gz JKWCCPDCYXXEMF-PKOBYXMFSA-N 2 2 360.458 0.351 20 30 FCEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205741610 1223336987 /nfs/dbraw/zinc/33/69/87/1223336987.db2.gz NGICTTUEQKQNPU-MOPGFXCFSA-N 2 2 363.502 0.718 20 30 FCEDLP 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C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107620314 1259135975 /nfs/dbraw/zinc/13/59/75/1259135975.db2.gz JHDMCYYBJXCDGA-VQIMIIECSA-N 2 2 359.474 0.924 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107620314 1259135979 /nfs/dbraw/zinc/13/59/79/1259135979.db2.gz JHDMCYYBJXCDGA-VQIMIIECSA-N 2 2 359.474 0.924 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537107 1259163596 /nfs/dbraw/zinc/16/35/96/1259163596.db2.gz PUXMCTLMSXVHQL-ZWOKBUDYSA-N 2 2 371.485 0.802 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399719 1259490647 /nfs/dbraw/zinc/49/06/47/1259490647.db2.gz QSWWCCMXHLUIIF-BRWVUGGUSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399719 1259490653 /nfs/dbraw/zinc/49/06/53/1259490653.db2.gz QSWWCCMXHLUIIF-BRWVUGGUSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399719 1259490660 /nfs/dbraw/zinc/49/06/60/1259490660.db2.gz QSWWCCMXHLUIIF-BRWVUGGUSA-N 2 2 366.506 0.082 20 30 FCEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399719 1259490663 /nfs/dbraw/zinc/49/06/63/1259490663.db2.gz QSWWCCMXHLUIIF-BRWVUGGUSA-N 2 2 366.506 0.082 20 30 FCEDLP C#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001336697280 1260204571 /nfs/dbraw/zinc/20/45/71/1260204571.db2.gz ABBFLEMILMSOEL-QGZVFWFLSA-N 2 2 354.454 0.891 20 30 FCEDLP C#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001336697280 1260204580 /nfs/dbraw/zinc/20/45/80/1260204580.db2.gz ABBFLEMILMSOEL-QGZVFWFLSA-N 2 2 354.454 0.891 20 30 FCEDLP C#CC[NH2+]CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001343452921 1269913049 /nfs/dbraw/zinc/91/30/49/1269913049.db2.gz MPMGWARVXCATPH-UHFFFAOYSA-N 2 2 357.458 0.058 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH3+])CC1 ZINC001574673964 1271479133 /nfs/dbraw/zinc/47/91/33/1271479133.db2.gz SGXUYDHGKIORPI-HNNXBMFYSA-N 2 2 353.474 0.999 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3[NH2+]2)CC1 ZINC001574706899 1271497463 /nfs/dbraw/zinc/49/74/63/1271497463.db2.gz JIQWYFQWROFXHB-IKGGRYGDSA-N 2 2 372.517 0.708 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001574707479 1271498480 /nfs/dbraw/zinc/49/84/80/1271498480.db2.gz TTYQWXTYTUGIIN-DLBZAZTESA-N 2 2 358.490 0.537 20 30 FCEDLP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716100369 1287372282 /nfs/dbraw/zinc/37/22/82/1287372282.db2.gz OHJNAULGTALWOC-QJPTWQEYSA-N 2 2 357.252 0.499 20 30 FCEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588444346 1282508862 /nfs/dbraw/zinc/50/88/62/1282508862.db2.gz YBGJKMNGOSTYMV-UHFFFAOYSA-N 2 2 355.446 0.629 20 30 FCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001588657732 1282609826 /nfs/dbraw/zinc/60/98/26/1282609826.db2.gz VHMCYYQAUCCEPS-HNNXBMFYSA-N 2 2 358.446 0.846 20 30 FCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609057183 1288891778 /nfs/dbraw/zinc/89/17/78/1288891778.db2.gz CTKICQGUZMDKLA-INIZCTEOSA-N 2 2 358.446 0.846 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001692079115 1289384604 /nfs/dbraw/zinc/38/46/04/1289384604.db2.gz BNOMJVAGIAIPKU-IKGGRYGDSA-N 2 2 359.474 0.628 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001692186048 1289423569 /nfs/dbraw/zinc/42/35/69/1289423569.db2.gz VJSQCBGDLNQQRD-DLBZAZTESA-N 2 2 371.485 0.480 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001692186048 1289423575 /nfs/dbraw/zinc/42/35/75/1289423575.db2.gz VJSQCBGDLNQQRD-DLBZAZTESA-N 2 2 371.485 0.480 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCCC)CC[C@@H]2C1 ZINC001692267118 1289439560 /nfs/dbraw/zinc/43/95/60/1289439560.db2.gz DZJLCYLLLSCUHX-SQNIBIBYSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCCC)CC[C@@H]2C1 ZINC001692267118 1289439564 /nfs/dbraw/zinc/43/95/64/1289439564.db2.gz DZJLCYLLLSCUHX-SQNIBIBYSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCCC)CC[C@@H]2C1 ZINC001692267118 1289439569 /nfs/dbraw/zinc/43/95/69/1289439569.db2.gz DZJLCYLLLSCUHX-SQNIBIBYSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCCC)CC[C@@H]2C1 ZINC001692267118 1289439574 /nfs/dbraw/zinc/43/95/74/1289439574.db2.gz DZJLCYLLLSCUHX-SQNIBIBYSA-N 2 2 360.502 0.391 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001692284326 1289443336 /nfs/dbraw/zinc/44/33/36/1289443336.db2.gz NSNIYASBVVZVNK-MSOLQXFVSA-N 2 2 371.485 0.501 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001692284326 1289443342 /nfs/dbraw/zinc/44/33/42/1289443342.db2.gz NSNIYASBVVZVNK-MSOLQXFVSA-N 2 2 371.485 0.501 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001689184535 1294652895 /nfs/dbraw/zinc/65/28/95/1294652895.db2.gz JJGAOSLIHZSFNF-RYQLBKOJSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001689184535 1294652900 /nfs/dbraw/zinc/65/29/00/1294652900.db2.gz JJGAOSLIHZSFNF-RYQLBKOJSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690899856 1294889981 /nfs/dbraw/zinc/88/99/81/1294889981.db2.gz YWBJDLPTGPFENQ-BZUAXINKSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690899856 1294889987 /nfs/dbraw/zinc/88/99/87/1294889987.db2.gz YWBJDLPTGPFENQ-BZUAXINKSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691823708 1294929164 /nfs/dbraw/zinc/92/91/64/1294929164.db2.gz CWBOXOXORMECNE-IKGGRYGDSA-N 2 2 371.485 0.412 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O ZINC001077159041 838778206 /nfs/dbraw/zinc/77/82/06/838778206.db2.gz LKYVFZDUCHDEJO-OWCLPIDISA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1O ZINC001077159041 838778213 /nfs/dbraw/zinc/77/82/13/838778213.db2.gz LKYVFZDUCHDEJO-OWCLPIDISA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001077159041 838778219 /nfs/dbraw/zinc/77/82/19/838778219.db2.gz LKYVFZDUCHDEJO-OWCLPIDISA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001077159041 838778226 /nfs/dbraw/zinc/77/82/26/838778226.db2.gz LKYVFZDUCHDEJO-OWCLPIDISA-N 2 2 362.499 0.253 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)CC1 ZINC001078227264 839417145 /nfs/dbraw/zinc/41/71/45/839417145.db2.gz REMZEIVGNCVNBX-IAGOWNOFSA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)CC1 ZINC001078227264 839417152 /nfs/dbraw/zinc/41/71/52/839417152.db2.gz REMZEIVGNCVNBX-IAGOWNOFSA-N 2 2 362.499 0.458 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141380 846413000 /nfs/dbraw/zinc/41/30/00/846413000.db2.gz YPWGJPZJVMFSKV-ZIAGYGMSSA-N 2 2 358.364 0.902 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130811640 849047552 /nfs/dbraw/zinc/04/75/52/849047552.db2.gz BHLNKKWJSPPLJV-UONOGXRCSA-N 2 2 350.467 0.758 20 30 FCEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415289 849794935 /nfs/dbraw/zinc/79/49/35/849794935.db2.gz LXAPZHBZGFKGMS-KURKYZTESA-N 2 2 351.491 0.716 20 30 FCEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415289 849794940 /nfs/dbraw/zinc/79/49/40/849794940.db2.gz LXAPZHBZGFKGMS-KURKYZTESA-N 2 2 351.491 0.716 20 30 FCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878404 850698974 /nfs/dbraw/zinc/69/89/74/850698974.db2.gz KAXONGUSSZCQRC-KSZLIROESA-N 2 2 351.491 0.764 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001209585266 854039090 /nfs/dbraw/zinc/03/90/90/854039090.db2.gz JCPFCXOSYDWRDP-INMHGKMJSA-N 2 2 351.495 0.429 20 30 FCEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001209585266 854039095 /nfs/dbraw/zinc/03/90/95/854039095.db2.gz JCPFCXOSYDWRDP-INMHGKMJSA-N 2 2 351.495 0.429 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403376 854464985 /nfs/dbraw/zinc/46/49/85/854464985.db2.gz JSSVAIGFBUDQOW-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403376 854464989 /nfs/dbraw/zinc/46/49/89/854464989.db2.gz JSSVAIGFBUDQOW-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403376 854464994 /nfs/dbraw/zinc/46/49/94/854464994.db2.gz JSSVAIGFBUDQOW-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403376 854464997 /nfs/dbraw/zinc/46/49/97/854464997.db2.gz JSSVAIGFBUDQOW-KZNAEPCWSA-N 2 2 351.491 0.715 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810146 856693931 /nfs/dbraw/zinc/69/39/31/856693931.db2.gz HLDRBYUJQVOSJB-IXDOHACOSA-N 2 2 350.507 0.942 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810146 856693937 /nfs/dbraw/zinc/69/39/37/856693937.db2.gz HLDRBYUJQVOSJB-IXDOHACOSA-N 2 2 350.507 0.942 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1C#N ZINC000277030783 212320187 /nfs/dbraw/zinc/32/01/87/212320187.db2.gz OERPMPMTUXJFBN-UHFFFAOYSA-N 2 2 351.476 0.600 20 30 FCEDLP CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261950160 229293376 /nfs/dbraw/zinc/29/33/76/229293376.db2.gz HCTNBRQSPQJASG-ZIAGYGMSSA-N 2 2 356.496 0.281 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328726061 488933327 /nfs/dbraw/zinc/93/33/27/488933327.db2.gz UKUCZVLKEFIEEY-IRXDYDNUSA-N 2 2 353.511 0.190 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328726061 488933329 /nfs/dbraw/zinc/93/33/29/488933329.db2.gz UKUCZVLKEFIEEY-IRXDYDNUSA-N 2 2 353.511 0.190 20 30 FCEDLP CS(=O)(=O)CCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776716 488369284 /nfs/dbraw/zinc/36/92/84/488369284.db2.gz RDQRYYAQVGCFIP-UHFFFAOYSA-N 2 2 369.487 0.715 20 30 FCEDLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263716916 488621384 /nfs/dbraw/zinc/62/13/84/488621384.db2.gz COFWFEWKXBQKGH-UHFFFAOYSA-N 2 2 359.474 0.964 20 30 FCEDLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263716916 488621386 /nfs/dbraw/zinc/62/13/86/488621386.db2.gz COFWFEWKXBQKGH-UHFFFAOYSA-N 2 2 359.474 0.964 20 30 FCEDLP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000554650916 491215694 /nfs/dbraw/zinc/21/56/94/491215694.db2.gz ORLSCAXIPRCEKK-KRWDZBQOSA-N 2 2 357.458 0.474 20 30 FCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCCn3cc[nH+]c3)CC2)o1 ZINC000181115258 488863027 /nfs/dbraw/zinc/86/30/27/488863027.db2.gz PSTFTKPLQPJOAN-UHFFFAOYSA-N 2 2 371.445 0.722 20 30 FCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000329630103 489022026 /nfs/dbraw/zinc/02/20/26/489022026.db2.gz VILNHBWNOSQZEO-XUWVNRHRSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000329630103 489022028 /nfs/dbraw/zinc/02/20/28/489022028.db2.gz VILNHBWNOSQZEO-XUWVNRHRSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000329630103 489022031 /nfs/dbraw/zinc/02/20/31/489022031.db2.gz VILNHBWNOSQZEO-XUWVNRHRSA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000329630103 489022032 /nfs/dbraw/zinc/02/20/32/489022032.db2.gz VILNHBWNOSQZEO-XUWVNRHRSA-N 2 2 354.495 0.803 20 30 FCEDLP C[N@@H+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000329745720 489032487 /nfs/dbraw/zinc/03/24/87/489032487.db2.gz RKHHRMNYWFZIDF-HNNXBMFYSA-N 2 2 361.446 0.407 20 30 FCEDLP C[N@H+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000329745720 489032489 /nfs/dbraw/zinc/03/24/89/489032489.db2.gz RKHHRMNYWFZIDF-HNNXBMFYSA-N 2 2 361.446 0.407 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330173749 489076657 /nfs/dbraw/zinc/07/66/57/489076657.db2.gz HPPGTXUEPGOSLH-OIISXLGYSA-N 2 2 354.495 0.589 20 30 FCEDLP CO[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1OC ZINC000330183690 489077430 /nfs/dbraw/zinc/07/74/30/489077430.db2.gz QEAIVQFWLRSYGA-CALCHBBNSA-N 2 2 354.495 0.805 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330203021 489080005 /nfs/dbraw/zinc/08/00/05/489080005.db2.gz AKZVEOGOGHTFMS-JKSUJKDBSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330203021 489080008 /nfs/dbraw/zinc/08/00/08/489080008.db2.gz AKZVEOGOGHTFMS-JKSUJKDBSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000283102943 489215419 /nfs/dbraw/zinc/21/54/19/489215419.db2.gz LXZASAYEFNUESQ-OAHLLOKOSA-N 2 2 357.462 0.023 20 30 FCEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000283102943 489215422 /nfs/dbraw/zinc/21/54/22/489215422.db2.gz LXZASAYEFNUESQ-OAHLLOKOSA-N 2 2 357.462 0.023 20 30 FCEDLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286589115 489407145 /nfs/dbraw/zinc/40/71/45/489407145.db2.gz VVHDFNLWDWOBPO-INIZCTEOSA-N 2 2 371.485 0.659 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000371542669 489487700 /nfs/dbraw/zinc/48/77/00/489487700.db2.gz DZSPHKUNEXBGOY-HKUYNNGSSA-N 2 2 372.469 0.712 20 30 FCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000371542669 489487701 /nfs/dbraw/zinc/48/77/01/489487701.db2.gz DZSPHKUNEXBGOY-HKUYNNGSSA-N 2 2 372.469 0.712 20 30 FCEDLP C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135707 489492016 /nfs/dbraw/zinc/49/20/16/489492016.db2.gz DPIVRCBHYZFDEM-KURKYZTESA-N 2 2 370.453 0.310 20 30 FCEDLP C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135707 489492019 /nfs/dbraw/zinc/49/20/19/489492019.db2.gz DPIVRCBHYZFDEM-KURKYZTESA-N 2 2 370.453 0.310 20 30 FCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135707 489492023 /nfs/dbraw/zinc/49/20/23/489492023.db2.gz DPIVRCBHYZFDEM-KURKYZTESA-N 2 2 370.453 0.310 20 30 FCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000414135707 489492026 /nfs/dbraw/zinc/49/20/26/489492026.db2.gz DPIVRCBHYZFDEM-KURKYZTESA-N 2 2 370.453 0.310 20 30 FCEDLP C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958195 489791643 /nfs/dbraw/zinc/79/16/43/489791643.db2.gz HAVSEIVYGLMMRP-ZWKOTPCHSA-N 2 2 360.506 0.600 20 30 FCEDLP C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958195 489791646 /nfs/dbraw/zinc/79/16/46/489791646.db2.gz HAVSEIVYGLMMRP-ZWKOTPCHSA-N 2 2 360.506 0.600 20 30 FCEDLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420081276 489905488 /nfs/dbraw/zinc/90/54/88/489905488.db2.gz MYDNTDWMAXHSRO-UHFFFAOYSA-N 2 2 371.485 0.836 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420089787 489908678 /nfs/dbraw/zinc/90/86/78/489908678.db2.gz KJUQABMOYPPSBS-UHFFFAOYSA-N 2 2 355.442 0.200 20 30 FCEDLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498382870 490289948 /nfs/dbraw/zinc/28/99/48/490289948.db2.gz GCICEYJNNWALMM-UHFFFAOYSA-N 2 2 373.501 0.905 20 30 FCEDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498382870 490289955 /nfs/dbraw/zinc/28/99/55/490289955.db2.gz GCICEYJNNWALMM-UHFFFAOYSA-N 2 2 373.501 0.905 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ncc1C#N ZINC000565189520 491358609 /nfs/dbraw/zinc/35/86/09/491358609.db2.gz GZQAOOPRDDLDKH-UHFFFAOYSA-N 2 2 372.473 0.685 20 30 FCEDLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ncc1C#N ZINC000565189520 491358612 /nfs/dbraw/zinc/35/86/12/491358612.db2.gz GZQAOOPRDDLDKH-UHFFFAOYSA-N 2 2 372.473 0.685 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000516049939 490847984 /nfs/dbraw/zinc/84/79/84/490847984.db2.gz FCUDNFFSPPYSKO-SFHVURJKSA-N 2 2 374.485 0.635 20 30 FCEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170875 490932066 /nfs/dbraw/zinc/93/20/66/490932066.db2.gz JCXCWBDCZFZRPJ-LJQANCHMSA-N 2 2 373.501 0.621 20 30 FCEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170875 490932069 /nfs/dbraw/zinc/93/20/69/490932069.db2.gz JCXCWBDCZFZRPJ-LJQANCHMSA-N 2 2 373.501 0.621 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000557766300 491396964 /nfs/dbraw/zinc/39/69/64/491396964.db2.gz DHLLKQKWTLZYRN-OAHLLOKOSA-N 2 2 359.474 0.893 20 30 FCEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000567966510 491543800 /nfs/dbraw/zinc/54/38/00/491543800.db2.gz MMMQUQQMGWPQMS-QGZVFWFLSA-N 2 2 373.457 0.708 20 30 FCEDLP CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000577606254 491635575 /nfs/dbraw/zinc/63/55/75/491635575.db2.gz XJMYYTZEYZVMOZ-UHFFFAOYSA-N 2 2 371.551 0.959 20 30 FCEDLP CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000577606254 491635576 /nfs/dbraw/zinc/63/55/76/491635576.db2.gz XJMYYTZEYZVMOZ-UHFFFAOYSA-N 2 2 371.551 0.959 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144054 491719251 /nfs/dbraw/zinc/71/92/51/491719251.db2.gz ZWHZZWWSADNMBW-IAGOWNOFSA-N 2 2 358.490 0.902 20 30 FCEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000580144054 491719252 /nfs/dbraw/zinc/71/92/52/491719252.db2.gz ZWHZZWWSADNMBW-IAGOWNOFSA-N 2 2 358.490 0.902 20 30 FCEDLP C[C@@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000580435575 491731223 /nfs/dbraw/zinc/73/12/23/491731223.db2.gz CCQQXHWIGUDWBQ-OAHLLOKOSA-N 2 2 366.487 0.817 20 30 FCEDLP C[C@@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000580435575 491731224 /nfs/dbraw/zinc/73/12/24/491731224.db2.gz CCQQXHWIGUDWBQ-OAHLLOKOSA-N 2 2 366.487 0.817 20 30 FCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602591680 491993624 /nfs/dbraw/zinc/99/36/24/491993624.db2.gz BREOUFNDTVZPMA-IRXDYDNUSA-N 2 2 364.490 0.608 20 30 FCEDLP C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179226797 526362372 /nfs/dbraw/zinc/36/23/72/526362372.db2.gz BPGNFPBZJZCUGL-LSDHHAIUSA-N 2 2 370.523 0.669 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCN(C(=O)C2CC2)CC1 ZINC000262765397 526388798 /nfs/dbraw/zinc/38/87/98/526388798.db2.gz HCPIQPIWTMWSRP-UHFFFAOYSA-N 2 2 361.494 0.552 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262819210 526389019 /nfs/dbraw/zinc/38/90/19/526389019.db2.gz WNILZLMNCMJTJA-KGLIPLIRSA-N 2 2 363.510 0.798 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286795672 526578287 /nfs/dbraw/zinc/57/82/87/526578287.db2.gz UOIFXLWMQCCBGE-QGZVFWFLSA-N 2 2 371.485 0.933 20 30 FCEDLP C=C1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(=C)CC3)CC2)CC1 ZINC000264511175 526902717 /nfs/dbraw/zinc/90/27/17/526902717.db2.gz XWEDLJPTNVEVSB-UHFFFAOYSA-N 2 2 360.502 0.961 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262381733 527385111 /nfs/dbraw/zinc/38/51/11/527385111.db2.gz KMWVEUCYGOVASM-OFQRWUPVSA-N 2 2 356.536 0.847 20 30 FCEDLP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262381733 527385116 /nfs/dbraw/zinc/38/51/16/527385116.db2.gz KMWVEUCYGOVASM-OFQRWUPVSA-N 2 2 356.536 0.847 20 30 FCEDLP C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000328978675 546527895 /nfs/dbraw/zinc/52/78/95/546527895.db2.gz XCXTWVJGPSUHFS-HNNXBMFYSA-N 2 2 350.467 0.439 20 30 FCEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023504061 663636129 /nfs/dbraw/zinc/63/61/29/663636129.db2.gz YWSXJEFMGUNGCM-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023504061 663636130 /nfs/dbraw/zinc/63/61/30/663636130.db2.gz YWSXJEFMGUNGCM-KURKYZTESA-N 2 2 351.491 0.880 20 30 FCEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667034 664835318 /nfs/dbraw/zinc/83/53/18/664835318.db2.gz KMMINHKEEGTIGD-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667034 664835320 /nfs/dbraw/zinc/83/53/20/664835320.db2.gz KMMINHKEEGTIGD-MSOLQXFVSA-N 2 2 351.491 0.977 20 30 FCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194145 1168304507 /nfs/dbraw/zinc/30/45/07/1168304507.db2.gz YHYUETDPVGNTSH-ZWKOTPCHSA-N 2 2 358.442 0.819 20 30 FCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194145 1168304515 /nfs/dbraw/zinc/30/45/15/1168304515.db2.gz YHYUETDPVGNTSH-ZWKOTPCHSA-N 2 2 358.442 0.819 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274657 1168888226 /nfs/dbraw/zinc/88/82/26/1168888226.db2.gz UJEKENNQYVKAQP-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274657 1168888230 /nfs/dbraw/zinc/88/82/30/1168888230.db2.gz UJEKENNQYVKAQP-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314167 1169898152 /nfs/dbraw/zinc/89/81/52/1169898152.db2.gz HZKCKQKWNAVOSP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314167 1169898153 /nfs/dbraw/zinc/89/81/53/1169898153.db2.gz HZKCKQKWNAVOSP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001021713675 1169917883 /nfs/dbraw/zinc/91/78/83/1169917883.db2.gz CUWWRHOPVBUALH-OKZBNKHCSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001021713675 1169917894 /nfs/dbraw/zinc/91/78/94/1169917894.db2.gz CUWWRHOPVBUALH-OKZBNKHCSA-N 2 2 369.469 0.348 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001021886816 1170251273 /nfs/dbraw/zinc/25/12/73/1170251273.db2.gz UAEFGNIDWLFGLZ-FUHWJXTLSA-N 2 2 369.469 0.357 20 30 FCEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)[NH+]1CCOCC1 ZINC000328847041 1170803302 /nfs/dbraw/zinc/80/33/02/1170803302.db2.gz VQQYXDVAGFWIKI-GVDBMIGSSA-N 2 2 369.506 0.916 20 30 FCEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)[NH+]1CCOCC1 ZINC000328847041 1170803303 /nfs/dbraw/zinc/80/33/03/1170803303.db2.gz VQQYXDVAGFWIKI-GVDBMIGSSA-N 2 2 369.506 0.916 20 30 FCEDLP C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC#N)n1cc[nH+]c1 ZINC001691372768 1171228067 /nfs/dbraw/zinc/22/80/67/1171228067.db2.gz RCPMKKJGPDLGCG-PMPSAXMXSA-N 2 2 360.462 0.691 20 30 FCEDLP COCC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001691394890 1171261473 /nfs/dbraw/zinc/26/14/73/1171261473.db2.gz PMEQEGNPLCIWCS-QRVBRYPASA-N 2 2 365.518 0.964 20 30 FCEDLP COCC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001691394890 1171261495 /nfs/dbraw/zinc/26/14/95/1171261495.db2.gz PMEQEGNPLCIWCS-QRVBRYPASA-N 2 2 365.518 0.964 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665378 1182346723 /nfs/dbraw/zinc/34/67/23/1182346723.db2.gz YXNZPFMQPRINMG-OAGGEKHMSA-N 2 2 371.485 0.653 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)CC1 ZINC001083283693 1182499486 /nfs/dbraw/zinc/49/94/86/1182499486.db2.gz OGNKUORBSWKPQA-RBUKOAKNSA-N 2 2 371.485 0.177 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]32)CC1 ZINC001083283693 1182499498 /nfs/dbraw/zinc/49/94/98/1182499498.db2.gz OGNKUORBSWKPQA-RBUKOAKNSA-N 2 2 371.485 0.177 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439878 1186419201 /nfs/dbraw/zinc/41/92/01/1186419201.db2.gz MKVPYZXQRYHDOA-BRWVUGGUSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439878 1186419206 /nfs/dbraw/zinc/41/92/06/1186419206.db2.gz MKVPYZXQRYHDOA-BRWVUGGUSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439878 1186419211 /nfs/dbraw/zinc/41/92/11/1186419211.db2.gz MKVPYZXQRYHDOA-BRWVUGGUSA-N 2 2 364.490 0.027 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981439878 1186419224 /nfs/dbraw/zinc/41/92/24/1186419224.db2.gz MKVPYZXQRYHDOA-BRWVUGGUSA-N 2 2 364.490 0.027 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001691501898 1186686879 /nfs/dbraw/zinc/68/68/79/1186686879.db2.gz HAXNVVXCVQBICH-BBWFWOEESA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001691501898 1186686883 /nfs/dbraw/zinc/68/68/83/1186686883.db2.gz HAXNVVXCVQBICH-BBWFWOEESA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC(=O)NCC#N ZINC001691501898 1186686885 /nfs/dbraw/zinc/68/68/85/1186686885.db2.gz HAXNVVXCVQBICH-BBWFWOEESA-N 2 2 363.506 0.858 20 30 FCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC(=O)NCC#N ZINC001691501898 1186686886 /nfs/dbraw/zinc/68/68/86/1186686886.db2.gz HAXNVVXCVQBICH-BBWFWOEESA-N 2 2 363.506 0.858 20 30 FCEDLP C#CC(=O)N1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269847967 1187895459 /nfs/dbraw/zinc/89/54/59/1187895459.db2.gz OOJLXEHSHKBBDB-HZPDHXFCSA-N 2 2 357.458 0.148 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC000983928943 1188399890 /nfs/dbraw/zinc/39/98/90/1188399890.db2.gz YSHUEHJLDDDNGF-QCODTGAPSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC000983928943 1188399892 /nfs/dbraw/zinc/39/98/92/1188399892.db2.gz YSHUEHJLDDDNGF-QCODTGAPSA-N 2 2 357.458 0.785 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)CC1 ZINC001087840411 1189848075 /nfs/dbraw/zinc/84/80/75/1189848075.db2.gz WOFWWZLHTHAXAB-ZWKOTPCHSA-N 2 2 358.490 0.629 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)CC1 ZINC001087840411 1189848076 /nfs/dbraw/zinc/84/80/76/1189848076.db2.gz WOFWWZLHTHAXAB-ZWKOTPCHSA-N 2 2 358.490 0.629 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)o3)CC[C@@H]2C1 ZINC001087997895 1190173832 /nfs/dbraw/zinc/17/38/32/1190173832.db2.gz FYDQXOWBBHTCBB-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)o3)CC[C@@H]2C1 ZINC001087997895 1190173837 /nfs/dbraw/zinc/17/38/37/1190173837.db2.gz FYDQXOWBBHTCBB-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(C)o3)CC[C@@H]2C1 ZINC001087997895 1190173840 /nfs/dbraw/zinc/17/38/40/1190173840.db2.gz FYDQXOWBBHTCBB-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(C)o3)CC[C@@H]2C1 ZINC001087997895 1190173843 /nfs/dbraw/zinc/17/38/43/1190173843.db2.gz FYDQXOWBBHTCBB-IKGGRYGDSA-N 2 2 357.458 0.756 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197054 1224146640 /nfs/dbraw/zinc/14/66/40/1224146640.db2.gz ZBENYGRDFJWUDK-RYQLBKOJSA-N 2 2 360.458 0.560 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197054 1224146642 /nfs/dbraw/zinc/14/66/42/1224146642.db2.gz ZBENYGRDFJWUDK-RYQLBKOJSA-N 2 2 360.458 0.560 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218478021 1224163342 /nfs/dbraw/zinc/16/33/42/1224163342.db2.gz QTYMZSOBPHPIFO-ARLBYUKCSA-N 2 2 373.409 0.435 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1O ZINC001083537079 1194228745 /nfs/dbraw/zinc/22/87/45/1194228745.db2.gz AIVBDLGWVJYVTA-AABGKKOBSA-N 2 2 355.482 0.878 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1O ZINC001083537079 1194228750 /nfs/dbraw/zinc/22/87/50/1194228750.db2.gz AIVBDLGWVJYVTA-AABGKKOBSA-N 2 2 355.482 0.878 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2)C[C@@H]1O ZINC001083537079 1194228759 /nfs/dbraw/zinc/22/87/59/1194228759.db2.gz AIVBDLGWVJYVTA-AABGKKOBSA-N 2 2 355.482 0.878 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001276794518 1224211338 /nfs/dbraw/zinc/21/13/38/1224211338.db2.gz LSNNKJCVYDVDOZ-APWZRJJASA-N 2 2 366.506 0.590 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001276794518 1224211349 /nfs/dbraw/zinc/21/13/49/1224211349.db2.gz LSNNKJCVYDVDOZ-APWZRJJASA-N 2 2 366.506 0.590 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131126 1195247302 /nfs/dbraw/zinc/24/73/02/1195247302.db2.gz NMEBUJQQUOFCAM-KZNAEPCWSA-N 2 2 365.437 0.994 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131126 1195247307 /nfs/dbraw/zinc/24/73/07/1195247307.db2.gz NMEBUJQQUOFCAM-KZNAEPCWSA-N 2 2 365.437 0.994 20 30 FCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033478 1224305936 /nfs/dbraw/zinc/30/59/36/1224305936.db2.gz NTUMGXKPEKZTCM-OKZBNKHCSA-N 2 2 367.490 0.069 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033478 1224305939 /nfs/dbraw/zinc/30/59/39/1224305939.db2.gz NTUMGXKPEKZTCM-OKZBNKHCSA-N 2 2 367.490 0.069 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3CC)[C@@H]2C)CC1 ZINC001089060045 1196879643 /nfs/dbraw/zinc/87/96/43/1196879643.db2.gz PNVUCNLATZLDEJ-QAPCUYQASA-N 2 2 358.490 0.722 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3CC)[C@@H]2C)CC1 ZINC001089060045 1196879644 /nfs/dbraw/zinc/87/96/44/1196879644.db2.gz PNVUCNLATZLDEJ-QAPCUYQASA-N 2 2 358.490 0.722 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331358 1197067947 /nfs/dbraw/zinc/06/79/47/1197067947.db2.gz JCYQPOWOLGIPDA-KXBFYZLASA-N 2 2 359.474 0.863 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106317752 1197861105 /nfs/dbraw/zinc/86/11/05/1197861105.db2.gz RNPYIOFOEQHZOQ-UKRRQHHQSA-N 2 2 353.426 0.610 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C(C)C ZINC001109857921 1200569286 /nfs/dbraw/zinc/56/92/86/1200569286.db2.gz KFESVPCKEWFNNG-MUQADHOPSA-N 2 2 363.506 0.714 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C(C)C ZINC001109857921 1200569291 /nfs/dbraw/zinc/56/92/91/1200569291.db2.gz KFESVPCKEWFNNG-MUQADHOPSA-N 2 2 363.506 0.714 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(CC)CCC#N ZINC001110016657 1200704880 /nfs/dbraw/zinc/70/48/80/1200704880.db2.gz YNWIQFQJRHZFBI-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(CC)CCC#N ZINC001110016657 1200704895 /nfs/dbraw/zinc/70/48/95/1200704895.db2.gz YNWIQFQJRHZFBI-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001110016657 1200704906 /nfs/dbraw/zinc/70/49/06/1200704906.db2.gz YNWIQFQJRHZFBI-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001110016657 1200704909 /nfs/dbraw/zinc/70/49/09/1200704909.db2.gz YNWIQFQJRHZFBI-IKGGRYGDSA-N 2 2 363.506 0.812 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552344 1200780090 /nfs/dbraw/zinc/78/00/90/1200780090.db2.gz SIKNCSQNIKNPBE-DOXZYTNZSA-N 2 2 359.474 0.861 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845739 1224651616 /nfs/dbraw/zinc/65/16/16/1224651616.db2.gz QIRLIDGEUQNJII-RYRKJORJSA-N 2 2 368.522 0.159 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845739 1224651624 /nfs/dbraw/zinc/65/16/24/1224651624.db2.gz QIRLIDGEUQNJII-RYRKJORJSA-N 2 2 368.522 0.159 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001129863790 1201408275 /nfs/dbraw/zinc/40/82/75/1201408275.db2.gz JSCGSLJLJOYICO-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887956 1201414435 /nfs/dbraw/zinc/41/44/35/1201414435.db2.gz YTZFEHZJMFFTMA-CVEARBPZSA-N 2 2 359.434 0.178 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887956 1201414436 /nfs/dbraw/zinc/41/44/36/1201414436.db2.gz YTZFEHZJMFFTMA-CVEARBPZSA-N 2 2 359.434 0.178 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917241 1201427581 /nfs/dbraw/zinc/42/75/81/1201427581.db2.gz OPBLOVGALUBRJN-OIISXLGYSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917242 1201427698 /nfs/dbraw/zinc/42/76/98/1201427698.db2.gz OPBLOVGALUBRJN-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917161 1201427924 /nfs/dbraw/zinc/42/79/24/1201427924.db2.gz NLBBIYHVRVXNDD-OAGGEKHMSA-N 2 2 353.430 0.102 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918559 1201441082 /nfs/dbraw/zinc/44/10/82/1201441082.db2.gz DKPDJAPUPIJZSC-QGTPRVQTSA-N 2 2 367.457 0.480 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918559 1201441084 /nfs/dbraw/zinc/44/10/84/1201441084.db2.gz DKPDJAPUPIJZSC-QGTPRVQTSA-N 2 2 367.457 0.480 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140333 1201516182 /nfs/dbraw/zinc/51/61/82/1201516182.db2.gz WCCIQWPRQRRZGG-FGTMMUONSA-N 2 2 367.457 0.341 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130192928 1201529835 /nfs/dbraw/zinc/52/98/35/1201529835.db2.gz BHZTVLXALOGMOX-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130192928 1201529839 /nfs/dbraw/zinc/52/98/39/1201529839.db2.gz BHZTVLXALOGMOX-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130192928 1201529843 /nfs/dbraw/zinc/52/98/43/1201529843.db2.gz BHZTVLXALOGMOX-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130192928 1201529846 /nfs/dbraw/zinc/52/98/46/1201529846.db2.gz BHZTVLXALOGMOX-KKUMJFAQSA-N 2 2 362.478 0.553 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130220553 1201546256 /nfs/dbraw/zinc/54/62/56/1201546256.db2.gz DBAWIXCMBKGEOS-ZNMIVQPWSA-N 2 2 364.494 0.799 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130248952 1201567721 /nfs/dbraw/zinc/56/77/21/1201567721.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130248952 1201567725 /nfs/dbraw/zinc/56/77/25/1201567725.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001130772630 1202788239 /nfs/dbraw/zinc/78/82/39/1202788239.db2.gz VDGITNRRNKRRQP-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772630 1202788240 /nfs/dbraw/zinc/78/82/40/1202788240.db2.gz VDGITNRRNKRRQP-SOUVJXGZSA-N 2 2 362.478 0.901 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790356 1202798381 /nfs/dbraw/zinc/79/83/81/1202798381.db2.gz VWLJJJOVDQEUOZ-LZWOXQAQSA-N 2 2 360.462 0.204 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3c[nH+]cc3C)n2)O1 ZINC001130792647 1202799847 /nfs/dbraw/zinc/79/98/47/1202799847.db2.gz PBYXFTODIVQIRQ-LSDHHAIUSA-N 2 2 371.445 0.459 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130819651 1202809354 /nfs/dbraw/zinc/80/93/54/1202809354.db2.gz BIWLDLCZDNCRRB-LSDHHAIUSA-N 2 2 362.478 0.594 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130819651 1202809355 /nfs/dbraw/zinc/80/93/55/1202809355.db2.gz BIWLDLCZDNCRRB-LSDHHAIUSA-N 2 2 362.478 0.594 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001220375776 1224849022 /nfs/dbraw/zinc/84/90/22/1224849022.db2.gz FCSYWVFRZYDVST-IKGGRYGDSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001220375776 1224849025 /nfs/dbraw/zinc/84/90/25/1224849025.db2.gz FCSYWVFRZYDVST-IKGGRYGDSA-N 2 2 360.458 0.568 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984778 1204879513 /nfs/dbraw/zinc/87/95/13/1204879513.db2.gz DDPKJHNUTVKBSY-JCGIZDLHSA-N 2 2 352.442 0.396 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142638 1206074522 /nfs/dbraw/zinc/07/45/22/1206074522.db2.gz JXEFYHITMBXGHD-QYZOEREBSA-N 2 2 368.481 0.833 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142638 1206074524 /nfs/dbraw/zinc/07/45/24/1206074524.db2.gz JXEFYHITMBXGHD-QYZOEREBSA-N 2 2 368.481 0.833 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001110145983 1206090811 /nfs/dbraw/zinc/09/08/11/1206090811.db2.gz DAQAXTSNAFOJPV-QYZOEREBSA-N 2 2 374.529 0.969 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001110145983 1206090812 /nfs/dbraw/zinc/09/08/12/1206090812.db2.gz DAQAXTSNAFOJPV-QYZOEREBSA-N 2 2 374.529 0.969 20 30 FCEDLP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783384 1206246843 /nfs/dbraw/zinc/24/68/43/1206246843.db2.gz PQBFAMZRUHFUOG-NUEKZKHPSA-N 2 2 357.458 0.501 20 30 FCEDLP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360275 1206303988 /nfs/dbraw/zinc/30/39/88/1206303988.db2.gz ZMHUXGMXRGHEQC-BZUAXINKSA-N 2 2 359.474 0.538 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312855 1207532876 /nfs/dbraw/zinc/53/28/76/1207532876.db2.gz XUPHVJHFNHIKGC-FGTMMUONSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312855 1207532882 /nfs/dbraw/zinc/53/28/82/1207532882.db2.gz XUPHVJHFNHIKGC-FGTMMUONSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433564 1207550090 /nfs/dbraw/zinc/55/00/90/1207550090.db2.gz PSFFJJHVGMKBSQ-DLBZAZTESA-N 2 2 357.458 0.254 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433564 1207550092 /nfs/dbraw/zinc/55/00/92/1207550092.db2.gz PSFFJJHVGMKBSQ-DLBZAZTESA-N 2 2 357.458 0.254 20 30 FCEDLP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1 ZINC001190317068 1207673258 /nfs/dbraw/zinc/67/32/58/1207673258.db2.gz CHWUHWCQGCEPLP-ZWKOTPCHSA-N 2 2 369.469 0.534 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CC1 ZINC001193781827 1207888916 /nfs/dbraw/zinc/88/89/16/1207888916.db2.gz PZJIDWAWNWBGLR-KZNAEPCWSA-N 2 2 360.433 0.699 20 30 FCEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O)C1CC1 ZINC001193781827 1207888918 /nfs/dbraw/zinc/88/89/18/1207888918.db2.gz PZJIDWAWNWBGLR-KZNAEPCWSA-N 2 2 360.433 0.699 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198048381 1208213289 /nfs/dbraw/zinc/21/32/89/1208213289.db2.gz SLVPXFRWXVKPND-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198048381 1208213293 /nfs/dbraw/zinc/21/32/93/1208213293.db2.gz SLVPXFRWXVKPND-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048381 1208213297 /nfs/dbraw/zinc/21/32/97/1208213297.db2.gz SLVPXFRWXVKPND-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048381 1208213301 /nfs/dbraw/zinc/21/33/01/1208213301.db2.gz SLVPXFRWXVKPND-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574542 1208479154 /nfs/dbraw/zinc/47/91/54/1208479154.db2.gz XKAIDCPWYWSWFO-OIISXLGYSA-N 2 2 374.489 0.082 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574542 1208479158 /nfs/dbraw/zinc/47/91/58/1208479158.db2.gz XKAIDCPWYWSWFO-OIISXLGYSA-N 2 2 374.489 0.082 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220915428 1225138189 /nfs/dbraw/zinc/13/81/89/1225138189.db2.gz ZZBFQZQQWAXJSG-HLIPFELVSA-N 2 2 367.453 0.501 20 30 FCEDLP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220915271 1225138299 /nfs/dbraw/zinc/13/82/99/1225138299.db2.gz UQOPBJQRSKBPLT-FOIQADDNSA-N 2 2 367.453 0.231 20 30 FCEDLP O=C1OCCN1[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437339 1209549198 /nfs/dbraw/zinc/54/91/98/1209549198.db2.gz AHZYJBQBRUBYJS-HOTGVXAUSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437339 1209549204 /nfs/dbraw/zinc/54/92/04/1209549204.db2.gz AHZYJBQBRUBYJS-HOTGVXAUSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437341 1209550352 /nfs/dbraw/zinc/55/03/52/1209550352.db2.gz AHZYJBQBRUBYJS-HZPDHXFCSA-N 2 2 362.430 0.043 20 30 FCEDLP O=C1OCCN1[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437341 1209550360 /nfs/dbraw/zinc/55/03/60/1209550360.db2.gz AHZYJBQBRUBYJS-HZPDHXFCSA-N 2 2 362.430 0.043 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746657 1209789818 /nfs/dbraw/zinc/78/98/18/1209789818.db2.gz YDDJQXRPYPQUSM-KURKYZTESA-N 2 2 369.469 0.379 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746657 1209789821 /nfs/dbraw/zinc/78/98/21/1209789821.db2.gz YDDJQXRPYPQUSM-KURKYZTESA-N 2 2 369.469 0.379 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412290 1210733929 /nfs/dbraw/zinc/73/39/29/1210733929.db2.gz MZWWNDFKELMIKY-WXNRQPJFSA-N 3 2 359.518 0.753 20 30 FCEDLP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412290 1210733932 /nfs/dbraw/zinc/73/39/32/1210733932.db2.gz MZWWNDFKELMIKY-WXNRQPJFSA-N 3 2 359.518 0.753 20 30 FCEDLP C#CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000886581334 1210832591 /nfs/dbraw/zinc/83/25/91/1210832591.db2.gz TXVQPYBNNJVHHX-UHFFFAOYSA-N 2 2 355.486 0.760 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)nc1C ZINC001095556442 1211410610 /nfs/dbraw/zinc/41/06/10/1211410610.db2.gz RRNPXARABKPALX-XWSJACJDSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1nc(C)nc1C ZINC001095556442 1211410612 /nfs/dbraw/zinc/41/06/12/1211410612.db2.gz RRNPXARABKPALX-XWSJACJDSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)nc1C ZINC001095556442 1211410613 /nfs/dbraw/zinc/41/06/13/1211410613.db2.gz RRNPXARABKPALX-XWSJACJDSA-N 2 2 370.501 0.714 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)nc1C ZINC001095556442 1211410615 /nfs/dbraw/zinc/41/06/15/1211410615.db2.gz RRNPXARABKPALX-XWSJACJDSA-N 2 2 370.501 0.714 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110934718 1211591799 /nfs/dbraw/zinc/59/17/99/1211591799.db2.gz LJXITYQNJZEQAQ-HZMVEIRTSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110934718 1211591801 /nfs/dbraw/zinc/59/18/01/1211591801.db2.gz LJXITYQNJZEQAQ-HZMVEIRTSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001110934718 1211591803 /nfs/dbraw/zinc/59/18/03/1211591803.db2.gz LJXITYQNJZEQAQ-HZMVEIRTSA-N 2 2 361.490 0.470 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001110934718 1211591805 /nfs/dbraw/zinc/59/18/05/1211591805.db2.gz LJXITYQNJZEQAQ-HZMVEIRTSA-N 2 2 361.490 0.470 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111035591 1211813362 /nfs/dbraw/zinc/81/33/62/1211813362.db2.gz INWVYKNDCQDWSO-KBXIAJHMSA-N 2 2 365.478 0.060 20 30 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C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999996468 1252267665 /nfs/dbraw/zinc/26/76/65/1252267665.db2.gz JKRFETURWKYABU-BZUAXINKSA-N 2 2 353.430 0.691 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c[nH+]cc1C ZINC001003676037 1253054399 /nfs/dbraw/zinc/05/43/99/1253054399.db2.gz DRUMPNQHESDQAQ-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c[nH+]cc1C ZINC001003676037 1253054404 /nfs/dbraw/zinc/05/44/04/1253054404.db2.gz DRUMPNQHESDQAQ-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031770016 1253894065 /nfs/dbraw/zinc/89/40/65/1253894065.db2.gz VHEAKKMNSMKQRL-FZKQIMNGSA-N 2 2 360.433 0.964 20 30 FCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031770016 1253894072 /nfs/dbraw/zinc/89/40/72/1253894072.db2.gz VHEAKKMNSMKQRL-FZKQIMNGSA-N 2 2 360.433 0.964 20 30 FCEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033907647 1253970698 /nfs/dbraw/zinc/97/06/98/1253970698.db2.gz DXPURNFURONOJQ-OTWHNJEPSA-N 2 2 363.502 0.812 20 30 FCEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033907647 1253970703 /nfs/dbraw/zinc/97/07/03/1253970703.db2.gz DXPURNFURONOJQ-OTWHNJEPSA-N 2 2 363.502 0.812 20 30 FCEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324117 1253990405 /nfs/dbraw/zinc/99/04/05/1253990405.db2.gz SPFRGESQQNIFPT-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324117 1253990422 /nfs/dbraw/zinc/99/04/22/1253990422.db2.gz SPFRGESQQNIFPT-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254152 1255488563 /nfs/dbraw/zinc/48/85/63/1255488563.db2.gz OAYOGKRTNMZLJO-DLBZAZTESA-N 2 2 356.470 0.925 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001081810239 1256389713 /nfs/dbraw/zinc/38/97/13/1256389713.db2.gz PGOZGULHYRQSJM-IYWMVGAKSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001081810239 1256389718 /nfs/dbraw/zinc/38/97/18/1256389718.db2.gz PGOZGULHYRQSJM-IYWMVGAKSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001081810239 1256389726 /nfs/dbraw/zinc/38/97/26/1256389726.db2.gz PGOZGULHYRQSJM-IYWMVGAKSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001081810239 1256389737 /nfs/dbraw/zinc/38/97/37/1256389737.db2.gz PGOZGULHYRQSJM-IYWMVGAKSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001082568731 1256873511 /nfs/dbraw/zinc/87/35/11/1256873511.db2.gz OEKUCYWJGLUGED-OIISXLGYSA-N 2 2 357.458 0.519 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001082568731 1256873521 /nfs/dbraw/zinc/87/35/21/1256873521.db2.gz OEKUCYWJGLUGED-OIISXLGYSA-N 2 2 357.458 0.519 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC1 ZINC001083749175 1257487306 /nfs/dbraw/zinc/48/73/06/1257487306.db2.gz LIZBGEQYDMNMGO-MSOLQXFVSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC1 ZINC001083749175 1257487310 /nfs/dbraw/zinc/48/73/10/1257487310.db2.gz LIZBGEQYDMNMGO-MSOLQXFVSA-N 2 2 360.433 0.700 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085001709 1258510388 /nfs/dbraw/zinc/51/03/88/1258510388.db2.gz YMTMFHLTCGDNSQ-KSZLIROESA-N 2 2 371.485 0.983 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1=O ZINC001085001709 1258510390 /nfs/dbraw/zinc/51/03/90/1258510390.db2.gz YMTMFHLTCGDNSQ-KSZLIROESA-N 2 2 371.485 0.983 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)CC[C@@H]3C2)CC1 ZINC001088212010 1258734177 /nfs/dbraw/zinc/73/41/77/1258734177.db2.gz KILXVMJQSPZXRY-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)CC[C@@H]3C2)CC1 ZINC001088212010 1258734184 /nfs/dbraw/zinc/73/41/84/1258734184.db2.gz KILXVMJQSPZXRY-MSOLQXFVSA-N 2 2 370.501 0.441 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219710 1258740475 /nfs/dbraw/zinc/74/04/75/1258740475.db2.gz RFGDMSDTEYGVAC-IXDOHACOSA-N 2 2 357.458 0.450 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219710 1258740480 /nfs/dbraw/zinc/74/04/80/1258740480.db2.gz RFGDMSDTEYGVAC-IXDOHACOSA-N 2 2 357.458 0.450 20 30 FCEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945358 1258766701 /nfs/dbraw/zinc/76/67/01/1258766701.db2.gz ODPHSTHNGCKOFM-KZNAEPCWSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945358 1258766706 /nfs/dbraw/zinc/76/67/06/1258766706.db2.gz ODPHSTHNGCKOFM-KZNAEPCWSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945358 1258766712 /nfs/dbraw/zinc/76/67/12/1258766712.db2.gz ODPHSTHNGCKOFM-KZNAEPCWSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945358 1258766717 /nfs/dbraw/zinc/76/67/17/1258766717.db2.gz ODPHSTHNGCKOFM-KZNAEPCWSA-N 2 2 363.502 0.716 20 30 FCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011768 1259016523 /nfs/dbraw/zinc/01/65/23/1259016523.db2.gz QTNGFKGLDBDARM-QRQLOZEOSA-N 2 2 365.518 0.984 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107045031 1259023650 /nfs/dbraw/zinc/02/36/50/1259023650.db2.gz VOKZGIGKSNTWGI-SZVBFZGTSA-N 2 2 371.485 0.118 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064480 1259304171 /nfs/dbraw/zinc/30/41/71/1259304171.db2.gz HFZMWRGRIJTZBS-IKGGRYGDSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064480 1259304177 /nfs/dbraw/zinc/30/41/77/1259304177.db2.gz HFZMWRGRIJTZBS-IKGGRYGDSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064480 1259304188 /nfs/dbraw/zinc/30/41/88/1259304188.db2.gz HFZMWRGRIJTZBS-IKGGRYGDSA-N 2 2 362.478 0.307 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064480 1259304191 /nfs/dbraw/zinc/30/41/91/1259304191.db2.gz HFZMWRGRIJTZBS-IKGGRYGDSA-N 2 2 362.478 0.307 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130249287 1259375217 /nfs/dbraw/zinc/37/52/17/1259375217.db2.gz VTMZHIHYXCXXEC-GJZGRUSLSA-N 2 2 360.462 0.002 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130249287 1259375219 /nfs/dbraw/zinc/37/52/19/1259375219.db2.gz VTMZHIHYXCXXEC-GJZGRUSLSA-N 2 2 360.462 0.002 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463230 1259516614 /nfs/dbraw/zinc/51/66/14/1259516614.db2.gz XUYXPGWIHQEWCO-BRWVUGGUSA-N 2 2 366.506 0.343 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463230 1259516617 /nfs/dbraw/zinc/51/66/17/1259516617.db2.gz XUYXPGWIHQEWCO-BRWVUGGUSA-N 2 2 366.506 0.343 20 30 FCEDLP C=CCOC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717232 1259669340 /nfs/dbraw/zinc/66/93/40/1259669340.db2.gz WBNKXLKSSHGVHT-DLBZAZTESA-N 2 2 372.517 0.884 20 30 FCEDLP C=CCOC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246717232 1259669349 /nfs/dbraw/zinc/66/93/49/1259669349.db2.gz WBNKXLKSSHGVHT-DLBZAZTESA-N 2 2 372.517 0.884 20 30 FCEDLP C[NH+]1CCN(c2ccc(NC[C@H](O)C[NH+]3CCOCC3)cc2C#N)CC1 ZINC001251026542 1259733014 /nfs/dbraw/zinc/73/30/14/1259733014.db2.gz HVOURCOMHQXZSD-SFHVURJKSA-N 2 2 359.474 0.415 20 30 FCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001251843621 1259766583 /nfs/dbraw/zinc/76/65/83/1259766583.db2.gz KWFLPHCXGRCLMO-QGZVFWFLSA-N 2 2 360.458 0.056 20 30 FCEDLP C#CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001251843621 1259766587 /nfs/dbraw/zinc/76/65/87/1259766587.db2.gz KWFLPHCXGRCLMO-QGZVFWFLSA-N 2 2 360.458 0.056 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001268320246 1260425028 /nfs/dbraw/zinc/42/50/28/1260425028.db2.gz FWZUZLAUWQXPRV-GVDBMIGSSA-N 2 2 353.426 0.662 20 30 FCEDLP N#CC1(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c[nH+]ccc2N)CCOCC1 ZINC001279616196 1260899457 /nfs/dbraw/zinc/89/94/57/1260899457.db2.gz AUSOGVNFDLIVKK-IRXDYDNUSA-N 2 2 355.442 0.990 20 30 FCEDLP N#CC1(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c[nH+]ccc2N)CCOCC1 ZINC001279616196 1260899465 /nfs/dbraw/zinc/89/94/65/1260899465.db2.gz AUSOGVNFDLIVKK-IRXDYDNUSA-N 2 2 355.442 0.990 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001574707596 1271498236 /nfs/dbraw/zinc/49/82/36/1271498236.db2.gz WVJZSYNOYBZSGW-FJIDUMEYSA-N 2 2 372.517 0.789 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3[NH2+]2)CC1 ZINC001574706902 1271498652 /nfs/dbraw/zinc/49/86/52/1271498652.db2.gz JIQWYFQWROFXHB-ULQDDVLXSA-N 2 2 372.517 0.708 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001574967147 1271686120 /nfs/dbraw/zinc/68/61/20/1271686120.db2.gz MYSCCWSWTSBFHU-RDJZCZTQSA-N 2 2 358.490 0.724 20 30 FCEDLP C=CC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001575104539 1271721425 /nfs/dbraw/zinc/72/14/25/1271721425.db2.gz RYAYIFNWVSSXNB-UHFFFAOYSA-N 2 2 362.478 0.506 20 30 FCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001692267529 1289439274 /nfs/dbraw/zinc/43/92/74/1289439274.db2.gz MZRYKLBONHNSCX-KURKYZTESA-N 2 2 356.470 0.876 20 30 FCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001692267529 1289439278 /nfs/dbraw/zinc/43/92/78/1289439278.db2.gz MZRYKLBONHNSCX-KURKYZTESA-N 2 2 356.470 0.876 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130809094 849047045 /nfs/dbraw/zinc/04/70/45/849047045.db2.gz GWQCAJJOWYKQCA-MELADBBJSA-N 2 2 350.467 0.757 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835087 857756074 /nfs/dbraw/zinc/75/60/74/857756074.db2.gz FLBNFZZXFYGPOY-FUHWJXTLSA-N 2 2 352.475 0.737 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835087 857756081 /nfs/dbraw/zinc/75/60/81/857756081.db2.gz FLBNFZZXFYGPOY-FUHWJXTLSA-N 2 2 352.475 0.737 20 30 FCEDLP CN(C)S(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291380556 214030984 /nfs/dbraw/zinc/03/09/84/214030984.db2.gz AXRLQNYYAOMGEC-UHFFFAOYSA-N 2 2 365.503 0.508 20 30 FCEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000369271012 216374970 /nfs/dbraw/zinc/37/49/70/216374970.db2.gz NVBSWPKWKJWPDU-UHFFFAOYSA-N 2 2 358.442 0.656 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419860319 246330894 /nfs/dbraw/zinc/33/08/94/246330894.db2.gz ALFAZKWICUBJNX-MSOLQXFVSA-N 2 2 369.469 0.589 20 30 FCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000103492591 208178582 /nfs/dbraw/zinc/17/85/82/208178582.db2.gz LRMFGMPBAOCSBP-GOSISDBHSA-N 2 2 374.485 0.784 20 30 FCEDLP O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000262441840 229306957 /nfs/dbraw/zinc/30/69/57/229306957.db2.gz USIKLQRHTWXWLG-ZBFHGGJFSA-N 2 2 352.504 0.475 20 30 FCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000043999452 487908285 /nfs/dbraw/zinc/90/82/85/487908285.db2.gz ZWEDHOBHGGBSTJ-INIZCTEOSA-N 2 2 356.474 0.628 20 30 FCEDLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329426387 489003365 /nfs/dbraw/zinc/00/33/65/489003365.db2.gz GNPJQBSAWGHDST-KZNAEPCWSA-N 2 2 367.538 0.721 20 30 FCEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000329479406 489008622 /nfs/dbraw/zinc/00/86/22/489008622.db2.gz QLZAHUWSSVMRQR-XWTMOSNGSA-N 2 2 367.538 0.720 20 30 FCEDLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000329479406 489008624 /nfs/dbraw/zinc/00/86/24/489008624.db2.gz QLZAHUWSSVMRQR-XWTMOSNGSA-N 2 2 367.538 0.720 20 30 FCEDLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000329479406 489008628 /nfs/dbraw/zinc/00/86/28/489008628.db2.gz QLZAHUWSSVMRQR-XWTMOSNGSA-N 2 2 367.538 0.720 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000329630102 489022216 /nfs/dbraw/zinc/02/22/16/489022216.db2.gz VILNHBWNOSQZEO-LVQVYYBASA-N 2 2 354.495 0.803 20 30 FCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000329630102 489022219 /nfs/dbraw/zinc/02/22/19/489022219.db2.gz VILNHBWNOSQZEO-LVQVYYBASA-N 2 2 354.495 0.803 20 30 FCEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC1CC[NH+](C)CC1 ZINC000329954163 489054131 /nfs/dbraw/zinc/05/41/31/489054131.db2.gz OFSVGQZSSFRWIK-ZFWWWQNUSA-N 2 2 352.458 0.930 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000329961836 489055210 /nfs/dbraw/zinc/05/52/10/489055210.db2.gz SJZSROIOELOVLB-ZWKOTPCHSA-N 2 2 359.474 0.975 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000329961836 489055212 /nfs/dbraw/zinc/05/52/12/489055212.db2.gz SJZSROIOELOVLB-ZWKOTPCHSA-N 2 2 359.474 0.975 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330035096 489062988 /nfs/dbraw/zinc/06/29/88/489062988.db2.gz XAVIZFVEKCOOCP-IRXDYDNUSA-N 2 2 362.478 0.977 20 30 FCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330035096 489062991 /nfs/dbraw/zinc/06/29/91/489062991.db2.gz XAVIZFVEKCOOCP-IRXDYDNUSA-N 2 2 362.478 0.977 20 30 FCEDLP C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000330097324 489069289 /nfs/dbraw/zinc/06/92/89/489069289.db2.gz AQNJODRNQNIZDR-OAHLLOKOSA-N 2 2 374.489 0.898 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330203014 489079975 /nfs/dbraw/zinc/07/99/75/489079975.db2.gz AKZVEOGOGHTFMS-CVEARBPZSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330203014 489079977 /nfs/dbraw/zinc/07/99/77/489079977.db2.gz AKZVEOGOGHTFMS-CVEARBPZSA-N 2 2 354.495 0.806 20 30 FCEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330218874 489081499 /nfs/dbraw/zinc/08/14/99/489081499.db2.gz JTAMMDQRRJZNKO-CQSZACIVSA-N 2 2 354.499 0.468 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374802527 489706093 /nfs/dbraw/zinc/70/60/93/489706093.db2.gz WIHHMVVMPVHIEB-QGZVFWFLSA-N 2 2 353.507 0.959 20 30 FCEDLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420001790 489877914 /nfs/dbraw/zinc/87/79/14/489877914.db2.gz RWZPOYIPUPXTOT-QGZVFWFLSA-N 2 2 357.458 0.302 20 30 FCEDLP CN(c1cncc(C#N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000420593306 490000128 /nfs/dbraw/zinc/00/01/28/490000128.db2.gz BJVFNHWLNCGHFH-UHFFFAOYSA-N 2 2 357.462 0.023 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000573031556 491408396 /nfs/dbraw/zinc/40/83/96/491408396.db2.gz JXLKIFSUYHPIPJ-UHFFFAOYSA-N 2 2 356.536 0.506 20 30 FCEDLP C=CCSCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573031556 491408397 /nfs/dbraw/zinc/40/83/97/491408397.db2.gz JXLKIFSUYHPIPJ-UHFFFAOYSA-N 2 2 356.536 0.506 20 30 FCEDLP O=C1CCCN1[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000580459507 491732269 /nfs/dbraw/zinc/73/22/69/491732269.db2.gz VHZMMWKLFJRATJ-QZTJIDSGSA-N 2 2 358.486 0.383 20 30 FCEDLP O=C1CCCN1[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000580459507 491732271 /nfs/dbraw/zinc/73/22/71/491732271.db2.gz VHZMMWKLFJRATJ-QZTJIDSGSA-N 2 2 358.486 0.383 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1 ZINC000602033052 491957869 /nfs/dbraw/zinc/95/78/69/491957869.db2.gz DVEJMSAMCYXAOD-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cc(F)cc(C#N)c3)C2)CC1 ZINC000602033052 491957871 /nfs/dbraw/zinc/95/78/71/491957871.db2.gz DVEJMSAMCYXAOD-HNNXBMFYSA-N 2 2 373.432 0.921 20 30 FCEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602591682 491993500 /nfs/dbraw/zinc/99/35/00/491993500.db2.gz BREOUFNDTVZPMA-SJORKVTESA-N 2 2 364.490 0.608 20 30 FCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000618966654 492245085 /nfs/dbraw/zinc/24/50/85/492245085.db2.gz QBVNNLULKQQJDP-UHFFFAOYSA-N 2 2 367.457 0.722 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626158037 492939099 /nfs/dbraw/zinc/93/90/99/492939099.db2.gz HUYGPMQDJUNUPF-WOJBJXKFSA-N 2 2 362.518 0.971 20 30 FCEDLP CC(=O)NC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626158037 492939101 /nfs/dbraw/zinc/93/91/01/492939101.db2.gz HUYGPMQDJUNUPF-WOJBJXKFSA-N 2 2 362.518 0.971 20 30 FCEDLP C[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C[N@@H+]1C1CC1 ZINC000262417153 533897443 /nfs/dbraw/zinc/89/74/43/533897443.db2.gz QJPFVMUBMRXUMB-NFAWXSAZSA-N 2 2 354.520 0.744 20 30 FCEDLP C[C@@H]1C[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C[N@H+]1C1CC1 ZINC000262417153 533897457 /nfs/dbraw/zinc/89/74/57/533897457.db2.gz QJPFVMUBMRXUMB-NFAWXSAZSA-N 2 2 354.520 0.744 20 30 FCEDLP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262005831 526356198 /nfs/dbraw/zinc/35/61/98/526356198.db2.gz VOCHDEYDHYJTMC-CABCVRRESA-N 2 2 368.507 0.377 20 30 FCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261694195 528807611 /nfs/dbraw/zinc/80/76/11/528807611.db2.gz FKMBGVOFUSGGFN-QGZVFWFLSA-N 2 2 361.450 0.159 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261626256 528810926 /nfs/dbraw/zinc/81/09/26/528810926.db2.gz BWGKDLIZNHXTPP-JKSUJKDBSA-N 2 2 372.535 0.041 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114006420 528810998 /nfs/dbraw/zinc/81/09/98/528810998.db2.gz WIHSJOOAEAUZCD-OAHLLOKOSA-N 2 2 363.462 0.334 20 30 FCEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114006420 528811000 /nfs/dbraw/zinc/81/10/00/528811000.db2.gz WIHSJOOAEAUZCD-OAHLLOKOSA-N 2 2 363.462 0.334 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000969425690 663169729 /nfs/dbraw/zinc/16/97/29/663169729.db2.gz AOHCXCVQYVKSFZ-OAGGEKHMSA-N 2 2 357.882 0.809 20 30 FCEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042909 676113352 /nfs/dbraw/zinc/11/33/52/676113352.db2.gz KCKQPPGBCBHORM-KZNAEPCWSA-N 2 2 350.507 0.500 20 30 FCEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042909 676113356 /nfs/dbraw/zinc/11/33/56/676113356.db2.gz KCKQPPGBCBHORM-KZNAEPCWSA-N 2 2 350.507 0.500 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167270831 1168482376 /nfs/dbraw/zinc/48/23/76/1168482376.db2.gz AIAIMSQHVRFFEQ-HUUCEWRRSA-N 2 2 359.474 0.702 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367158 1170649115 /nfs/dbraw/zinc/64/91/15/1170649115.db2.gz JJEGQLPSPMKGOS-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC000972604659 1179944766 /nfs/dbraw/zinc/94/47/66/1179944766.db2.gz HJKAELWNQNFPFR-SJLPKXTDSA-N 2 2 369.469 0.357 20 30 FCEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001112522156 1181268797 /nfs/dbraw/zinc/26/87/97/1181268797.db2.gz IFZPNFCYZBDKCE-QRFRQXIXSA-N 2 2 371.485 0.699 20 30 FCEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001112522156 1181268809 /nfs/dbraw/zinc/26/88/09/1181268809.db2.gz IFZPNFCYZBDKCE-QRFRQXIXSA-N 2 2 371.485 0.699 20 30 FCEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572913 1181347379 /nfs/dbraw/zinc/34/73/79/1181347379.db2.gz WGBIAUSJMPQNOS-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572913 1181347389 /nfs/dbraw/zinc/34/73/89/1181347389.db2.gz WGBIAUSJMPQNOS-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908968 1182989962 /nfs/dbraw/zinc/98/99/62/1182989962.db2.gz QVLFZMKHBDNXEG-OWCLPIDISA-N 2 2 359.474 0.175 20 30 FCEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001276763995 1224131214 /nfs/dbraw/zinc/13/12/14/1224131214.db2.gz SUHYWVOELUAVSD-IBGZPJMESA-N 2 2 361.490 0.521 20 30 FCEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CC1 ZINC001276763995 1224131215 /nfs/dbraw/zinc/13/12/15/1224131215.db2.gz SUHYWVOELUAVSD-IBGZPJMESA-N 2 2 361.490 0.521 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218118550 1224141350 /nfs/dbraw/zinc/14/13/50/1224141350.db2.gz ZJZVMXBFHZFSOG-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218118550 1224141351 /nfs/dbraw/zinc/14/13/51/1224141351.db2.gz ZJZVMXBFHZFSOG-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218118550 1224141354 /nfs/dbraw/zinc/14/13/54/1224141354.db2.gz ZJZVMXBFHZFSOG-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218118550 1224141357 /nfs/dbraw/zinc/14/13/57/1224141357.db2.gz ZJZVMXBFHZFSOG-HYVNUMGLSA-N 2 2 364.490 0.073 20 30 FCEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666429 1193891455 /nfs/dbraw/zinc/89/14/55/1193891455.db2.gz FNDXLOCMPMOPLC-LFGUQSLTSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083535996 1194226846 /nfs/dbraw/zinc/22/68/46/1194226846.db2.gz YKLJLMMVIWKYIX-AABGKKOBSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083535996 1194226848 /nfs/dbraw/zinc/22/68/48/1194226848.db2.gz YKLJLMMVIWKYIX-AABGKKOBSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083535996 1194226851 /nfs/dbraw/zinc/22/68/51/1194226851.db2.gz YKLJLMMVIWKYIX-AABGKKOBSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083535996 1194226853 /nfs/dbraw/zinc/22/68/53/1194226853.db2.gz YKLJLMMVIWKYIX-AABGKKOBSA-N 2 2 366.465 0.927 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515526 1194530266 /nfs/dbraw/zinc/53/02/66/1194530266.db2.gz DHEFRJAVHRXELA-RYQLBKOJSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515526 1194530268 /nfs/dbraw/zinc/53/02/68/1194530268.db2.gz DHEFRJAVHRXELA-RYQLBKOJSA-N 2 2 371.485 0.672 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001076604418 1194593012 /nfs/dbraw/zinc/59/30/12/1194593012.db2.gz DRSUPJFEGHCYJY-PKOBYXMFSA-N 2 2 355.486 0.798 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001076604418 1194593014 /nfs/dbraw/zinc/59/30/14/1194593014.db2.gz DRSUPJFEGHCYJY-PKOBYXMFSA-N 2 2 355.486 0.798 20 30 FCEDLP C=CCN1c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2C2(CCOCC2)C1=O ZINC001218837647 1224235270 /nfs/dbraw/zinc/23/52/70/1224235270.db2.gz GIFBFMXGOKDSET-HNNXBMFYSA-N 2 2 358.442 0.882 20 30 FCEDLP C=CCN1c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)cc2C2(CCOCC2)C1=O ZINC001218837659 1224235443 /nfs/dbraw/zinc/23/54/43/1224235443.db2.gz GTADVNVSENEBNU-BBRMVZONSA-N 2 2 370.453 0.895 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077158533 1195279555 /nfs/dbraw/zinc/27/95/55/1195279555.db2.gz KQERHGYPZBLHFY-YZGWKJHDSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077158533 1195279558 /nfs/dbraw/zinc/27/95/58/1195279558.db2.gz KQERHGYPZBLHFY-YZGWKJHDSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077158533 1195279564 /nfs/dbraw/zinc/27/95/64/1195279564.db2.gz KQERHGYPZBLHFY-YZGWKJHDSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077158533 1195279570 /nfs/dbraw/zinc/27/95/70/1195279570.db2.gz KQERHGYPZBLHFY-YZGWKJHDSA-N 2 2 370.497 0.512 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318804 1197864441 /nfs/dbraw/zinc/86/44/41/1197864441.db2.gz NOGXEHZZIAVYEQ-IIAWOOMASA-N 2 2 367.453 0.999 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342939 1197871326 /nfs/dbraw/zinc/87/13/26/1197871326.db2.gz JTMJDHYDFMCGKP-BZUAXINKSA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001086392370 1198345190 /nfs/dbraw/zinc/34/51/90/1198345190.db2.gz KNVMRQYLUKDTFH-QCODTGAPSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001086392370 1198345205 /nfs/dbraw/zinc/34/52/05/1198345205.db2.gz KNVMRQYLUKDTFH-QCODTGAPSA-N 2 2 357.458 0.785 20 30 FCEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219799900 1224619152 /nfs/dbraw/zinc/61/91/52/1224619152.db2.gz BTNBKNAVYXYKFG-KURKYZTESA-N 2 2 363.506 0.721 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219799900 1224619161 /nfs/dbraw/zinc/61/91/61/1224619161.db2.gz BTNBKNAVYXYKFG-KURKYZTESA-N 2 2 363.506 0.721 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570446 1200802865 /nfs/dbraw/zinc/80/28/65/1200802865.db2.gz YATHGWFKWMJDDA-KXBFYZLASA-N 2 2 359.474 0.781 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461188 1201328161 /nfs/dbraw/zinc/32/81/61/1201328161.db2.gz QFMHIGDFIGWQFH-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461188 1201328166 /nfs/dbraw/zinc/32/81/66/1201328166.db2.gz QFMHIGDFIGWQFH-QYZOEREBSA-N 2 2 366.469 0.946 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001219874746 1224666630 /nfs/dbraw/zinc/66/66/30/1224666630.db2.gz FCSYWVFRZYDVST-ZACQAIPSSA-N 2 2 360.458 0.568 20 30 FCEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]1O)[NH+](C)C ZINC001219874746 1224666634 /nfs/dbraw/zinc/66/66/34/1224666634.db2.gz FCSYWVFRZYDVST-ZACQAIPSSA-N 2 2 360.458 0.568 20 30 FCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1n1ccnn1 ZINC001129907166 1201421802 /nfs/dbraw/zinc/42/18/02/1201421802.db2.gz URSHJNKUJKNCOF-CVEARBPZSA-N 2 2 356.430 0.842 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918545 1201440656 /nfs/dbraw/zinc/44/06/56/1201440656.db2.gz CQKSYZXMELUHSL-UAGQMJEPSA-N 2 2 353.430 0.102 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000915 1201467456 /nfs/dbraw/zinc/46/74/56/1201467456.db2.gz WCBSNSIUBPKHKN-IMJJTQAJSA-N 2 2 353.430 0.486 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130617245 1202737353 /nfs/dbraw/zinc/73/73/53/1202737353.db2.gz WHLYUFFRCXBWMX-SOLBZPMBSA-N 2 2 366.469 0.787 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313600 1202888109 /nfs/dbraw/zinc/88/81/09/1202888109.db2.gz XGRZSJHNVQXOOA-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313600 1202888110 /nfs/dbraw/zinc/88/81/10/1202888110.db2.gz XGRZSJHNVQXOOA-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048792 1203148395 /nfs/dbraw/zinc/14/83/95/1203148395.db2.gz BSKUWRJCHBUNDD-NXDJFEHLSA-N 2 2 358.442 0.595 20 30 FCEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048792 1203148400 /nfs/dbraw/zinc/14/84/00/1203148400.db2.gz BSKUWRJCHBUNDD-NXDJFEHLSA-N 2 2 358.442 0.595 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358066 1224842798 /nfs/dbraw/zinc/84/27/98/1224842798.db2.gz XMOIXBSEEVUEAR-SJORKVTESA-N 2 2 364.446 0.248 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358066 1224842804 /nfs/dbraw/zinc/84/28/04/1224842804.db2.gz XMOIXBSEEVUEAR-SJORKVTESA-N 2 2 364.446 0.248 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091748224 1204841251 /nfs/dbraw/zinc/84/12/51/1204841251.db2.gz GONFGYZXVRCTKV-AYBZRNKSSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091748224 1204841254 /nfs/dbraw/zinc/84/12/54/1204841254.db2.gz GONFGYZXVRCTKV-AYBZRNKSSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091748224 1204841256 /nfs/dbraw/zinc/84/12/56/1204841256.db2.gz GONFGYZXVRCTKV-AYBZRNKSSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091748224 1204841257 /nfs/dbraw/zinc/84/12/57/1204841257.db2.gz GONFGYZXVRCTKV-AYBZRNKSSA-N 2 2 356.474 0.193 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232495 1205205130 /nfs/dbraw/zinc/20/51/30/1205205130.db2.gz OMIGJHZOWPJYGG-SYNHAJSKSA-N 2 2 371.485 0.828 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232495 1205205134 /nfs/dbraw/zinc/20/51/34/1205205134.db2.gz OMIGJHZOWPJYGG-SYNHAJSKSA-N 2 2 371.485 0.828 20 30 FCEDLP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357309 1206303976 /nfs/dbraw/zinc/30/39/76/1206303976.db2.gz GSBJWJQSVAIZJX-RBSFLKMASA-N 2 2 360.462 0.428 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183402049 1206452719 /nfs/dbraw/zinc/45/27/19/1206452719.db2.gz DOVOWDRMXCPHBC-BZUAXINKSA-N 2 2 357.458 0.904 20 30 FCEDLP N#CC1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643690 1224982199 /nfs/dbraw/zinc/98/21/99/1224982199.db2.gz OZYZHQRZWRNHCN-FXAWDEMLSA-N 3 2 353.470 0.612 20 30 FCEDLP N#CC1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC001220643691 1224982854 /nfs/dbraw/zinc/98/28/54/1224982854.db2.gz OZYZHQRZWRNHCN-PXNSSMCTSA-N 3 2 353.470 0.612 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312857 1207531882 /nfs/dbraw/zinc/53/18/82/1207531882.db2.gz XUPHVJHFNHIKGC-OKZBNKHCSA-N 2 2 360.502 0.533 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312857 1207531890 /nfs/dbraw/zinc/53/18/90/1207531890.db2.gz XUPHVJHFNHIKGC-OKZBNKHCSA-N 2 2 360.502 0.533 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189433592 1207550506 /nfs/dbraw/zinc/55/05/06/1207550506.db2.gz RBCIVQYORKBWBL-JKSUJKDBSA-N 2 2 358.446 0.144 20 30 FCEDLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189433592 1207550514 /nfs/dbraw/zinc/55/05/14/1207550514.db2.gz RBCIVQYORKBWBL-JKSUJKDBSA-N 2 2 358.446 0.144 20 30 FCEDLP C#CCC[NH+]1CCN(c2nc(C)nc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000775467624 1207804367 /nfs/dbraw/zinc/80/43/67/1207804367.db2.gz HCTBAQKZYLWFRG-UHFFFAOYSA-N 2 2 367.501 0.471 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197688879 1208186152 /nfs/dbraw/zinc/18/61/52/1208186152.db2.gz BAKLYLVFXGTKSV-IAGOWNOFSA-N 2 2 368.522 0.352 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197688879 1208186155 /nfs/dbraw/zinc/18/61/55/1208186155.db2.gz BAKLYLVFXGTKSV-IAGOWNOFSA-N 2 2 368.522 0.352 20 30 FCEDLP C#C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCO1 ZINC000775786529 1208193576 /nfs/dbraw/zinc/19/35/76/1208193576.db2.gz XVRXVHKKDSSSMW-ZWKOTPCHSA-N 2 2 363.502 0.908 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657975 1209575184 /nfs/dbraw/zinc/57/51/84/1209575184.db2.gz HBYAGUNOOKBAHE-TVFCKZIOSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657975 1209575192 /nfs/dbraw/zinc/57/51/92/1209575192.db2.gz HBYAGUNOOKBAHE-TVFCKZIOSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657975 1209575197 /nfs/dbraw/zinc/57/51/97/1209575197.db2.gz HBYAGUNOOKBAHE-TVFCKZIOSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657975 1209575203 /nfs/dbraw/zinc/57/52/03/1209575203.db2.gz HBYAGUNOOKBAHE-TVFCKZIOSA-N 2 2 360.502 0.435 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748606 1209793924 /nfs/dbraw/zinc/79/39/24/1209793924.db2.gz LBUGOUKTFUCQJV-OLMNPRSZSA-N 2 2 365.437 0.727 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748606 1209793926 /nfs/dbraw/zinc/79/39/26/1209793926.db2.gz LBUGOUKTFUCQJV-OLMNPRSZSA-N 2 2 365.437 0.727 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552262 1210647807 /nfs/dbraw/zinc/64/78/07/1210647807.db2.gz KOGIYSVXLQMWPR-NUEKZKHPSA-N 2 2 357.458 0.242 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206506 1210722167 /nfs/dbraw/zinc/72/21/67/1210722167.db2.gz XANGSEUYVBCFPI-BBWFWOEESA-N 2 2 366.506 0.450 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206506 1210722173 /nfs/dbraw/zinc/72/21/73/1210722173.db2.gz XANGSEUYVBCFPI-BBWFWOEESA-N 2 2 366.506 0.450 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446867 1225315685 /nfs/dbraw/zinc/31/56/85/1225315685.db2.gz XNWMXCLRTNTAIU-IXDOHACOSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446867 1225315690 /nfs/dbraw/zinc/31/56/90/1225315690.db2.gz XNWMXCLRTNTAIU-IXDOHACOSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221446867 1225315695 /nfs/dbraw/zinc/31/56/95/1225315695.db2.gz XNWMXCLRTNTAIU-IXDOHACOSA-N 2 2 361.490 0.375 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221446867 1225315702 /nfs/dbraw/zinc/31/57/02/1225315702.db2.gz XNWMXCLRTNTAIU-IXDOHACOSA-N 2 2 361.490 0.375 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028044 1211802206 /nfs/dbraw/zinc/80/22/06/1211802206.db2.gz FPJYLQUQVXUZHE-VQHPVUNQSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028044 1211802207 /nfs/dbraw/zinc/80/22/07/1211802207.db2.gz FPJYLQUQVXUZHE-VQHPVUNQSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111028044 1211802208 /nfs/dbraw/zinc/80/22/08/1211802208.db2.gz FPJYLQUQVXUZHE-VQHPVUNQSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111028044 1211802211 /nfs/dbraw/zinc/80/22/11/1211802211.db2.gz FPJYLQUQVXUZHE-VQHPVUNQSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001006728042 1212332827 /nfs/dbraw/zinc/33/28/27/1212332827.db2.gz KWMSZGLJTIKBOS-KURKYZTESA-N 2 2 369.469 0.546 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222017899 1225576855 /nfs/dbraw/zinc/57/68/55/1225576855.db2.gz BAPIZSHJKMNXCT-QZTJIDSGSA-N 2 2 360.502 0.816 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222017899 1225576860 /nfs/dbraw/zinc/57/68/60/1225576860.db2.gz BAPIZSHJKMNXCT-QZTJIDSGSA-N 2 2 360.502 0.816 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222892021 1225663216 /nfs/dbraw/zinc/66/32/16/1225663216.db2.gz KSPGDHHRSKXYQU-PMPSAXMXSA-N 2 2 370.457 0.323 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222892021 1225663218 /nfs/dbraw/zinc/66/32/18/1225663218.db2.gz KSPGDHHRSKXYQU-PMPSAXMXSA-N 2 2 370.457 0.323 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115841 1225682842 /nfs/dbraw/zinc/68/28/42/1225682842.db2.gz MJKOEAPAVOXVJV-PBHICJAKSA-N 2 2 366.425 0.510 20 30 FCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115841 1225682845 /nfs/dbraw/zinc/68/28/45/1225682845.db2.gz MJKOEAPAVOXVJV-PBHICJAKSA-N 2 2 366.425 0.510 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963679 1216871230 /nfs/dbraw/zinc/87/12/30/1216871230.db2.gz OGBSNWRZDDPQBS-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963679 1216871232 /nfs/dbraw/zinc/87/12/32/1216871232.db2.gz OGBSNWRZDDPQBS-XHSDSOJGSA-N 2 2 355.446 0.655 20 30 FCEDLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223737639 1225731348 /nfs/dbraw/zinc/73/13/48/1225731348.db2.gz RZYFIISBPLCQPT-SJORKVTESA-N 2 2 361.490 0.281 20 30 FCEDLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223737639 1225731352 /nfs/dbraw/zinc/73/13/52/1225731352.db2.gz RZYFIISBPLCQPT-SJORKVTESA-N 2 2 361.490 0.281 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037045 1225753126 /nfs/dbraw/zinc/75/31/26/1225753126.db2.gz PDBAVFPUULDNHM-WBVHZDCISA-N 2 2 359.474 0.578 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037045 1225753131 /nfs/dbraw/zinc/75/31/31/1225753131.db2.gz PDBAVFPUULDNHM-WBVHZDCISA-N 2 2 359.474 0.578 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019697 1225861156 /nfs/dbraw/zinc/86/11/56/1225861156.db2.gz YJAWQYLMDFEHQQ-HZPDHXFCSA-N 2 2 359.474 0.693 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227165706 1225865233 /nfs/dbraw/zinc/86/52/33/1225865233.db2.gz PPPVEYKEGQBJTR-FVQBIDKESA-N 2 2 358.446 0.102 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227165293 1225865307 /nfs/dbraw/zinc/86/53/07/1225865307.db2.gz LOYMXHHHAZIPLG-BZUAXINKSA-N 2 2 357.458 0.212 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227166249 1225865472 /nfs/dbraw/zinc/86/54/72/1225865472.db2.gz VPZNBEXLGSLQPX-ARFHVFGLSA-N 2 2 371.485 0.589 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227166249 1225865476 /nfs/dbraw/zinc/86/54/76/1225865476.db2.gz VPZNBEXLGSLQPX-ARFHVFGLSA-N 2 2 371.485 0.589 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227165301 1225865538 /nfs/dbraw/zinc/86/55/38/1225865538.db2.gz LPDHUWJNBWUIQF-USXIJHARSA-N 2 2 359.474 0.765 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506527 1219444165 /nfs/dbraw/zinc/44/41/65/1219444165.db2.gz FTKYSQSGAUYVTN-UWWQBHOKSA-N 2 2 354.458 0.949 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070567985 1219473316 /nfs/dbraw/zinc/47/33/16/1219473316.db2.gz SIUGQDJYGLKZRB-UHOSZYNNSA-N 2 2 366.469 0.635 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913294 1219565743 /nfs/dbraw/zinc/56/57/43/1219565743.db2.gz HKIVMFOXPPSGRH-ZACQAIPSSA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913294 1219565747 /nfs/dbraw/zinc/56/57/47/1219565747.db2.gz HKIVMFOXPPSGRH-ZACQAIPSSA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913294 1219565750 /nfs/dbraw/zinc/56/57/50/1219565750.db2.gz HKIVMFOXPPSGRH-ZACQAIPSSA-N 2 2 362.474 0.763 20 30 FCEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913294 1219565756 /nfs/dbraw/zinc/56/57/56/1219565756.db2.gz HKIVMFOXPPSGRH-ZACQAIPSSA-N 2 2 362.474 0.763 20 30 FCEDLP COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398096 1219773402 /nfs/dbraw/zinc/77/34/02/1219773402.db2.gz IPANYDYBJWJLQN-IAGOWNOFSA-N 2 2 360.458 0.448 20 30 FCEDLP COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398096 1219773408 /nfs/dbraw/zinc/77/34/08/1219773408.db2.gz IPANYDYBJWJLQN-IAGOWNOFSA-N 2 2 360.458 0.448 20 30 FCEDLP COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398096 1219773411 /nfs/dbraw/zinc/77/34/11/1219773411.db2.gz IPANYDYBJWJLQN-IAGOWNOFSA-N 2 2 360.458 0.448 20 30 FCEDLP COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398096 1219773418 /nfs/dbraw/zinc/77/34/18/1219773418.db2.gz IPANYDYBJWJLQN-IAGOWNOFSA-N 2 2 360.458 0.448 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CC1 ZINC001098462901 1219787838 /nfs/dbraw/zinc/78/78/38/1219787838.db2.gz ULFCENPCCGWPRP-KURKYZTESA-N 2 2 358.486 0.332 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CC1 ZINC001098462901 1219787841 /nfs/dbraw/zinc/78/78/41/1219787841.db2.gz ULFCENPCCGWPRP-KURKYZTESA-N 2 2 358.486 0.332 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465512 1219899195 /nfs/dbraw/zinc/89/91/95/1219899195.db2.gz YWDCRNUXXPCKJM-KFWWJZLASA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465512 1219899200 /nfs/dbraw/zinc/89/92/00/1219899200.db2.gz YWDCRNUXXPCKJM-KFWWJZLASA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465512 1219899202 /nfs/dbraw/zinc/89/92/02/1219899202.db2.gz YWDCRNUXXPCKJM-KFWWJZLASA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465512 1219899204 /nfs/dbraw/zinc/89/92/04/1219899204.db2.gz YWDCRNUXXPCKJM-KFWWJZLASA-N 2 2 365.478 0.060 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228669542 1225941128 /nfs/dbraw/zinc/94/11/28/1225941128.db2.gz RRAQAHFHHFZZOU-KLHDSHLOSA-N 2 2 357.458 0.290 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101270338 1220258230 /nfs/dbraw/zinc/25/82/30/1220258230.db2.gz KXXOIECSWXFGOV-UWVAXJGDSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101270338 1220258233 /nfs/dbraw/zinc/25/82/33/1220258233.db2.gz KXXOIECSWXFGOV-UWVAXJGDSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101270338 1220258237 /nfs/dbraw/zinc/25/82/37/1220258237.db2.gz KXXOIECSWXFGOV-UWVAXJGDSA-N 2 2 360.502 0.389 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101270338 1220258238 /nfs/dbraw/zinc/25/82/38/1220258238.db2.gz KXXOIECSWXFGOV-UWVAXJGDSA-N 2 2 360.502 0.389 20 30 FCEDLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101278408 1220264193 /nfs/dbraw/zinc/26/41/93/1220264193.db2.gz HZGSZQGIQPWFFN-KUHUBIRLSA-N 2 2 366.425 0.597 20 30 FCEDLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101278408 1220264198 /nfs/dbraw/zinc/26/41/98/1220264198.db2.gz HZGSZQGIQPWFFN-KUHUBIRLSA-N 2 2 366.425 0.597 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098148 1220495085 /nfs/dbraw/zinc/49/50/85/1220495085.db2.gz VTOKQPAVMANEPF-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098148 1220495092 /nfs/dbraw/zinc/49/50/92/1220495092.db2.gz VTOKQPAVMANEPF-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@@H+]1C ZINC001102425073 1220620119 /nfs/dbraw/zinc/62/01/19/1220620119.db2.gz KDZBVWHFFGMWES-SJLPKXTDSA-N 2 2 370.501 0.874 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC001102425073 1220620122 /nfs/dbraw/zinc/62/01/22/1220620122.db2.gz KDZBVWHFFGMWES-SJLPKXTDSA-N 2 2 370.501 0.874 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC001103098771 1220833041 /nfs/dbraw/zinc/83/30/41/1220833041.db2.gz JEYJPCDVEOETJB-ZACQAIPSSA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C ZINC001103098771 1220833042 /nfs/dbraw/zinc/83/30/42/1220833042.db2.gz JEYJPCDVEOETJB-ZACQAIPSSA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1C ZINC001103098771 1220833044 /nfs/dbraw/zinc/83/30/44/1220833044.db2.gz JEYJPCDVEOETJB-ZACQAIPSSA-N 2 2 358.490 0.487 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1C ZINC001103098771 1220833045 /nfs/dbraw/zinc/83/30/45/1220833045.db2.gz JEYJPCDVEOETJB-ZACQAIPSSA-N 2 2 358.490 0.487 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224143 1220853023 /nfs/dbraw/zinc/85/30/23/1220853023.db2.gz MAFGSWQIUJFIER-HUUCEWRRSA-N 2 2 368.441 0.662 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224143 1220853024 /nfs/dbraw/zinc/85/30/24/1220853024.db2.gz MAFGSWQIUJFIER-HUUCEWRRSA-N 2 2 368.441 0.662 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001103395053 1220877371 /nfs/dbraw/zinc/87/73/71/1220877371.db2.gz UXBUTGZHOWUJRJ-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001103395053 1220877372 /nfs/dbraw/zinc/87/73/72/1220877372.db2.gz UXBUTGZHOWUJRJ-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001103395053 1220877373 /nfs/dbraw/zinc/87/73/73/1220877373.db2.gz UXBUTGZHOWUJRJ-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001103395053 1220877375 /nfs/dbraw/zinc/87/73/75/1220877375.db2.gz UXBUTGZHOWUJRJ-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425762 1220880295 /nfs/dbraw/zinc/88/02/95/1220880295.db2.gz OKXATJMAWSDGES-BZUAXINKSA-N 2 2 371.485 0.653 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425762 1220880297 /nfs/dbraw/zinc/88/02/97/1220880297.db2.gz OKXATJMAWSDGES-BZUAXINKSA-N 2 2 371.485 0.653 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000781087359 1221049234 /nfs/dbraw/zinc/04/92/34/1221049234.db2.gz KPFFLCMUAHKPKU-ROUUACIJSA-N 2 2 358.486 0.146 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000781087359 1221049237 /nfs/dbraw/zinc/04/92/37/1221049237.db2.gz KPFFLCMUAHKPKU-ROUUACIJSA-N 2 2 358.486 0.146 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000781087359 1221049240 /nfs/dbraw/zinc/04/92/40/1221049240.db2.gz KPFFLCMUAHKPKU-ROUUACIJSA-N 2 2 358.486 0.146 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000781087359 1221049244 /nfs/dbraw/zinc/04/92/44/1221049244.db2.gz KPFFLCMUAHKPKU-ROUUACIJSA-N 2 2 358.486 0.146 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001111775930 1221103265 /nfs/dbraw/zinc/10/32/65/1221103265.db2.gz HETXALFEBBNQGS-KHYOSLBOSA-N 2 2 370.457 0.371 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001111775930 1221103269 /nfs/dbraw/zinc/10/32/69/1221103269.db2.gz HETXALFEBBNQGS-KHYOSLBOSA-N 2 2 370.457 0.371 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001159924566 1223140083 /nfs/dbraw/zinc/14/00/83/1223140083.db2.gz TUBUUDSVQGADFF-HNNXBMFYSA-N 2 2 362.478 0.867 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)COCC[NH+](C)C)C1 ZINC001205211884 1223316945 /nfs/dbraw/zinc/31/69/45/1223316945.db2.gz MQGUGMWTLDVDDJ-RTBURBONSA-N 2 2 359.470 0.272 20 30 FCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)COCC[NH+](C)C)C1 ZINC001205211884 1223316949 /nfs/dbraw/zinc/31/69/49/1223316949.db2.gz MQGUGMWTLDVDDJ-RTBURBONSA-N 2 2 359.470 0.272 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2C)C1 ZINC001205217296 1223318046 /nfs/dbraw/zinc/31/80/46/1223318046.db2.gz ZVABKXYRFDBXQB-RTBURBONSA-N 2 2 352.438 0.899 20 30 FCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2C)C1 ZINC001205217296 1223318049 /nfs/dbraw/zinc/31/80/49/1223318049.db2.gz ZVABKXYRFDBXQB-RTBURBONSA-N 2 2 352.438 0.899 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207015003 1223406039 /nfs/dbraw/zinc/40/60/39/1223406039.db2.gz RHNJCLOMRUFLFE-BFYDXBDKSA-N 2 2 371.485 0.336 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207015003 1223406043 /nfs/dbraw/zinc/40/60/43/1223406043.db2.gz RHNJCLOMRUFLFE-BFYDXBDKSA-N 2 2 371.485 0.336 20 30 FCEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208597393 1223562082 /nfs/dbraw/zinc/56/20/82/1223562082.db2.gz NHPTYFHSPCSQPV-LBTNJELSSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208597393 1223562084 /nfs/dbraw/zinc/56/20/84/1223562084.db2.gz NHPTYFHSPCSQPV-LBTNJELSSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001208597393 1223562087 /nfs/dbraw/zinc/56/20/87/1223562087.db2.gz NHPTYFHSPCSQPV-LBTNJELSSA-N 2 2 367.469 0.275 20 30 FCEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001208597393 1223562089 /nfs/dbraw/zinc/56/20/89/1223562089.db2.gz NHPTYFHSPCSQPV-LBTNJELSSA-N 2 2 367.469 0.275 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210336059 1223684272 /nfs/dbraw/zinc/68/42/72/1223684272.db2.gz AAAUKODEEWLUFB-IJEWVQPXSA-N 2 2 357.458 0.336 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210336059 1223684276 /nfs/dbraw/zinc/68/42/76/1223684276.db2.gz AAAUKODEEWLUFB-IJEWVQPXSA-N 2 2 357.458 0.336 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210723941 1223705093 /nfs/dbraw/zinc/70/50/93/1223705093.db2.gz QRFIOQLGRDWXOL-OIISXLGYSA-N 2 2 359.474 0.576 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210723941 1223705095 /nfs/dbraw/zinc/70/50/95/1223705095.db2.gz QRFIOQLGRDWXOL-OIISXLGYSA-N 2 2 359.474 0.576 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215134669 1223976844 /nfs/dbraw/zinc/97/68/44/1223976844.db2.gz YPZXQCASGXGFLG-RBSFLKMASA-N 2 2 353.426 0.522 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216383981 1224048021 /nfs/dbraw/zinc/04/80/21/1224048021.db2.gz VABOCINEPYMMTC-NVXWUHKLSA-N 2 2 361.490 0.824 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000940711039 1246364587 /nfs/dbraw/zinc/36/45/87/1246364587.db2.gz RULIDBHUMKNDCS-RHSMWYFYSA-N 2 2 357.458 0.261 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001002839505 1252700029 /nfs/dbraw/zinc/70/00/29/1252700029.db2.gz JPOZRBQXQIFAEX-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001002839505 1252700039 /nfs/dbraw/zinc/70/00/39/1252700039.db2.gz JPOZRBQXQIFAEX-BDXSIMOUSA-N 2 2 369.469 0.537 20 30 FCEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001003651782 1253032589 /nfs/dbraw/zinc/03/25/89/1253032589.db2.gz HKJMLIUTKIXEPN-ZACQAIPSSA-N 2 2 371.485 0.891 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C ZINC001003677267 1253057620 /nfs/dbraw/zinc/05/76/20/1253057620.db2.gz UNUZJCOHIMSBHU-DFBDCSAJSA-N 2 2 358.486 0.426 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001003677267 1253057631 /nfs/dbraw/zinc/05/76/31/1253057631.db2.gz UNUZJCOHIMSBHU-DFBDCSAJSA-N 2 2 358.486 0.426 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[NH+]1C ZINC001003677267 1253057638 /nfs/dbraw/zinc/05/76/38/1253057638.db2.gz UNUZJCOHIMSBHU-DFBDCSAJSA-N 2 2 358.486 0.426 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[NH+]1C ZINC001003677267 1253057648 /nfs/dbraw/zinc/05/76/48/1253057648.db2.gz UNUZJCOHIMSBHU-DFBDCSAJSA-N 2 2 358.486 0.426 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329631659 1265794778 /nfs/dbraw/zinc/79/47/78/1265794778.db2.gz MEIYKLHBTKGZPF-MRXNPFEDSA-N 2 2 363.506 0.623 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329631659 1265794784 /nfs/dbraw/zinc/79/47/84/1265794784.db2.gz MEIYKLHBTKGZPF-MRXNPFEDSA-N 2 2 363.506 0.623 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078018074 1255173620 /nfs/dbraw/zinc/17/36/20/1255173620.db2.gz MDQPURLIVWCMFF-IEBWSBKVSA-N 2 2 365.437 0.994 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078018074 1255173623 /nfs/dbraw/zinc/17/36/23/1255173623.db2.gz MDQPURLIVWCMFF-IEBWSBKVSA-N 2 2 365.437 0.994 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001078227316 1255339090 /nfs/dbraw/zinc/33/90/90/1255339090.db2.gz URZUFAVRWNMPTL-BMGDILEWSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001078227316 1255339097 /nfs/dbraw/zinc/33/90/97/1255339097.db2.gz URZUFAVRWNMPTL-BMGDILEWSA-N 2 2 357.458 0.044 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2O)CC1 ZINC001078227040 1255340756 /nfs/dbraw/zinc/34/07/56/1255340756.db2.gz GKOWZGPIUJHZFQ-KFKAGJAMSA-N 2 2 371.485 0.353 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2O)CC1 ZINC001078227040 1255340765 /nfs/dbraw/zinc/34/07/65/1255340765.db2.gz GKOWZGPIUJHZFQ-KFKAGJAMSA-N 2 2 371.485 0.353 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081683859 1256332794 /nfs/dbraw/zinc/33/27/94/1256332794.db2.gz RRRFYEMRZKXPAS-BRSBDYLESA-N 2 2 356.470 0.993 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081683859 1256332802 /nfs/dbraw/zinc/33/28/02/1256332802.db2.gz RRRFYEMRZKXPAS-BRSBDYLESA-N 2 2 356.470 0.993 20 30 FCEDLP CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368434 1256716621 /nfs/dbraw/zinc/71/66/21/1256716621.db2.gz BJDXTZRSACXMNR-BHIYHBOVSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368434 1256716624 /nfs/dbraw/zinc/71/66/24/1256716624.db2.gz BJDXTZRSACXMNR-BHIYHBOVSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368434 1256716630 /nfs/dbraw/zinc/71/66/30/1256716630.db2.gz BJDXTZRSACXMNR-BHIYHBOVSA-N 2 2 359.445 0.944 20 30 FCEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368434 1256716634 /nfs/dbraw/zinc/71/66/34/1256716634.db2.gz BJDXTZRSACXMNR-BHIYHBOVSA-N 2 2 359.445 0.944 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001082892591 1257129113 /nfs/dbraw/zinc/12/91/13/1257129113.db2.gz IYMCWKLSUJPMCL-DJIMGWMZSA-N 2 2 359.474 0.576 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001083833734 1257586936 /nfs/dbraw/zinc/58/69/36/1257586936.db2.gz RVHLCKOCIGTNTG-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001083833734 1257586941 /nfs/dbraw/zinc/58/69/41/1257586941.db2.gz RVHLCKOCIGTNTG-MOPGFXCFSA-N 2 2 356.470 0.951 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953077 1257742059 /nfs/dbraw/zinc/74/20/59/1257742059.db2.gz GJJIRBJMDKKFDL-UHOSZYNNSA-N 2 2 359.445 0.680 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953077 1257742071 /nfs/dbraw/zinc/74/20/71/1257742071.db2.gz GJJIRBJMDKKFDL-UHOSZYNNSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953077 1257742081 /nfs/dbraw/zinc/74/20/81/1257742081.db2.gz GJJIRBJMDKKFDL-UHOSZYNNSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953077 1257742087 /nfs/dbraw/zinc/74/20/87/1257742087.db2.gz GJJIRBJMDKKFDL-UHOSZYNNSA-N 2 2 359.445 0.680 20 30 FCEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052957 1257864820 /nfs/dbraw/zinc/86/48/20/1257864820.db2.gz NRDJSKOBBLBOKE-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052957 1257864826 /nfs/dbraw/zinc/86/48/26/1257864826.db2.gz NRDJSKOBBLBOKE-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084052957 1257864832 /nfs/dbraw/zinc/86/48/32/1257864832.db2.gz NRDJSKOBBLBOKE-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052957 1257864842 /nfs/dbraw/zinc/86/48/42/1257864842.db2.gz NRDJSKOBBLBOKE-UAGQMJEPSA-N 2 2 358.442 0.180 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084561142 1258170937 /nfs/dbraw/zinc/17/09/37/1258170937.db2.gz UPULDIGUCXWNIF-BRWVUGGUSA-N 2 2 357.458 0.593 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084561142 1258170939 /nfs/dbraw/zinc/17/09/39/1258170939.db2.gz UPULDIGUCXWNIF-BRWVUGGUSA-N 2 2 357.458 0.593 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001084851133 1258400360 /nfs/dbraw/zinc/40/03/60/1258400360.db2.gz OHILGSNMPYOILZ-SJLPKXTDSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001084851133 1258400363 /nfs/dbraw/zinc/40/03/63/1258400363.db2.gz OHILGSNMPYOILZ-SJLPKXTDSA-N 2 2 358.486 0.143 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC001127547978 1259179404 /nfs/dbraw/zinc/17/94/04/1259179404.db2.gz VUPWHSFMCQNWOT-ZACQAIPSSA-N 2 2 371.485 0.647 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642847 1259402886 /nfs/dbraw/zinc/40/28/86/1259402886.db2.gz LZJMRUBYDDQPGH-JZXOWHBKSA-N 2 2 359.474 0.033 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642847 1259402891 /nfs/dbraw/zinc/40/28/91/1259402891.db2.gz LZJMRUBYDDQPGH-JZXOWHBKSA-N 2 2 359.474 0.033 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001251840609 1259763787 /nfs/dbraw/zinc/76/37/87/1259763787.db2.gz RBMMCZRGVMMZMB-KRWDZBQOSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001251840609 1259763794 /nfs/dbraw/zinc/76/37/94/1259763794.db2.gz RBMMCZRGVMMZMB-KRWDZBQOSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001251840609 1259763799 /nfs/dbraw/zinc/76/37/99/1259763799.db2.gz RBMMCZRGVMMZMB-KRWDZBQOSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001251840609 1259763804 /nfs/dbraw/zinc/76/38/04/1259763804.db2.gz RBMMCZRGVMMZMB-KRWDZBQOSA-N 2 2 362.474 0.300 20 30 FCEDLP C#CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001251843364 1259766069 /nfs/dbraw/zinc/76/60/69/1259766069.db2.gz JNJMKSQGLDRVBU-QGZVFWFLSA-N 2 2 362.474 0.302 20 30 FCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001251843364 1259766075 /nfs/dbraw/zinc/76/60/75/1259766075.db2.gz JNJMKSQGLDRVBU-QGZVFWFLSA-N 2 2 362.474 0.302 20 30 FCEDLP C=CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252461972 1259789246 /nfs/dbraw/zinc/78/92/46/1259789246.db2.gz CBCCUFSLZZXMGP-QGZVFWFLSA-N 2 2 364.490 0.854 20 30 FCEDLP C=CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252461972 1259789250 /nfs/dbraw/zinc/78/92/50/1259789250.db2.gz CBCCUFSLZZXMGP-QGZVFWFLSA-N 2 2 364.490 0.854 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC001322783085 1264263889 /nfs/dbraw/zinc/26/38/89/1264263889.db2.gz VOPXQRIECYBMLW-BEFAXECRSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC001322783085 1264263891 /nfs/dbraw/zinc/26/38/91/1264263891.db2.gz VOPXQRIECYBMLW-BEFAXECRSA-N 2 2 361.490 0.423 20 30 FCEDLP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325951632 1265028436 /nfs/dbraw/zinc/02/84/36/1265028436.db2.gz BERHEWVNNLGMNK-ZMSDIMECSA-N 2 2 361.490 0.422 20 30 FCEDLP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325951632 1265028441 /nfs/dbraw/zinc/02/84/41/1265028441.db2.gz BERHEWVNNLGMNK-ZMSDIMECSA-N 2 2 361.490 0.422 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001574707781 1271498079 /nfs/dbraw/zinc/49/80/79/1271498079.db2.gz ZRGFFVCRKAOKFH-MSOLQXFVSA-N 2 2 372.517 0.927 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001574707782 1271498181 /nfs/dbraw/zinc/49/81/81/1271498181.db2.gz ZRGFFVCRKAOKFH-QZTJIDSGSA-N 2 2 372.517 0.927 20 30 FCEDLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001575160005 1271756170 /nfs/dbraw/zinc/75/61/70/1271756170.db2.gz BWTCBEZRLQGXLR-OCCSQVGLSA-N 2 2 351.451 0.203 20 30 FCEDLP C[C@@H]([NH3+])Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001579402665 1277286543 /nfs/dbraw/zinc/28/65/43/1277286543.db2.gz WVRIREVNDCKYPW-OAHLLOKOSA-N 2 2 369.473 0.932 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001691885559 1289332763 /nfs/dbraw/zinc/33/27/63/1289332763.db2.gz FGUUCXKSWMQDOG-GOEBONIOSA-N 2 2 358.442 0.257 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001692027635 1289369685 /nfs/dbraw/zinc/36/96/85/1289369685.db2.gz YPSXWKHEQTYFOG-YESZJQIVSA-N 2 2 366.506 0.226 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001692027635 1289369695 /nfs/dbraw/zinc/36/96/95/1289369695.db2.gz YPSXWKHEQTYFOG-YESZJQIVSA-N 2 2 366.506 0.226 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001692176232 1289415669 /nfs/dbraw/zinc/41/56/69/1289415669.db2.gz LJJURHIDWZTRTE-IXDOHACOSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001692176232 1289415673 /nfs/dbraw/zinc/41/56/73/1289415673.db2.gz LJJURHIDWZTRTE-IXDOHACOSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001692176232 1289415675 /nfs/dbraw/zinc/41/56/75/1289415675.db2.gz LJJURHIDWZTRTE-IXDOHACOSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001692176232 1289415679 /nfs/dbraw/zinc/41/56/79/1289415679.db2.gz LJJURHIDWZTRTE-IXDOHACOSA-N 2 2 363.506 0.812 20 30 FCEDLP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521915 843227771 /nfs/dbraw/zinc/22/77/71/843227771.db2.gz HSCCXLNDVFPWKK-BNOWGMLFSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521915 843227780 /nfs/dbraw/zinc/22/77/80/843227780.db2.gz HSCCXLNDVFPWKK-BNOWGMLFSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521915 843227788 /nfs/dbraw/zinc/22/77/88/843227788.db2.gz HSCCXLNDVFPWKK-BNOWGMLFSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521915 843227796 /nfs/dbraw/zinc/22/77/96/843227796.db2.gz HSCCXLNDVFPWKK-BNOWGMLFSA-N 2 2 360.296 0.910 20 30 FCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621529 845207078 /nfs/dbraw/zinc/20/70/78/845207078.db2.gz PRQOHSLEEDSBMJ-XFJVYGCCSA-N 2 2 367.881 0.894 20 30 FCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621529 845207089 /nfs/dbraw/zinc/20/70/89/845207089.db2.gz PRQOHSLEEDSBMJ-XFJVYGCCSA-N 2 2 367.881 0.894 20 30 FCEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468836 852080482 /nfs/dbraw/zinc/08/04/82/852080482.db2.gz PLSOKUSFQAHVEU-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468836 852080487 /nfs/dbraw/zinc/08/04/87/852080487.db2.gz PLSOKUSFQAHVEU-KURKYZTESA-N 2 2 351.491 0.975 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478284 854030772 /nfs/dbraw/zinc/03/07/72/854030772.db2.gz SQUSTYRYAUOAOX-QZTJIDSGSA-N 2 2 351.491 0.575 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478284 854030776 /nfs/dbraw/zinc/03/07/76/854030776.db2.gz SQUSTYRYAUOAOX-QZTJIDSGSA-N 2 2 351.491 0.575 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001209585257 854038991 /nfs/dbraw/zinc/03/89/91/854038991.db2.gz JCPFCXOSYDWRDP-BFYDXBDKSA-N 2 2 351.495 0.429 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001209585257 854038995 /nfs/dbraw/zinc/03/89/95/854038995.db2.gz JCPFCXOSYDWRDP-BFYDXBDKSA-N 2 2 351.495 0.429 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483793 854497448 /nfs/dbraw/zinc/49/74/48/854497448.db2.gz SYTDHOJUBLHLHH-RRFJBIMHSA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483793 854497453 /nfs/dbraw/zinc/49/74/53/854497453.db2.gz SYTDHOJUBLHLHH-RRFJBIMHSA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483793 854497461 /nfs/dbraw/zinc/49/74/61/854497461.db2.gz SYTDHOJUBLHLHH-RRFJBIMHSA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483793 854497470 /nfs/dbraw/zinc/49/74/70/854497470.db2.gz SYTDHOJUBLHLHH-RRFJBIMHSA-N 2 2 354.495 0.223 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577662 /nfs/dbraw/zinc/57/76/62/854577662.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 2 2 355.479 0.114 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577665 /nfs/dbraw/zinc/57/76/65/854577665.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 2 2 355.479 0.114 20 30 FCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577667 /nfs/dbraw/zinc/57/76/67/854577667.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 2 2 355.479 0.114 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522330 854651028 /nfs/dbraw/zinc/65/10/28/854651028.db2.gz BEEYTUKPQKRYBK-KZNAEPCWSA-N 2 2 351.491 0.716 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522330 854651031 /nfs/dbraw/zinc/65/10/31/854651031.db2.gz BEEYTUKPQKRYBK-KZNAEPCWSA-N 2 2 351.491 0.716 20 30 FCEDLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001215225992 855084136 /nfs/dbraw/zinc/08/41/36/855084136.db2.gz BLBFBIVFIFEFBY-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001215225992 855084145 /nfs/dbraw/zinc/08/41/45/855084145.db2.gz BLBFBIVFIFEFBY-KZNAEPCWSA-N 2 2 351.491 0.574 20 30 FCEDLP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590613 855350755 /nfs/dbraw/zinc/35/07/55/855350755.db2.gz MQSXNWVFSKFAGL-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590613 855350769 /nfs/dbraw/zinc/35/07/69/855350769.db2.gz MQSXNWVFSKFAGL-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590613 855350784 /nfs/dbraw/zinc/35/07/84/855350784.db2.gz MQSXNWVFSKFAGL-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590613 855350788 /nfs/dbraw/zinc/35/07/88/855350788.db2.gz MQSXNWVFSKFAGL-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)[NH+](C)C ZINC001220297313 856050530 /nfs/dbraw/zinc/05/05/30/856050530.db2.gz VEGJBEZROYWEME-OWCLPIDISA-N 2 2 350.488 0.867 20 30 FCEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)[NH+](C)C ZINC001220297313 856050534 /nfs/dbraw/zinc/05/05/34/856050534.db2.gz VEGJBEZROYWEME-OWCLPIDISA-N 2 2 350.488 0.867 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355422 856080888 /nfs/dbraw/zinc/08/08/88/856080888.db2.gz OYJFBHBOJWBXRV-VKJFTORMSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355422 856080896 /nfs/dbraw/zinc/08/08/96/856080896.db2.gz OYJFBHBOJWBXRV-VKJFTORMSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355422 856080900 /nfs/dbraw/zinc/08/09/00/856080900.db2.gz OYJFBHBOJWBXRV-VKJFTORMSA-N 2 2 355.454 0.010 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220355422 856080906 /nfs/dbraw/zinc/08/09/06/856080906.db2.gz OYJFBHBOJWBXRV-VKJFTORMSA-N 2 2 355.454 0.010 20 30 FCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253689893 857904461 /nfs/dbraw/zinc/90/44/61/857904461.db2.gz VMNRRSWPFLXZHZ-QGZVFWFLSA-N 2 2 353.507 0.981 20 30 FCEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000091811821 529775633 /nfs/dbraw/zinc/77/56/33/529775633.db2.gz ZQTJKLMJNAXRPC-UHFFFAOYSA-N 2 2 357.524 0.426 20 30 FCEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283845291 213017983 /nfs/dbraw/zinc/01/79/83/213017983.db2.gz IXFKTDMSXRSHTD-UHFFFAOYSA-N 2 2 368.441 0.461 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893951 246356066 /nfs/dbraw/zinc/35/60/66/246356066.db2.gz QPRHMLCKCSHXKF-KRWDZBQOSA-N 2 2 355.442 0.071 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000423714023 247120612 /nfs/dbraw/zinc/12/06/12/247120612.db2.gz RMFGYVVHKWQDAE-MSOLQXFVSA-N 2 2 367.453 0.023 20 30 FCEDLP NC(=[NH+]OCc1nc(N)nc(N)n1)c1ccccc1C[NH+]1CCCCC1 ZINC000263685516 229319100 /nfs/dbraw/zinc/31/91/00/229319100.db2.gz AUABYEZIDAERBT-UHFFFAOYSA-N 2 2 356.434 0.859 20 30 FCEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000299684744 488867507 /nfs/dbraw/zinc/86/75/07/488867507.db2.gz SFBNJOFWLKHYHM-QGZVFWFLSA-N 2 2 355.486 0.838 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568479 488331797 /nfs/dbraw/zinc/33/17/97/488331797.db2.gz DDXQPEHNGWBGAO-INIZCTEOSA-N 2 2 350.507 0.943 20 30 FCEDLP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000329405650 489001164 /nfs/dbraw/zinc/00/11/64/489001164.db2.gz CPRIDMFRKFBHRB-QGZVFWFLSA-N 2 2 365.522 0.871 20 30 FCEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329457603 489005793 /nfs/dbraw/zinc/00/57/93/489005793.db2.gz QPUNGUMZTZSPGT-ZBFHGGJFSA-N 2 2 352.479 0.606 20 30 FCEDLP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000329774084 489035069 /nfs/dbraw/zinc/03/50/69/489035069.db2.gz LXHFUSFNMZZFNM-IAGOWNOFSA-N 2 2 354.495 0.665 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000329868261 489043489 /nfs/dbraw/zinc/04/34/89/489043489.db2.gz XFFHNWCJBMYYQV-OKILXGFUSA-N 2 2 356.467 0.587 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329868261 489043492 /nfs/dbraw/zinc/04/34/92/489043492.db2.gz XFFHNWCJBMYYQV-OKILXGFUSA-N 2 2 356.467 0.587 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329868261 489043495 /nfs/dbraw/zinc/04/34/95/489043495.db2.gz XFFHNWCJBMYYQV-OKILXGFUSA-N 2 2 356.467 0.587 20 30 FCEDLP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329868261 489043498 /nfs/dbraw/zinc/04/34/98/489043498.db2.gz XFFHNWCJBMYYQV-OKILXGFUSA-N 2 2 356.467 0.587 20 30 FCEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000329943289 489052665 /nfs/dbraw/zinc/05/26/65/489052665.db2.gz HQKJJZWKKUSIFQ-MRXNPFEDSA-N 2 2 361.446 0.613 20 30 FCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000330118040 489070957 /nfs/dbraw/zinc/07/09/57/489070957.db2.gz XXJWQCNZZKCCKP-MRXNPFEDSA-N 2 2 351.495 0.623 20 30 FCEDLP CC(=O)NC[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330486845 489107661 /nfs/dbraw/zinc/10/76/61/489107661.db2.gz FVVTTYLRHGARSO-MRXNPFEDSA-N 2 2 353.511 0.775 20 30 FCEDLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000297797188 489242275 /nfs/dbraw/zinc/24/22/75/489242275.db2.gz JQSOECSAYBCKDK-UHFFFAOYSA-N 2 2 371.485 0.613 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000362833948 489400744 /nfs/dbraw/zinc/40/07/44/489400744.db2.gz OOCBPRSDLGZBHV-QGZVFWFLSA-N 2 2 369.469 0.573 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000362833948 489400747 /nfs/dbraw/zinc/40/07/47/489400747.db2.gz OOCBPRSDLGZBHV-QGZVFWFLSA-N 2 2 369.469 0.573 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420061810 489898965 /nfs/dbraw/zinc/89/89/65/489898965.db2.gz LRBNGKKZHJVWLL-KRWDZBQOSA-N 2 2 355.442 0.056 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420201209 489950279 /nfs/dbraw/zinc/95/02/79/489950279.db2.gz NCTIGYQNABRKEF-ROUUACIJSA-N 2 2 369.469 0.446 20 30 FCEDLP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C[NH3+])C1 ZINC000557003635 491348739 /nfs/dbraw/zinc/34/87/39/491348739.db2.gz LDMQFKXDDFQXQF-LBPRGKRZSA-N 2 2 357.393 0.990 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C[NH3+])C1 ZINC000557003635 491348741 /nfs/dbraw/zinc/34/87/41/491348741.db2.gz LDMQFKXDDFQXQF-LBPRGKRZSA-N 2 2 357.393 0.990 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000585711650 491723342 /nfs/dbraw/zinc/72/33/42/491723342.db2.gz XBWXJINUPFJBLT-QGZVFWFLSA-N 2 2 369.469 0.459 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000585711650 491723344 /nfs/dbraw/zinc/72/33/44/491723344.db2.gz XBWXJINUPFJBLT-QGZVFWFLSA-N 2 2 369.469 0.459 20 30 FCEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000580435392 491731245 /nfs/dbraw/zinc/73/12/45/491731245.db2.gz XPLINXJEOMGLEG-QZTJIDSGSA-N 2 2 363.502 0.999 20 30 FCEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(OC)c1 ZINC000580435392 491731247 /nfs/dbraw/zinc/73/12/47/491731247.db2.gz XPLINXJEOMGLEG-QZTJIDSGSA-N 2 2 363.502 0.999 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3sccc3C#N)C2)CC1 ZINC000590247047 491771507 /nfs/dbraw/zinc/77/15/07/491771507.db2.gz YUAMWKYVQLYORO-ZDUSSCGKSA-N 2 2 361.471 0.843 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3sccc3C#N)C2)CC1 ZINC000590247047 491771508 /nfs/dbraw/zinc/77/15/08/491771508.db2.gz YUAMWKYVQLYORO-ZDUSSCGKSA-N 2 2 361.471 0.843 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000582605233 491819399 /nfs/dbraw/zinc/81/93/99/491819399.db2.gz JVSHZVOYMGRHHF-UHFFFAOYSA-N 2 2 358.446 0.376 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000582605233 491819401 /nfs/dbraw/zinc/81/94/01/491819401.db2.gz JVSHZVOYMGRHHF-UHFFFAOYSA-N 2 2 358.446 0.376 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNc3ccc(C#N)cn3)CC2)CC1 ZINC000582779381 491826293 /nfs/dbraw/zinc/82/62/93/491826293.db2.gz LDIBKZJLYCLLOY-UHFFFAOYSA-N 2 2 370.501 1.384 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNc3ccc(C#N)cn3)CC2)CC1 ZINC000582779381 491826295 /nfs/dbraw/zinc/82/62/95/491826295.db2.gz LDIBKZJLYCLLOY-UHFFFAOYSA-N 2 2 370.501 1.384 20 30 FCEDLP C[NH+](C)CCC[N@H+](C)CCn1cc(CNC(=O)c2cccc(C#N)c2)nn1 ZINC000600976915 491890959 /nfs/dbraw/zinc/89/09/59/491890959.db2.gz WNOOLGZPSCLLPI-UHFFFAOYSA-N 2 2 369.473 0.963 20 30 FCEDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CNC(=O)c2cccc(C#N)c2)nn1 ZINC000600976915 491890960 /nfs/dbraw/zinc/89/09/60/491890960.db2.gz WNOOLGZPSCLLPI-UHFFFAOYSA-N 2 2 369.473 0.963 20 30 FCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000602989373 492010693 /nfs/dbraw/zinc/01/06/93/492010693.db2.gz NASIZNQOPZEDKD-QGZVFWFLSA-N 2 2 360.458 0.198 20 30 FCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000602989373 492010694 /nfs/dbraw/zinc/01/06/94/492010694.db2.gz NASIZNQOPZEDKD-QGZVFWFLSA-N 2 2 360.458 0.198 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1 ZINC000615310996 492085669 /nfs/dbraw/zinc/08/56/69/492085669.db2.gz DWLUAXDJHMIURT-CQSZACIVSA-N 2 2 373.432 0.921 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1 ZINC000615310996 492085670 /nfs/dbraw/zinc/08/56/70/492085670.db2.gz DWLUAXDJHMIURT-CQSZACIVSA-N 2 2 373.432 0.921 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000413232781 526427492 /nfs/dbraw/zinc/42/74/92/526427492.db2.gz GWTHDOXQINCXOP-UHFFFAOYSA-N 2 2 354.495 0.625 20 30 FCEDLP C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262407184 526436203 /nfs/dbraw/zinc/43/62/03/526436203.db2.gz OSKNLQGNPUHPFN-IRXDYDNUSA-N 2 2 366.531 0.889 20 30 FCEDLP CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262363094 527590447 /nfs/dbraw/zinc/59/04/47/527590447.db2.gz HCVYTROVBSNXSW-IRXDYDNUSA-N 2 2 368.547 0.969 20 30 FCEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000409567355 528634870 /nfs/dbraw/zinc/63/48/70/528634870.db2.gz MLIFGSHLXCYIDE-HNNXBMFYSA-N 2 2 359.540 0.671 20 30 FCEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409567355 528634873 /nfs/dbraw/zinc/63/48/73/528634873.db2.gz MLIFGSHLXCYIDE-HNNXBMFYSA-N 2 2 359.540 0.671 20 30 FCEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262014496 528818615 /nfs/dbraw/zinc/81/86/15/528818615.db2.gz XLQMRUFUVKEHRK-UHFFFAOYSA-N 2 2 370.523 0.461 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000884220207 673439034 /nfs/dbraw/zinc/43/90/34/673439034.db2.gz JRPVOZZKPPHAAX-HNNXBMFYSA-N 2 2 353.463 0.584 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000884398044 673451393 /nfs/dbraw/zinc/45/13/93/673451393.db2.gz UTKFXHSZCZGRKX-INIZCTEOSA-N 2 2 353.463 0.440 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104362851 1170485586 /nfs/dbraw/zinc/48/55/86/1170485586.db2.gz NESXRWAEJAKUBZ-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H]1C ZINC001088630956 1192728933 /nfs/dbraw/zinc/72/89/33/1192728933.db2.gz JSFZOFCXAMJHDO-PVAVHDDUSA-N 2 2 359.474 0.987 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2nc(C)no2)[C@@H]1C ZINC001088630956 1192728940 /nfs/dbraw/zinc/72/89/40/1192728940.db2.gz JSFZOFCXAMJHDO-PVAVHDDUSA-N 2 2 359.474 0.987 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2nc(C)no2)[C@@H]1C ZINC001088630956 1192728948 /nfs/dbraw/zinc/72/89/48/1192728948.db2.gz JSFZOFCXAMJHDO-PVAVHDDUSA-N 2 2 359.474 0.987 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2nc(C)no2)[C@@H]1C ZINC001088630956 1192728952 /nfs/dbraw/zinc/72/89/52/1192728952.db2.gz JSFZOFCXAMJHDO-PVAVHDDUSA-N 2 2 359.474 0.987 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001691485166 1181528881 /nfs/dbraw/zinc/52/88/81/1181528881.db2.gz AXTRQWSKWKXNIJ-BHYGNILZSA-N 2 2 357.458 0.164 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001691485166 1181528882 /nfs/dbraw/zinc/52/88/82/1181528882.db2.gz AXTRQWSKWKXNIJ-BHYGNILZSA-N 2 2 357.458 0.164 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775764 1182913514 /nfs/dbraw/zinc/91/35/14/1182913514.db2.gz MUTZEZAKNVKRQW-BZUAXINKSA-N 2 2 361.490 0.965 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775764 1182913520 /nfs/dbraw/zinc/91/35/20/1182913520.db2.gz MUTZEZAKNVKRQW-BZUAXINKSA-N 2 2 361.490 0.965 20 30 FCEDLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105097646 1183118414 /nfs/dbraw/zinc/11/84/14/1183118414.db2.gz VOSVSSXAOWKKGY-HZPDHXFCSA-N 2 2 360.462 0.377 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(OC2CC3(CC[NH2+]3)C2)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218245762 1224149663 /nfs/dbraw/zinc/14/96/63/1224149663.db2.gz GVZJORRAAKBJGO-HVEKOLDVSA-N 2 2 373.409 0.437 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076604593 1194593764 /nfs/dbraw/zinc/59/37/64/1194593764.db2.gz NEYHXUQMGQDMHW-BPQIPLTHSA-N 2 2 370.501 0.754 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076604593 1194593771 /nfs/dbraw/zinc/59/37/71/1194593771.db2.gz NEYHXUQMGQDMHW-BPQIPLTHSA-N 2 2 370.501 0.754 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131156 1197103400 /nfs/dbraw/zinc/10/34/00/1197103400.db2.gz ODKKPARBSHUGOT-RHSMWYFYSA-N 2 2 367.453 0.690 20 30 FCEDLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106474195 1197958082 /nfs/dbraw/zinc/95/80/82/1197958082.db2.gz HZAGCFMNJQXWQN-GUDVDZBRSA-N 2 2 365.518 0.821 20 30 FCEDLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106474195 1197958086 /nfs/dbraw/zinc/95/80/86/1197958086.db2.gz HZAGCFMNJQXWQN-GUDVDZBRSA-N 2 2 365.518 0.821 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001219732568 1224585108 /nfs/dbraw/zinc/58/51/08/1224585108.db2.gz YUFNPRNVDXEWNY-KURKYZTESA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001219732568 1224585114 /nfs/dbraw/zinc/58/51/14/1224585114.db2.gz YUFNPRNVDXEWNY-KURKYZTESA-N 2 2 362.449 0.899 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442979 1200287264 /nfs/dbraw/zinc/28/72/64/1200287264.db2.gz QDNQMIZYADIFBO-IKGGRYGDSA-N 2 2 360.502 0.886 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442979 1200287268 /nfs/dbraw/zinc/28/72/68/1200287268.db2.gz QDNQMIZYADIFBO-IKGGRYGDSA-N 2 2 360.502 0.886 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635759 1200432980 /nfs/dbraw/zinc/43/29/80/1200432980.db2.gz QCVHBAIOAGVDKT-BDXSIMOUSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635759 1200432992 /nfs/dbraw/zinc/43/29/92/1200432992.db2.gz QCVHBAIOAGVDKT-BDXSIMOUSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635759 1200432996 /nfs/dbraw/zinc/43/29/96/1200432996.db2.gz QCVHBAIOAGVDKT-BDXSIMOUSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635759 1200432999 /nfs/dbraw/zinc/43/29/99/1200432999.db2.gz QCVHBAIOAGVDKT-BDXSIMOUSA-N 2 2 360.502 0.579 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724173 1200481443 /nfs/dbraw/zinc/48/14/43/1200481443.db2.gz FPJYLQUQVXUZHE-NCOADZHNSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724173 1200481450 /nfs/dbraw/zinc/48/14/50/1200481450.db2.gz FPJYLQUQVXUZHE-NCOADZHNSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724173 1200481453 /nfs/dbraw/zinc/48/14/53/1200481453.db2.gz FPJYLQUQVXUZHE-NCOADZHNSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724173 1200481460 /nfs/dbraw/zinc/48/14/60/1200481460.db2.gz FPJYLQUQVXUZHE-NCOADZHNSA-N 2 2 360.502 0.578 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733221 1200494617 /nfs/dbraw/zinc/49/46/17/1200494617.db2.gz INWVYKNDCQDWSO-QPSCCSFWSA-N 2 2 365.478 0.060 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733221 1200494622 /nfs/dbraw/zinc/49/46/22/1200494622.db2.gz INWVYKNDCQDWSO-QPSCCSFWSA-N 2 2 365.478 0.060 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796909 1200527427 /nfs/dbraw/zinc/52/74/27/1200527427.db2.gz LJSDPIRSTDELJE-BDXSIMOUSA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796909 1200527431 /nfs/dbraw/zinc/52/74/31/1200527431.db2.gz LJSDPIRSTDELJE-BDXSIMOUSA-N 2 2 360.502 0.722 20 30 FCEDLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CCC1 ZINC001219802618 1224620836 /nfs/dbraw/zinc/62/08/36/1224620836.db2.gz WYJIBIQZEIWPTK-SJORKVTESA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CCC1 ZINC001219802618 1224620840 /nfs/dbraw/zinc/62/08/40/1224620840.db2.gz WYJIBIQZEIWPTK-SJORKVTESA-N 2 2 360.433 0.843 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910514 1201423437 /nfs/dbraw/zinc/42/34/37/1201423437.db2.gz WREYKCFVNSQEBM-CVEARBPZSA-N 2 2 355.446 0.583 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918969 1201440972 /nfs/dbraw/zinc/44/09/72/1201440972.db2.gz NPPFQSUMZVZKJN-QGTPRVQTSA-N 2 2 367.457 0.480 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918969 1201440975 /nfs/dbraw/zinc/44/09/75/1201440975.db2.gz NPPFQSUMZVZKJN-QGTPRVQTSA-N 2 2 367.457 0.480 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001130223477 1201553293 /nfs/dbraw/zinc/55/32/93/1201553293.db2.gz WHTDMWUTBBWNPK-KBPBESRZSA-N 2 2 359.434 0.274 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001130223477 1201553300 /nfs/dbraw/zinc/55/33/00/1201553300.db2.gz WHTDMWUTBBWNPK-KBPBESRZSA-N 2 2 359.434 0.274 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@H]3C)n2)O1 ZINC001130809044 1202801697 /nfs/dbraw/zinc/80/16/97/1202801697.db2.gz DNXBDPAXEGSMLC-QLFBSQMISA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@H]3C)n2)O1 ZINC001130809044 1202801700 /nfs/dbraw/zinc/80/17/00/1202801700.db2.gz DNXBDPAXEGSMLC-QLFBSQMISA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130809178 1202802401 /nfs/dbraw/zinc/80/24/01/1202802401.db2.gz LDNBYHWUYGKSII-SQWLQELKSA-N 2 2 362.478 0.450 20 30 FCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817563 1202808630 /nfs/dbraw/zinc/80/86/30/1202808630.db2.gz SQJARKFCUVHYEG-LSDHHAIUSA-N 2 2 362.478 0.903 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cncn1C ZINC001131019939 1202846522 /nfs/dbraw/zinc/84/65/22/1202846522.db2.gz HMELDKSLWBDGSW-NVXWUHKLSA-N 2 2 370.457 0.691 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131019892 1202846546 /nfs/dbraw/zinc/84/65/46/1202846546.db2.gz FUKZSHDNWQDNKG-CGTJXYLNSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000819150225 1203151025 /nfs/dbraw/zinc/15/10/25/1203151025.db2.gz SXCBPOGIOOBBNW-ROUUACIJSA-N 2 2 358.486 0.050 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000819150225 1203151030 /nfs/dbraw/zinc/15/10/30/1203151030.db2.gz SXCBPOGIOOBBNW-ROUUACIJSA-N 2 2 358.486 0.050 20 30 FCEDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416781 /nfs/dbraw/zinc/41/67/81/1204416781.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416788 /nfs/dbraw/zinc/41/67/88/1204416788.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416794 /nfs/dbraw/zinc/41/67/94/1204416794.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 2 357.458 0.564 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416797 /nfs/dbraw/zinc/41/67/97/1204416797.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 2 357.458 0.564 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001094436797 1206226549 /nfs/dbraw/zinc/22/65/49/1206226549.db2.gz IZEARKVCMHJNNT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001094436797 1206226550 /nfs/dbraw/zinc/22/65/50/1206226550.db2.gz IZEARKVCMHJNNT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnnn1C)CC2 ZINC001094436797 1206226552 /nfs/dbraw/zinc/22/65/52/1206226552.db2.gz IZEARKVCMHJNNT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnnn1C)CC2 ZINC001094436797 1206226553 /nfs/dbraw/zinc/22/65/53/1206226553.db2.gz IZEARKVCMHJNNT-NLWGTHIKSA-N 2 2 370.501 0.774 20 30 FCEDLP C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185963262 1206490057 /nfs/dbraw/zinc/49/00/57/1206490057.db2.gz PUNTWCKAXBAIEU-HYVNUMGLSA-N 2 2 362.478 0.436 20 30 FCEDLP C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185963262 1206490058 /nfs/dbraw/zinc/49/00/58/1206490058.db2.gz PUNTWCKAXBAIEU-HYVNUMGLSA-N 2 2 362.478 0.436 20 30 FCEDLP N#CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643959 1224982708 /nfs/dbraw/zinc/98/27/08/1224982708.db2.gz ZKAYKMPXKNFIBX-KRWDZBQOSA-N 2 2 352.442 0.954 20 30 FCEDLP N#CC1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643959 1224982717 /nfs/dbraw/zinc/98/27/17/1224982717.db2.gz ZKAYKMPXKNFIBX-KRWDZBQOSA-N 2 2 352.442 0.954 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246742 1207523456 /nfs/dbraw/zinc/52/34/56/1207523456.db2.gz RTUKRACVCVRQNU-DOTOQJQBSA-N 2 2 359.474 0.910 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246742 1207523461 /nfs/dbraw/zinc/52/34/61/1207523461.db2.gz RTUKRACVCVRQNU-DOTOQJQBSA-N 2 2 359.474 0.910 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433893 1207550527 /nfs/dbraw/zinc/55/05/27/1207550527.db2.gz YYPJVUGTXBDUIX-RYQLBKOJSA-N 2 2 371.485 0.642 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193447890 1207873427 /nfs/dbraw/zinc/87/34/27/1207873427.db2.gz YUFNPRNVDXEWNY-KZNAEPCWSA-N 2 2 362.449 0.899 20 30 FCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193447890 1207873429 /nfs/dbraw/zinc/87/34/29/1207873429.db2.gz YUFNPRNVDXEWNY-KZNAEPCWSA-N 2 2 362.449 0.899 20 30 FCEDLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CCC1 ZINC001193747216 1207889992 /nfs/dbraw/zinc/88/99/92/1207889992.db2.gz WYJIBIQZEIWPTK-IAGOWNOFSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CCC1 ZINC001193747216 1207889995 /nfs/dbraw/zinc/88/99/95/1207889995.db2.gz WYJIBIQZEIWPTK-IAGOWNOFSA-N 2 2 360.433 0.843 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007150 1207989443 /nfs/dbraw/zinc/98/94/43/1207989443.db2.gz YLFIDOYJHWEVPP-BZUAXINKSA-N 2 2 366.506 0.103 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007150 1207989444 /nfs/dbraw/zinc/98/94/44/1207989444.db2.gz YLFIDOYJHWEVPP-BZUAXINKSA-N 2 2 366.506 0.103 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672249 1208281309 /nfs/dbraw/zinc/28/13/09/1208281309.db2.gz KRXHLWITLCMXNK-BRWVUGGUSA-N 2 2 366.506 0.057 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672249 1208281316 /nfs/dbraw/zinc/28/13/16/1208281316.db2.gz KRXHLWITLCMXNK-BRWVUGGUSA-N 2 2 366.506 0.057 20 30 FCEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110658391 1209576505 /nfs/dbraw/zinc/57/65/05/1209576505.db2.gz URGWQDBBGRUHJA-HZMVEIRTSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110658391 1209576509 /nfs/dbraw/zinc/57/65/09/1209576509.db2.gz URGWQDBBGRUHJA-HZMVEIRTSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001110658391 1209576512 /nfs/dbraw/zinc/57/65/12/1209576512.db2.gz URGWQDBBGRUHJA-HZMVEIRTSA-N 2 2 361.490 0.326 20 30 FCEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001110658391 1209576517 /nfs/dbraw/zinc/57/65/17/1209576517.db2.gz URGWQDBBGRUHJA-HZMVEIRTSA-N 2 2 361.490 0.326 20 30 FCEDLP O=C(NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202152 1210178586 /nfs/dbraw/zinc/17/85/86/1210178586.db2.gz WQKKFQGTKFDVPJ-PKTISDMASA-N 2 2 370.453 0.739 20 30 FCEDLP O=C(NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202152 1210178596 /nfs/dbraw/zinc/17/85/96/1210178596.db2.gz WQKKFQGTKFDVPJ-PKTISDMASA-N 2 2 370.453 0.739 20 30 FCEDLP Cc1nc(C#N)cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000881962288 1210609396 /nfs/dbraw/zinc/60/93/96/1210609396.db2.gz XKGVCZAQUDEKFW-UHFFFAOYSA-N 2 2 371.489 0.331 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169347 1211909679 /nfs/dbraw/zinc/90/96/79/1211909679.db2.gz OXAPNHKHEKOOIS-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169347 1211909682 /nfs/dbraw/zinc/90/96/82/1211909682.db2.gz OXAPNHKHEKOOIS-KFWWJZLASA-N 2 2 365.478 0.062 20 30 FCEDLP CCC(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)[NH+]1CCOCC1 ZINC000303792199 1213440792 /nfs/dbraw/zinc/44/07/92/1213440792.db2.gz YFYPSODAHOROHJ-SFHVURJKSA-N 2 2 369.554 0.621 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730680 1225465071 /nfs/dbraw/zinc/46/50/71/1225465071.db2.gz NMCKWQPROOJALQ-BRWVUGGUSA-N 2 2 360.502 0.531 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730680 1225465073 /nfs/dbraw/zinc/46/50/73/1225465073.db2.gz NMCKWQPROOJALQ-BRWVUGGUSA-N 2 2 360.502 0.531 20 30 FCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)CCC#N)C[C@H]21)[NH+](C)C ZINC001221816255 1225490900 /nfs/dbraw/zinc/49/09/00/1225490900.db2.gz QUIRJAZGPBRBOS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21)[NH+](C)C ZINC001221816255 1225490903 /nfs/dbraw/zinc/49/09/03/1225490903.db2.gz QUIRJAZGPBRBOS-IXDOHACOSA-N 2 2 363.506 0.621 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873114 1225517224 /nfs/dbraw/zinc/51/72/24/1225517224.db2.gz QDYOAMMECLDTMD-IAGOWNOFSA-N 2 2 357.458 0.254 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873114 1225517226 /nfs/dbraw/zinc/51/72/26/1225517226.db2.gz QDYOAMMECLDTMD-IAGOWNOFSA-N 2 2 357.458 0.254 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001221878046 1225518838 /nfs/dbraw/zinc/51/88/38/1225518838.db2.gz ZCQRMUBZYORMEM-JFIYKMOQSA-N 2 2 363.506 0.525 20 30 FCEDLP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001221878046 1225518840 /nfs/dbraw/zinc/51/88/40/1225518840.db2.gz ZCQRMUBZYORMEM-JFIYKMOQSA-N 2 2 363.506 0.525 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(CC)[nH+]c(C)n3)C[C@H]2O)CC1 ZINC001041065173 1214684543 /nfs/dbraw/zinc/68/45/43/1214684543.db2.gz NNJCUVLLWBHVFM-QZTJIDSGSA-N 2 2 371.485 0.358 20 30 FCEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)CC1 ZINC001050600523 1216339334 /nfs/dbraw/zinc/33/93/34/1216339334.db2.gz WFCCOENBYHXMGV-MSOLQXFVSA-N 2 2 361.486 0.424 20 30 FCEDLP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)[NH+]1CCCC1 ZINC001223245743 1225694371 /nfs/dbraw/zinc/69/43/71/1225694371.db2.gz GEHAWXTVPRAOPY-CVEARBPZSA-N 2 2 361.490 0.423 20 30 FCEDLP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)[NH+]1CCCC1 ZINC001223245743 1225694374 /nfs/dbraw/zinc/69/43/74/1225694374.db2.gz GEHAWXTVPRAOPY-CVEARBPZSA-N 2 2 361.490 0.423 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930439 1216850160 /nfs/dbraw/zinc/85/01/60/1216850160.db2.gz JODIIAZPFQRVJR-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930439 1216850162 /nfs/dbraw/zinc/85/01/62/1216850162.db2.gz JODIIAZPFQRVJR-SJORKVTESA-N 2 2 369.473 0.971 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930563 1216850538 /nfs/dbraw/zinc/85/05/38/1216850538.db2.gz QWRAQNNLWXNGQT-SJORKVTESA-N 2 2 367.457 0.418 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930563 1216850539 /nfs/dbraw/zinc/85/05/39/1216850539.db2.gz QWRAQNNLWXNGQT-SJORKVTESA-N 2 2 367.457 0.418 20 30 FCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945772 1216859395 /nfs/dbraw/zinc/85/93/95/1216859395.db2.gz VTTUHVWIZXBVTC-OAGGEKHMSA-N 2 2 353.430 0.417 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945772 1216859396 /nfs/dbraw/zinc/85/93/96/1216859396.db2.gz VTTUHVWIZXBVTC-OAGGEKHMSA-N 2 2 353.430 0.417 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963890 1216870686 /nfs/dbraw/zinc/87/06/86/1216870686.db2.gz TVMUXISDSCWHSS-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963890 1216870687 /nfs/dbraw/zinc/87/06/87/1216870687.db2.gz TVMUXISDSCWHSS-UAGQMJEPSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963678 1216871060 /nfs/dbraw/zinc/87/10/60/1216871060.db2.gz OGBSNWRZDDPQBS-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963678 1216871063 /nfs/dbraw/zinc/87/10/63/1216871063.db2.gz OGBSNWRZDDPQBS-OAGGEKHMSA-N 2 2 355.446 0.655 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965714 1216872256 /nfs/dbraw/zinc/87/22/56/1216872256.db2.gz BOCXTJKBEPLUKT-MSOLQXFVSA-N 2 2 363.425 0.913 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965714 1216872257 /nfs/dbraw/zinc/87/22/57/1216872257.db2.gz BOCXTJKBEPLUKT-MSOLQXFVSA-N 2 2 363.425 0.913 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070028878 1216907635 /nfs/dbraw/zinc/90/76/35/1216907635.db2.gz IXNLXXGGOHXSLX-UAGQMJEPSA-N 2 2 355.446 0.573 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070028878 1216907636 /nfs/dbraw/zinc/90/76/36/1216907636.db2.gz IXNLXXGGOHXSLX-UAGQMJEPSA-N 2 2 355.446 0.573 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684267 1225726340 /nfs/dbraw/zinc/72/63/40/1225726340.db2.gz PERINUADTOERMH-MSOLQXFVSA-N 2 2 371.485 0.644 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684267 1225726344 /nfs/dbraw/zinc/72/63/44/1225726344.db2.gz PERINUADTOERMH-MSOLQXFVSA-N 2 2 371.485 0.644 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037730 1225753371 /nfs/dbraw/zinc/75/33/71/1225753371.db2.gz YIZLPVCJORDBOG-WBVHZDCISA-N 2 2 357.458 0.025 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037730 1225753373 /nfs/dbraw/zinc/75/33/73/1225753373.db2.gz YIZLPVCJORDBOG-WBVHZDCISA-N 2 2 357.458 0.025 20 30 FCEDLP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CCCCC#N)C3)CC1 ZINC001276955329 1225763253 /nfs/dbraw/zinc/76/32/53/1225763253.db2.gz INLKRVAUCBEPJK-UHFFFAOYSA-N 2 2 363.506 0.231 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccnn1C ZINC001097248191 1218737587 /nfs/dbraw/zinc/73/75/87/1218737587.db2.gz SRAVUDOPWZUMBL-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccnn1C ZINC001097248191 1218737605 /nfs/dbraw/zinc/73/76/05/1218737605.db2.gz SRAVUDOPWZUMBL-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccnn1C ZINC001097248191 1218737615 /nfs/dbraw/zinc/73/76/15/1218737615.db2.gz SRAVUDOPWZUMBL-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccnn1C ZINC001097248191 1218737623 /nfs/dbraw/zinc/73/76/23/1218737623.db2.gz SRAVUDOPWZUMBL-YRXWBPOGSA-N 2 2 355.486 0.782 20 30 FCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052993064 1218870560 /nfs/dbraw/zinc/87/05/60/1218870560.db2.gz WRSMGTULPGVPSS-HCXYKTFWSA-N 2 2 363.502 0.709 20 30 FCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052993064 1218870562 /nfs/dbraw/zinc/87/05/62/1218870562.db2.gz WRSMGTULPGVPSS-HCXYKTFWSA-N 2 2 363.502 0.709 20 30 FCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064102 1219127440 /nfs/dbraw/zinc/12/74/40/1219127440.db2.gz BCQOJWHEPFTUDE-SJORKVTESA-N 2 2 364.413 0.700 20 30 FCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064102 1219127448 /nfs/dbraw/zinc/12/74/48/1219127448.db2.gz BCQOJWHEPFTUDE-SJORKVTESA-N 2 2 364.413 0.700 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070071880 1219136842 /nfs/dbraw/zinc/13/68/42/1219136842.db2.gz OWXDWIMPVDYWDY-MOPGFXCFSA-N 2 2 370.501 0.765 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070071880 1219136850 /nfs/dbraw/zinc/13/68/50/1219136850.db2.gz OWXDWIMPVDYWDY-MOPGFXCFSA-N 2 2 370.501 0.765 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001070380406 1219406143 /nfs/dbraw/zinc/40/61/43/1219406143.db2.gz FAIIPPORFTVUBZ-APWZRJJASA-N 2 2 357.458 0.451 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070681050 1219522123 /nfs/dbraw/zinc/52/21/23/1219522123.db2.gz RDBDDBINTRXGRG-BRWVUGGUSA-N 2 2 358.490 0.950 20 30 FCEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070681050 1219522127 /nfs/dbraw/zinc/52/21/27/1219522127.db2.gz RDBDDBINTRXGRG-BRWVUGGUSA-N 2 2 358.490 0.950 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924773 1219582224 /nfs/dbraw/zinc/58/22/24/1219582224.db2.gz RZYQDPXVPYWRQL-BBWFWOEESA-N 2 2 360.458 0.211 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924773 1219582225 /nfs/dbraw/zinc/58/22/25/1219582225.db2.gz RZYQDPXVPYWRQL-BBWFWOEESA-N 2 2 360.458 0.211 20 30 FCEDLP COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099121867 1219921561 /nfs/dbraw/zinc/92/15/61/1219921561.db2.gz QFKNEEUPXBGFLG-FGTMMUONSA-N 2 2 365.518 0.962 20 30 FCEDLP COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099121867 1219921565 /nfs/dbraw/zinc/92/15/65/1219921565.db2.gz QFKNEEUPXBGFLG-FGTMMUONSA-N 2 2 365.518 0.962 20 30 FCEDLP COCC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001099121867 1219921567 /nfs/dbraw/zinc/92/15/67/1219921567.db2.gz QFKNEEUPXBGFLG-FGTMMUONSA-N 2 2 365.518 0.962 20 30 FCEDLP COCC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001099121867 1219921571 /nfs/dbraw/zinc/92/15/71/1219921571.db2.gz QFKNEEUPXBGFLG-FGTMMUONSA-N 2 2 365.518 0.962 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467480 1219932937 /nfs/dbraw/zinc/93/29/37/1219932937.db2.gz KMTFCIYVEMHDNI-VXNCWWDNSA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467480 1219932943 /nfs/dbraw/zinc/93/29/43/1219932943.db2.gz KMTFCIYVEMHDNI-VXNCWWDNSA-N 2 2 360.502 0.578 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267602 1220256931 /nfs/dbraw/zinc/25/69/31/1220256931.db2.gz MBIGLZOKFAUEJL-GUXCAODWSA-N 2 2 371.485 0.843 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267602 1220256933 /nfs/dbraw/zinc/25/69/33/1220256933.db2.gz MBIGLZOKFAUEJL-GUXCAODWSA-N 2 2 371.485 0.843 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102106259 1220497279 /nfs/dbraw/zinc/49/72/79/1220497279.db2.gz FBTFPUSKOGIWTI-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102106259 1220497280 /nfs/dbraw/zinc/49/72/80/1220497280.db2.gz FBTFPUSKOGIWTI-OWCLPIDISA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483028 1220648779 /nfs/dbraw/zinc/64/87/79/1220648779.db2.gz UJLAECBVSZGYDF-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483028 1220648783 /nfs/dbraw/zinc/64/87/83/1220648783.db2.gz UJLAECBVSZGYDF-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001103099256 1220832912 /nfs/dbraw/zinc/83/29/12/1220832912.db2.gz GUNQSVMQAYMKND-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001103099256 1220832915 /nfs/dbraw/zinc/83/29/15/1220832915.db2.gz GUNQSVMQAYMKND-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001103099256 1220832916 /nfs/dbraw/zinc/83/29/16/1220832916.db2.gz GUNQSVMQAYMKND-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001103099256 1220832917 /nfs/dbraw/zinc/83/29/17/1220832917.db2.gz GUNQSVMQAYMKND-OIISXLGYSA-N 2 2 358.490 0.785 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103105580 1220834535 /nfs/dbraw/zinc/83/45/35/1220834535.db2.gz XOSHSJXJFAFRJP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103105580 1220834536 /nfs/dbraw/zinc/83/45/36/1220834536.db2.gz XOSHSJXJFAFRJP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103105580 1220834537 /nfs/dbraw/zinc/83/45/37/1220834537.db2.gz XOSHSJXJFAFRJP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103105580 1220834539 /nfs/dbraw/zinc/83/45/39/1220834539.db2.gz XOSHSJXJFAFRJP-KLHDSHLOSA-N 2 2 359.474 0.890 20 30 FCEDLP C[C@H](CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001103479439 1220888493 /nfs/dbraw/zinc/88/84/93/1220888493.db2.gz NOTAAPCBPYDXJZ-BZUAXINKSA-N 2 2 360.462 0.548 20 30 FCEDLP C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001103479439 1220888496 /nfs/dbraw/zinc/88/84/96/1220888496.db2.gz NOTAAPCBPYDXJZ-BZUAXINKSA-N 2 2 360.462 0.548 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001111914565 1221166097 /nfs/dbraw/zinc/16/60/97/1221166097.db2.gz AVENDPHSPIFVRF-LPHOPBHVSA-N 2 2 361.490 0.329 20 30 FCEDLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001111914565 1221166100 /nfs/dbraw/zinc/16/61/00/1221166100.db2.gz AVENDPHSPIFVRF-LPHOPBHVSA-N 2 2 361.490 0.329 20 30 FCEDLP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331597 1221239581 /nfs/dbraw/zinc/23/95/81/1221239581.db2.gz OUFVTRSSBWHIFQ-KSSFIOAISA-N 2 2 358.446 0.200 20 30 FCEDLP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115736235 1221320987 /nfs/dbraw/zinc/32/09/87/1221320987.db2.gz MDEWXFACHYMWEH-HZPDHXFCSA-N 2 2 371.485 0.682 20 30 FCEDLP C#CC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000830338058 1222470198 /nfs/dbraw/zinc/47/01/98/1222470198.db2.gz PSGSKXOVDBXPER-UHFFFAOYSA-N 2 2 367.457 0.357 20 30 FCEDLP CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158208963 1223090621 /nfs/dbraw/zinc/09/06/21/1223090621.db2.gz BEACTCDMPXJBRB-YPMHNXCESA-N 2 2 358.402 0.473 20 30 FCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC001160602226 1223165962 /nfs/dbraw/zinc/16/59/62/1223165962.db2.gz CVJVEDKPUHDZMV-INIZCTEOSA-N 2 2 353.430 0.295 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253705 1223193090 /nfs/dbraw/zinc/19/30/90/1223193090.db2.gz XXIVYQKGIAMRAT-IAGOWNOFSA-N 2 2 369.469 0.411 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253705 1223193092 /nfs/dbraw/zinc/19/30/92/1223193092.db2.gz XXIVYQKGIAMRAT-IAGOWNOFSA-N 2 2 369.469 0.411 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627803 1223564889 /nfs/dbraw/zinc/56/48/89/1223564889.db2.gz AWRYFXHFOLPZLY-FRFSOERESA-N 2 2 359.474 0.493 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627803 1223564892 /nfs/dbraw/zinc/56/48/92/1223564892.db2.gz AWRYFXHFOLPZLY-FRFSOERESA-N 2 2 359.474 0.493 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917056 1223954906 /nfs/dbraw/zinc/95/49/06/1223954906.db2.gz MWKLRJRMDBMURV-ZACQAIPSSA-N 2 2 359.474 0.656 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185523 1224038053 /nfs/dbraw/zinc/03/80/53/1224038053.db2.gz WUBRPLYKVZMNBI-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216856972 1224079084 /nfs/dbraw/zinc/07/90/84/1224079084.db2.gz CBWOMAZFBCWIQM-KYJSFNMBSA-N 2 2 359.474 0.423 20 30 FCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978510496 1248767121 /nfs/dbraw/zinc/76/71/21/1248767121.db2.gz QNWPYYZSUWJYKQ-QQXKLLMISA-N 2 2 361.486 0.184 20 30 FCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978510496 1248767128 /nfs/dbraw/zinc/76/71/28/1248767128.db2.gz QNWPYYZSUWJYKQ-QQXKLLMISA-N 2 2 361.486 0.184 20 30 FCEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cnc12 ZINC001329508376 1265771653 /nfs/dbraw/zinc/77/16/53/1265771653.db2.gz WKXYYVJKLRBDCA-KRWDZBQOSA-N 2 2 355.446 0.097 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)CC1 ZINC001078227226 1255340482 /nfs/dbraw/zinc/34/04/82/1255340482.db2.gz OYFCOGAYFWAGKV-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)CC1 ZINC001078227226 1255340491 /nfs/dbraw/zinc/34/04/91/1255340491.db2.gz OYFCOGAYFWAGKV-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846864 1256409435 /nfs/dbraw/zinc/40/94/35/1256409435.db2.gz KYZPCJRTNXJLKO-UTRMSSBJSA-N 2 2 372.469 0.593 20 30 FCEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846864 1256409438 /nfs/dbraw/zinc/40/94/38/1256409438.db2.gz KYZPCJRTNXJLKO-UTRMSSBJSA-N 2 2 372.469 0.593 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846864 1256409441 /nfs/dbraw/zinc/40/94/41/1256409441.db2.gz KYZPCJRTNXJLKO-UTRMSSBJSA-N 2 2 372.469 0.593 20 30 FCEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846864 1256409444 /nfs/dbraw/zinc/40/94/44/1256409444.db2.gz KYZPCJRTNXJLKO-UTRMSSBJSA-N 2 2 372.469 0.593 20 30 FCEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952970 1257740669 /nfs/dbraw/zinc/74/06/69/1257740669.db2.gz BQNYIKXNXXEAOG-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952970 1257740679 /nfs/dbraw/zinc/74/06/79/1257740679.db2.gz BQNYIKXNXXEAOG-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952970 1257740683 /nfs/dbraw/zinc/74/06/83/1257740683.db2.gz BQNYIKXNXXEAOG-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083952970 1257740688 /nfs/dbraw/zinc/74/06/88/1257740688.db2.gz BQNYIKXNXXEAOG-QGTPRVQTSA-N 2 2 360.433 0.700 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001084089447 1257914143 /nfs/dbraw/zinc/91/41/43/1257914143.db2.gz JQMWMJRZLCPBRP-MOPGFXCFSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001084089447 1257914145 /nfs/dbraw/zinc/91/41/45/1257914145.db2.gz JQMWMJRZLCPBRP-MOPGFXCFSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nncn4C)[C@H]3C2)CC1 ZINC001085100701 1258593809 /nfs/dbraw/zinc/59/38/09/1258593809.db2.gz XUTGFUHZCFMXNN-AEFFLSMTSA-N 2 2 370.501 0.583 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nncn4C)[C@H]3C2)CC1 ZINC001085100701 1258593815 /nfs/dbraw/zinc/59/38/15/1258593815.db2.gz XUTGFUHZCFMXNN-AEFFLSMTSA-N 2 2 370.501 0.583 20 30 FCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011699 1259016797 /nfs/dbraw/zinc/01/67/97/1259016797.db2.gz OBHKUGSIWRVVQL-QRQLOZEOSA-N 2 2 363.502 0.431 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107472703 1259097751 /nfs/dbraw/zinc/09/77/51/1259097751.db2.gz CWGYGDOXDBJTGO-CRAIPNDOSA-N 2 2 358.446 0.192 20 30 FCEDLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107472703 1259097760 /nfs/dbraw/zinc/09/77/60/1259097760.db2.gz CWGYGDOXDBJTGO-CRAIPNDOSA-N 2 2 358.446 0.192 20 30 FCEDLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107620255 1259134934 /nfs/dbraw/zinc/13/49/34/1259134934.db2.gz GKTXXXYZQJLEKA-CRAIPNDOSA-N 2 2 358.446 0.261 20 30 FCEDLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107620255 1259134936 /nfs/dbraw/zinc/13/49/36/1259134936.db2.gz GKTXXXYZQJLEKA-CRAIPNDOSA-N 2 2 358.446 0.261 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680212 1259427272 /nfs/dbraw/zinc/42/72/72/1259427272.db2.gz LPKNXYLERCPVNY-ZWKOTPCHSA-N 2 2 365.437 0.286 20 30 FCEDLP C=CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252467076 1259792267 /nfs/dbraw/zinc/79/22/67/1259792267.db2.gz VMUFEAGAPBQZPM-QGZVFWFLSA-N 2 2 362.474 0.608 20 30 FCEDLP C=CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252467076 1259792272 /nfs/dbraw/zinc/79/22/72/1259792272.db2.gz VMUFEAGAPBQZPM-QGZVFWFLSA-N 2 2 362.474 0.608 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1C#N ZINC001273217890 1260627229 /nfs/dbraw/zinc/62/72/29/1260627229.db2.gz NYUCGLBYLUPTAI-BZSNNMDCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1C#N ZINC001273217890 1260627237 /nfs/dbraw/zinc/62/72/37/1260627237.db2.gz NYUCGLBYLUPTAI-BZSNNMDCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC001273217890 1260627243 /nfs/dbraw/zinc/62/72/43/1260627243.db2.gz NYUCGLBYLUPTAI-BZSNNMDCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001273217890 1260627251 /nfs/dbraw/zinc/62/72/51/1260627251.db2.gz NYUCGLBYLUPTAI-BZSNNMDCSA-N 2 2 357.458 0.403 20 30 FCEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC001280303536 1261052263 /nfs/dbraw/zinc/05/22/63/1261052263.db2.gz WMXBDUMWVPHQLE-ROUUACIJSA-N 2 2 356.474 0.913 20 30 FCEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC001280303536 1261052269 /nfs/dbraw/zinc/05/22/69/1261052269.db2.gz WMXBDUMWVPHQLE-ROUUACIJSA-N 2 2 356.474 0.913 20 30 FCEDLP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325951630 1265028555 /nfs/dbraw/zinc/02/85/55/1265028555.db2.gz BERHEWVNNLGMNK-UXLLHSPISA-N 2 2 361.490 0.422 20 30 FCEDLP CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325951630 1265028560 /nfs/dbraw/zinc/02/85/60/1265028560.db2.gz BERHEWVNNLGMNK-UXLLHSPISA-N 2 2 361.490 0.422 20 30 FCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001343560978 1269946994 /nfs/dbraw/zinc/94/69/94/1269946994.db2.gz PBIFSHRKAICUQA-MRXNPFEDSA-N 2 2 374.489 0.645 20 30 FCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001343560978 1269947003 /nfs/dbraw/zinc/94/70/03/1269947003.db2.gz PBIFSHRKAICUQA-MRXNPFEDSA-N 2 2 374.489 0.645 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001574707480 1271498042 /nfs/dbraw/zinc/49/80/42/1271498042.db2.gz TTYQWXTYTUGIIN-IAGOWNOFSA-N 2 2 358.490 0.537 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001574707500 1271498098 /nfs/dbraw/zinc/49/80/98/1271498098.db2.gz UJGRSSBHPWLVQU-HDICACEKSA-N 3 2 373.549 0.968 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001574707500 1271498102 /nfs/dbraw/zinc/49/81/02/1271498102.db2.gz UJGRSSBHPWLVQU-HDICACEKSA-N 3 2 373.549 0.968 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001574707478 1271498798 /nfs/dbraw/zinc/49/87/98/1271498798.db2.gz SZXJOFKDNBFMKT-MRXNPFEDSA-N 2 2 366.473 0.490 20 30 FCEDLP CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2)CC1 ZINC001578536387 1275964597 /nfs/dbraw/zinc/96/45/97/1275964597.db2.gz OYZZJLQANLOXEF-MSOLQXFVSA-N 2 2 356.474 0.345 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001588351514 1282446872 /nfs/dbraw/zinc/44/68/72/1282446872.db2.gz XQKGRGPKEOAYKG-BBRMVZONSA-N 2 2 366.429 0.054 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001588351514 1282446876 /nfs/dbraw/zinc/44/68/76/1282446876.db2.gz XQKGRGPKEOAYKG-BBRMVZONSA-N 2 2 366.429 0.054 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691890196 1289334305 /nfs/dbraw/zinc/33/43/05/1289334305.db2.gz YTQYYCBITQKODT-DZGCQCFKSA-N 2 2 353.426 0.800 20 30 FCEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001692079461 1289385545 /nfs/dbraw/zinc/38/55/45/1289385545.db2.gz PTYZCLKDAKXCKW-HCXYKTFWSA-N 2 2 363.502 0.716 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001689032313 1294578901 /nfs/dbraw/zinc/57/89/01/1294578901.db2.gz WDRDTRAHRZARAA-BPQIPLTHSA-N 2 2 366.469 0.787 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1OCC ZINC001689071523 1294593457 /nfs/dbraw/zinc/59/34/57/1294593457.db2.gz WYVHUPBCSXQSKP-BHIYHBOVSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1OCC ZINC001689071523 1294593465 /nfs/dbraw/zinc/59/34/65/1294593465.db2.gz WYVHUPBCSXQSKP-BHIYHBOVSA-N 2 2 363.502 0.716 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691823709 1294928725 /nfs/dbraw/zinc/92/87/25/1294928725.db2.gz CWBOXOXORMECNE-ZACQAIPSSA-N 2 2 371.485 0.412 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329702 837647096 /nfs/dbraw/zinc/64/70/96/837647096.db2.gz CSVNTUFPWKHWPY-QLFBSQMISA-N 2 2 368.869 0.093 20 30 FCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329702 837647100 /nfs/dbraw/zinc/64/71/00/837647100.db2.gz CSVNTUFPWKHWPY-QLFBSQMISA-N 2 2 368.869 0.093 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2OC)CC1 ZINC001082384118 840376281 /nfs/dbraw/zinc/37/62/81/840376281.db2.gz DRLYVKHCGVNHSO-IAGOWNOFSA-N 2 2 362.499 0.804 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2OC)CC1 ZINC001082384118 840376296 /nfs/dbraw/zinc/37/62/96/840376296.db2.gz DRLYVKHCGVNHSO-IAGOWNOFSA-N 2 2 362.499 0.804 20 30 FCEDLP C=C(Cl)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404755 843914603 /nfs/dbraw/zinc/91/46/03/843914603.db2.gz TWOATIXAKSYMAH-GDBMZVCRSA-N 2 2 359.898 0.743 20 30 FCEDLP C=C(Cl)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404755 843914606 /nfs/dbraw/zinc/91/46/06/843914606.db2.gz TWOATIXAKSYMAH-GDBMZVCRSA-N 2 2 359.898 0.743 20 30 FCEDLP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404755 843914611 /nfs/dbraw/zinc/91/46/11/843914611.db2.gz TWOATIXAKSYMAH-GDBMZVCRSA-N 2 2 359.898 0.743 20 30 FCEDLP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404755 843914614 /nfs/dbraw/zinc/91/46/14/843914614.db2.gz TWOATIXAKSYMAH-GDBMZVCRSA-N 2 2 359.898 0.743 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616293 845929601 /nfs/dbraw/zinc/92/96/01/845929601.db2.gz BHXBCVQSVCNSAF-FPCVCCKLSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616293 845929605 /nfs/dbraw/zinc/92/96/05/845929605.db2.gz BHXBCVQSVCNSAF-FPCVCCKLSA-N 2 2 354.470 0.690 20 30 FCEDLP C=CCOC(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C2)CC1 ZINC001157565283 849981273 /nfs/dbraw/zinc/98/12/73/849981273.db2.gz YLNCWOUGEORYIJ-GJZGRUSLSA-N 2 2 350.463 0.703 20 30 FCEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836730 862124587 /nfs/dbraw/zinc/12/45/87/862124587.db2.gz QHDGHYKHADBQMY-SJLPKXTDSA-N 2 2 352.479 0.296 20 30 FCEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277836730 862124590 /nfs/dbraw/zinc/12/45/90/862124590.db2.gz QHDGHYKHADBQMY-SJLPKXTDSA-N 2 2 352.479 0.296 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107448 851646812 /nfs/dbraw/zinc/64/68/12/851646812.db2.gz PIOWUSVRXQONDG-HRCADAONSA-N 2 2 354.470 0.501 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107448 851646817 /nfs/dbraw/zinc/64/68/17/851646817.db2.gz PIOWUSVRXQONDG-HRCADAONSA-N 2 2 354.470 0.501 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102003 852354976 /nfs/dbraw/zinc/35/49/76/852354976.db2.gz AKEHBTZXHOTNPZ-BZUAXINKSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102003 852354983 /nfs/dbraw/zinc/35/49/83/852354983.db2.gz AKEHBTZXHOTNPZ-BZUAXINKSA-N 2 2 350.463 0.761 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401096 854464252 /nfs/dbraw/zinc/46/42/52/854464252.db2.gz FCBWRGAQXKMFRJ-RCCFBDPRSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401096 854464254 /nfs/dbraw/zinc/46/42/54/854464254.db2.gz FCBWRGAQXKMFRJ-RCCFBDPRSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401096 854464256 /nfs/dbraw/zinc/46/42/56/854464256.db2.gz FCBWRGAQXKMFRJ-RCCFBDPRSA-N 2 2 351.491 0.430 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401096 854464258 /nfs/dbraw/zinc/46/42/58/854464258.db2.gz FCBWRGAQXKMFRJ-RCCFBDPRSA-N 2 2 351.491 0.430 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482317 856147867 /nfs/dbraw/zinc/14/78/67/856147867.db2.gz MIHUVZRLGQTBII-CVEARBPZSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482317 856147869 /nfs/dbraw/zinc/14/78/69/856147869.db2.gz MIHUVZRLGQTBII-CVEARBPZSA-N 2 2 350.463 0.761 20 30 FCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235455807 857424071 /nfs/dbraw/zinc/42/40/71/857424071.db2.gz YZJRPTVHJQQQOF-QFBILLFUSA-N 2 2 350.507 0.894 20 30 FCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235455807 857424073 /nfs/dbraw/zinc/42/40/73/857424073.db2.gz YZJRPTVHJQQQOF-QFBILLFUSA-N 2 2 350.507 0.894 20 30 FCEDLP C=CCN1CC[N@@H+](C)C2(CCN(C(=S)NCC[NH+](C)C)CC2)C1=O ZINC001249833391 857650294 /nfs/dbraw/zinc/65/02/94/857650294.db2.gz RNKREAQIYVVXML-UHFFFAOYSA-N 2 2 353.536 0.217 20 30 FCEDLP C=CCN1CC[N@H+](C)C2(CCN(C(=S)NCC[NH+](C)C)CC2)C1=O ZINC001249833391 857650301 /nfs/dbraw/zinc/65/03/01/857650301.db2.gz RNKREAQIYVVXML-UHFFFAOYSA-N 2 2 353.536 0.217 20 30 FCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001251836013 857756928 /nfs/dbraw/zinc/75/69/28/857756928.db2.gz SSKFAESEENMISY-SFHVURJKSA-N 2 2 352.475 0.737 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCOCC1 ZINC001346496103 871866092 /nfs/dbraw/zinc/86/60/92/871866092.db2.gz AVTBSMHIPCQZJA-UHFFFAOYSA-N 2 2 351.495 0.974 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCOCC1 ZINC001346496103 871866105 /nfs/dbraw/zinc/86/61/05/871866105.db2.gz AVTBSMHIPCQZJA-UHFFFAOYSA-N 2 2 351.495 0.974 20 30 FCEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000174863461 529775669 /nfs/dbraw/zinc/77/56/69/529775669.db2.gz FMSDRTHVYCYZQI-UHFFFAOYSA-N 2 2 357.524 0.426 20 30 FCEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861022 208042489 /nfs/dbraw/zinc/04/24/89/208042489.db2.gz MEUOUTOXOXEZLC-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861022 208042493 /nfs/dbraw/zinc/04/24/93/208042493.db2.gz MEUOUTOXOXEZLC-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861022 208042498 /nfs/dbraw/zinc/04/24/98/208042498.db2.gz MEUOUTOXOXEZLC-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072861022 208042503 /nfs/dbraw/zinc/04/25/03/208042503.db2.gz MEUOUTOXOXEZLC-MRXNPFEDSA-N 2 2 374.489 0.777 20 30 FCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262332626 229303064 /nfs/dbraw/zinc/30/30/64/229303064.db2.gz BGPIEPUOTOTMPY-WWGRRREGSA-N 2 2 354.520 0.601 20 30 FCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262332626 229303070 /nfs/dbraw/zinc/30/30/70/229303070.db2.gz BGPIEPUOTOTMPY-WWGRRREGSA-N 2 2 354.520 0.601 20 30 FCEDLP C[C@@H]1C[NH+]=C(NCc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)N1 ZINC000262647520 229310181 /nfs/dbraw/zinc/31/01/81/229310181.db2.gz JOKNAMJPBZPMEV-CYBMUJFWSA-N 2 2 351.476 0.060 20 30 FCEDLP COC[C@@H](C)NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264071103 229321385 /nfs/dbraw/zinc/32/13/85/229321385.db2.gz DFHVSWNATPCTNT-OAHLLOKOSA-N 2 2 350.463 0.837 20 30 FCEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329087192 488967782 /nfs/dbraw/zinc/96/77/82/488967782.db2.gz HGQXOJJSUHNGTI-GDBMZVCRSA-N 2 2 358.508 0.029 20 30 FCEDLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329087192 488967786 /nfs/dbraw/zinc/96/77/86/488967786.db2.gz HGQXOJJSUHNGTI-GDBMZVCRSA-N 2 2 358.508 0.029 20 30 FCEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000129782153 488633344 /nfs/dbraw/zinc/63/33/44/488633344.db2.gz AOSUHJPGNBFWLZ-UHFFFAOYSA-N 2 2 364.515 0.901 20 30 FCEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000129782153 488633346 /nfs/dbraw/zinc/63/33/46/488633346.db2.gz AOSUHJPGNBFWLZ-UHFFFAOYSA-N 2 2 364.515 0.901 20 30 FCEDLP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000329176004 488977569 /nfs/dbraw/zinc/97/75/69/488977569.db2.gz MQZCETJLEONLJM-MRXNPFEDSA-N 2 2 366.466 0.023 20 30 FCEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000329254696 488986160 /nfs/dbraw/zinc/98/61/60/488986160.db2.gz ZYGHJUXXNAVUGG-FGTMMUONSA-N 2 2 367.538 0.579 20 30 FCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CCOC[C@@H]3C2)C1 ZINC000329468985 489006988 /nfs/dbraw/zinc/00/69/88/489006988.db2.gz XFBPBSCBHNDAQK-DLBZAZTESA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CCOC[C@@H]3C2)C1 ZINC000329468985 489006990 /nfs/dbraw/zinc/00/69/90/489006990.db2.gz XFBPBSCBHNDAQK-DLBZAZTESA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)C1 ZINC000329468985 489006993 /nfs/dbraw/zinc/00/69/93/489006993.db2.gz XFBPBSCBHNDAQK-DLBZAZTESA-N 2 2 354.495 0.316 20 30 FCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)C1 ZINC000329468985 489006995 /nfs/dbraw/zinc/00/69/95/489006995.db2.gz XFBPBSCBHNDAQK-DLBZAZTESA-N 2 2 354.495 0.316 20 30 FCEDLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H](C)O1 ZINC000329479407 489008699 /nfs/dbraw/zinc/00/86/99/489008699.db2.gz QLZAHUWSSVMRQR-ZJPYXAASSA-N 2 2 367.538 0.720 20 30 FCEDLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000329479407 489008701 /nfs/dbraw/zinc/00/87/01/489008701.db2.gz QLZAHUWSSVMRQR-ZJPYXAASSA-N 2 2 367.538 0.720 20 30 FCEDLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329949923 489053451 /nfs/dbraw/zinc/05/34/51/489053451.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 2 356.467 0.585 20 30 FCEDLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329949923 489053453 /nfs/dbraw/zinc/05/34/53/489053453.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 2 356.467 0.585 20 30 FCEDLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329949923 489053458 /nfs/dbraw/zinc/05/34/58/489053458.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 2 356.467 0.585 20 30 FCEDLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329949923 489053461 /nfs/dbraw/zinc/05/34/61/489053461.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 2 356.467 0.585 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000330125210 489071775 /nfs/dbraw/zinc/07/17/75/489071775.db2.gz LVHQLYMCDOXIBI-MRXNPFEDSA-N 2 2 374.489 0.872 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000330125210 489071778 /nfs/dbraw/zinc/07/17/78/489071778.db2.gz LVHQLYMCDOXIBI-MRXNPFEDSA-N 2 2 374.489 0.872 20 30 FCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330246045 489084172 /nfs/dbraw/zinc/08/41/72/489084172.db2.gz DZRBOXSHIVEIRX-HUUCEWRRSA-N 2 2 360.462 0.350 20 30 FCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330246045 489084175 /nfs/dbraw/zinc/08/41/75/489084175.db2.gz DZRBOXSHIVEIRX-HUUCEWRRSA-N 2 2 360.462 0.350 20 30 FCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000331451489 489213400 /nfs/dbraw/zinc/21/34/00/489213400.db2.gz CYCWHBYFGOPXBF-UHFFFAOYSA-N 2 2 369.469 0.983 20 30 FCEDLP C#CCC[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000299344672 489433693 /nfs/dbraw/zinc/43/36/93/489433693.db2.gz STJJTTIWAIEEMM-UHFFFAOYSA-N 2 2 372.513 0.492 20 30 FCEDLP COCC1(C#N)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000500415629 490512049 /nfs/dbraw/zinc/51/20/49/490512049.db2.gz QYLHGBSKDIXVEJ-UHFFFAOYSA-N 2 2 351.495 0.974 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423016024 490519019 /nfs/dbraw/zinc/51/90/19/490519019.db2.gz SDJYRWIAXNPELK-OAHLLOKOSA-N 2 2 355.442 0.023 20 30 FCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515033773 490804451 /nfs/dbraw/zinc/80/44/51/490804451.db2.gz IESYQMWNSFCVBC-HZPDHXFCSA-N 2 2 363.487 0.815 20 30 FCEDLP C[NH+]1CCC(C#N)(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000530577155 490914094 /nfs/dbraw/zinc/91/40/94/490914094.db2.gz RXXRRXLPAKUYFA-UHFFFAOYSA-N 2 2 356.474 0.698 20 30 FCEDLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601580731 491936196 /nfs/dbraw/zinc/93/61/96/491936196.db2.gz AJVHKWRTUFRIBC-PBHICJAKSA-N 2 2 355.442 0.151 20 30 FCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609550813 492213283 /nfs/dbraw/zinc/21/32/83/492213283.db2.gz ZVWNYROMHPZEAZ-IBGZPJMESA-N 2 2 370.501 0.631 20 30 FCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609550813 492213286 /nfs/dbraw/zinc/21/32/86/492213286.db2.gz ZVWNYROMHPZEAZ-IBGZPJMESA-N 2 2 370.501 0.631 20 30 FCEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@@H](COC)C1 ZINC000261799940 526351337 /nfs/dbraw/zinc/35/13/37/526351337.db2.gz GXKPARKXZADKBU-QGZVFWFLSA-N 2 2 368.522 0.944 20 30 FCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179085711 526355992 /nfs/dbraw/zinc/35/59/92/526355992.db2.gz GZXLXGPLKNFAAG-QGZVFWFLSA-N 3 2 367.538 0.327 20 30 FCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179085711 526355993 /nfs/dbraw/zinc/35/59/93/526355993.db2.gz GZXLXGPLKNFAAG-QGZVFWFLSA-N 3 2 367.538 0.327 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262777813 526359406 /nfs/dbraw/zinc/35/94/06/526359406.db2.gz JYBCTLHTQJOVTP-HNNXBMFYSA-N 2 2 363.535 0.659 20 30 FCEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261838020 526364367 /nfs/dbraw/zinc/36/43/67/526364367.db2.gz VYWMDSGGTUXXLM-KRWDZBQOSA-N 3 2 374.533 0.991 20 30 FCEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261746027 526378849 /nfs/dbraw/zinc/37/88/49/526378849.db2.gz MXVMRNLZZPGAAW-FUHWJXTLSA-N 3 2 369.579 0.653 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301145 526586585 /nfs/dbraw/zinc/58/65/85/526586585.db2.gz CBVKKGUSSJAAJJ-IBGZPJMESA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301145 526586589 /nfs/dbraw/zinc/58/65/89/526586589.db2.gz CBVKKGUSSJAAJJ-IBGZPJMESA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301145 526586595 /nfs/dbraw/zinc/58/65/95/526586595.db2.gz CBVKKGUSSJAAJJ-IBGZPJMESA-N 2 2 360.458 0.567 20 30 FCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301145 526586597 /nfs/dbraw/zinc/58/65/97/526586597.db2.gz CBVKKGUSSJAAJJ-IBGZPJMESA-N 2 2 360.458 0.567 20 30 FCEDLP CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000409567356 528705782 /nfs/dbraw/zinc/70/57/82/528705782.db2.gz MLIFGSHLXCYIDE-OAHLLOKOSA-N 2 2 359.540 0.671 20 30 FCEDLP CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409567356 528705787 /nfs/dbraw/zinc/70/57/87/528705787.db2.gz MLIFGSHLXCYIDE-OAHLLOKOSA-N 2 2 359.540 0.671 20 30 FCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000884199840 673436334 /nfs/dbraw/zinc/43/63/34/673436334.db2.gz LYHHCNDJAROZKS-LSCKAKRGSA-N 2 2 364.515 0.450 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC000988505562 1192235775 /nfs/dbraw/zinc/23/57/75/1192235775.db2.gz ANJUTKLDRMHHPN-WBVHZDCISA-N 2 2 371.485 0.793 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112501167 1170027372 /nfs/dbraw/zinc/02/73/72/1170027372.db2.gz NIAHJNVQPPEFSV-LPHOPBHVSA-N 2 2 359.474 0.794 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691233178 1170875487 /nfs/dbraw/zinc/87/54/87/1170875487.db2.gz ANVPKWMZHYJZMF-HRCADAONSA-N 2 2 357.458 0.069 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)CC1 ZINC000989499837 1192874964 /nfs/dbraw/zinc/87/49/64/1192874964.db2.gz WNFDIJAFHBEZGI-ZBFHGGJFSA-N 2 2 357.458 0.403 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001691557274 1192876562 /nfs/dbraw/zinc/87/65/62/1192876562.db2.gz VTQLYPCOLYYABU-RBUKOAKNSA-N 2 2 370.497 0.662 20 30 FCEDLP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001691557274 1192876563 /nfs/dbraw/zinc/87/65/63/1192876563.db2.gz VTQLYPCOLYYABU-RBUKOAKNSA-N 2 2 370.497 0.662 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001691557274 1192876565 /nfs/dbraw/zinc/87/65/65/1192876565.db2.gz VTQLYPCOLYYABU-RBUKOAKNSA-N 2 2 370.497 0.662 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001691557274 1192876568 /nfs/dbraw/zinc/87/65/68/1192876568.db2.gz VTQLYPCOLYYABU-RBUKOAKNSA-N 2 2 370.497 0.662 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC1 ZINC001083283676 1182498969 /nfs/dbraw/zinc/49/89/69/1182498969.db2.gz NKWRVYIAVSITLX-RBUKOAKNSA-N 2 2 371.485 0.177 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000584658438 1183073705 /nfs/dbraw/zinc/07/37/05/1183073705.db2.gz QCQOFZJVTZDVCU-QGZVFWFLSA-N 2 2 358.442 0.828 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696728 1186267721 /nfs/dbraw/zinc/26/77/21/1186267721.db2.gz NAIXMOIIASVLTG-DLBZAZTESA-N 2 2 365.437 0.286 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536231 1188354579 /nfs/dbraw/zinc/35/45/79/1188354579.db2.gz YITBDTGFDYYJSI-DOXZYTNZSA-N 2 2 357.458 0.308 20 30 FCEDLP C[NH2+][C@H]1C[C@H](Oc2ccc(C[C@H]([NH3+])C(=O)ON3C(=O)CCC3=O)cc2)C1 ZINC001217955538 1224133309 /nfs/dbraw/zinc/13/33/09/1224133309.db2.gz VYAXVXVNFKXCGC-QEJZJMRPSA-N 2 2 361.398 0.293 20 30 FCEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764483 1224133954 /nfs/dbraw/zinc/13/39/54/1224133954.db2.gz VZMIVQQNVVKDTA-IBGZPJMESA-N 2 2 362.474 0.178 20 30 FCEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764483 1224133957 /nfs/dbraw/zinc/13/39/57/1224133957.db2.gz VZMIVQQNVVKDTA-IBGZPJMESA-N 2 2 362.474 0.178 20 30 FCEDLP C[C@@H]1C[C@H](Oc2ccc(C[C@H]([NH3+])C(=O)ON3C(=O)CCC3=O)cc2)C[NH2+]1 ZINC001218047799 1224137044 /nfs/dbraw/zinc/13/70/44/1224137044.db2.gz DOAWEUJBCPUEFL-UGFHNGPFSA-N 2 2 361.398 0.293 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218143070 1224142710 /nfs/dbraw/zinc/14/27/10/1224142710.db2.gz MXIXTALOWZBWJE-VDERGJSUSA-N 2 2 373.409 0.293 20 30 FCEDLP [NH3+][C@@H](Cc1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218494672 1224162889 /nfs/dbraw/zinc/16/28/89/1224162889.db2.gz ZNLPNEQMXNQKHB-ARLBYUKCSA-N 2 2 373.409 0.293 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001691764600 1193772231 /nfs/dbraw/zinc/77/22/31/1193772231.db2.gz COUXZMXYRCKCJV-HHXXYDBFSA-N 2 2 356.470 0.618 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001691764600 1193772234 /nfs/dbraw/zinc/77/22/34/1193772234.db2.gz COUXZMXYRCKCJV-HHXXYDBFSA-N 2 2 356.470 0.618 20 30 FCEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666643 1193897446 /nfs/dbraw/zinc/89/74/46/1193897446.db2.gz HOPSZYKXEJIKSN-HNBVOPMISA-N 2 2 358.486 0.952 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001276794519 1224211928 /nfs/dbraw/zinc/21/19/28/1224211928.db2.gz LSNNKJCVYDVDOZ-VQIMIIECSA-N 2 2 366.506 0.590 20 30 FCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001276794519 1224211934 /nfs/dbraw/zinc/21/19/34/1224211934.db2.gz LSNNKJCVYDVDOZ-VQIMIIECSA-N 2 2 366.506 0.590 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077159069 1195281128 /nfs/dbraw/zinc/28/11/28/1195281128.db2.gz MUNMYIAOWFDYDK-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077159069 1195281131 /nfs/dbraw/zinc/28/11/31/1195281131.db2.gz MUNMYIAOWFDYDK-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077159069 1195281139 /nfs/dbraw/zinc/28/11/39/1195281139.db2.gz MUNMYIAOWFDYDK-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077159069 1195281143 /nfs/dbraw/zinc/28/11/43/1195281143.db2.gz MUNMYIAOWFDYDK-HSALFYBXSA-N 2 2 371.481 0.633 20 30 FCEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219066032 1224334260 /nfs/dbraw/zinc/33/42/60/1224334260.db2.gz VPHSIPQUEHECDE-RBUKOAKNSA-N 2 2 363.502 0.814 20 30 FCEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219066032 1224334267 /nfs/dbraw/zinc/33/42/67/1224334267.db2.gz VPHSIPQUEHECDE-RBUKOAKNSA-N 2 2 363.502 0.814 20 30 FCEDLP CN(C)c1nc(N2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)cc[nH+]1 ZINC000592499758 1196629103 /nfs/dbraw/zinc/62/91/03/1196629103.db2.gz GCPMSSRZWICEIG-CQSZACIVSA-N 2 2 367.461 0.475 20 30 FCEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000593918948 1196840485 /nfs/dbraw/zinc/84/04/85/1196840485.db2.gz LYABSMLEQOQCQU-UHFFFAOYSA-N 2 2 355.442 0.071 20 30 FCEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991972237 1196889728 /nfs/dbraw/zinc/88/97/28/1196889728.db2.gz FWNSUPSMDFRBTI-LXZJYRNTSA-N 2 2 361.486 0.613 20 30 FCEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991972237 1196889729 /nfs/dbraw/zinc/88/97/29/1196889729.db2.gz FWNSUPSMDFRBTI-LXZJYRNTSA-N 2 2 361.486 0.613 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CC ZINC001085229751 1197716118 /nfs/dbraw/zinc/71/61/18/1197716118.db2.gz IRPACZMIVQRGNL-ZACQAIPSSA-N 2 2 358.490 0.913 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CC ZINC001085229751 1197716129 /nfs/dbraw/zinc/71/61/29/1197716129.db2.gz IRPACZMIVQRGNL-ZACQAIPSSA-N 2 2 358.490 0.913 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC)n1 ZINC001085229859 1197716311 /nfs/dbraw/zinc/71/63/11/1197716311.db2.gz NRYXWZYVXBEPIF-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC)n1 ZINC001085229859 1197716315 /nfs/dbraw/zinc/71/63/15/1197716315.db2.gz NRYXWZYVXBEPIF-KURKYZTESA-N 2 2 358.490 0.913 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106461098 1197940258 /nfs/dbraw/zinc/94/02/58/1197940258.db2.gz JYOFNQWPTAMSRZ-MKXGPGLRSA-N 2 2 363.502 0.574 20 30 FCEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109399849 1200247587 /nfs/dbraw/zinc/24/75/87/1200247587.db2.gz ZJTXWTIEEQSOBE-YVSFHVDLSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC#N ZINC001109399849 1200247593 /nfs/dbraw/zinc/24/75/93/1200247593.db2.gz ZJTXWTIEEQSOBE-YVSFHVDLSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109399849 1200247597 /nfs/dbraw/zinc/24/75/97/1200247597.db2.gz ZJTXWTIEEQSOBE-YVSFHVDLSA-N 2 2 361.490 0.611 20 30 FCEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109399849 1200247605 /nfs/dbraw/zinc/24/76/05/1200247605.db2.gz ZJTXWTIEEQSOBE-YVSFHVDLSA-N 2 2 361.490 0.611 20 30 FCEDLP C#CCNC(=O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769024422 1200257251 /nfs/dbraw/zinc/25/72/51/1200257251.db2.gz FSRVJEODUUHYRZ-UHFFFAOYSA-N 2 2 356.474 0.190 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520612 1200358064 /nfs/dbraw/zinc/35/80/64/1200358064.db2.gz VFZDLZYPYJFCMB-PVAVHDDUSA-N 2 2 353.426 0.972 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520612 1200358071 /nfs/dbraw/zinc/35/80/71/1200358071.db2.gz VFZDLZYPYJFCMB-PVAVHDDUSA-N 2 2 353.426 0.972 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798277 1200522199 /nfs/dbraw/zinc/52/21/99/1200522199.db2.gz CSTXYPXKQMTZJJ-OWSLCNJRSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798277 1200522214 /nfs/dbraw/zinc/52/22/14/1200522214.db2.gz CSTXYPXKQMTZJJ-OWSLCNJRSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798277 1200522221 /nfs/dbraw/zinc/52/22/21/1200522221.db2.gz CSTXYPXKQMTZJJ-OWSLCNJRSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590129 1200829030 /nfs/dbraw/zinc/82/90/30/1200829030.db2.gz FPVUPBMUMKDEBA-PXNSSMCTSA-N 2 2 371.485 0.631 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129460718 1201326993 /nfs/dbraw/zinc/32/69/93/1201326993.db2.gz MXFPUYCMHCDWQR-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129460718 1201326998 /nfs/dbraw/zinc/32/69/98/1201326998.db2.gz MXFPUYCMHCDWQR-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130622151 1202734271 /nfs/dbraw/zinc/73/42/71/1202734271.db2.gz TWBQLNMIZRFNNB-HHXXYDBFSA-N 2 2 366.469 0.787 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637822 1202741007 /nfs/dbraw/zinc/74/10/07/1202741007.db2.gz NDZODNQHCFQCEX-FUHWJXTLSA-N 2 2 370.457 0.241 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079265 1202859713 /nfs/dbraw/zinc/85/97/13/1202859713.db2.gz IBWAWUDOEOFQOS-HZPDHXFCSA-N 2 2 358.446 0.473 20 30 FCEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048794 1203148183 /nfs/dbraw/zinc/14/81/83/1203148183.db2.gz BSKUWRJCHBUNDD-RUNIHZNKSA-N 2 2 358.442 0.595 20 30 FCEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000819048794 1203148184 /nfs/dbraw/zinc/14/81/84/1203148184.db2.gz BSKUWRJCHBUNDD-RUNIHZNKSA-N 2 2 358.442 0.595 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092299738 1205233116 /nfs/dbraw/zinc/23/31/16/1205233116.db2.gz FYENRJSRFBMCEX-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092299738 1205233122 /nfs/dbraw/zinc/23/31/22/1205233122.db2.gz FYENRJSRFBMCEX-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093455216 1206088526 /nfs/dbraw/zinc/08/85/26/1206088526.db2.gz LMDFECMRUFQMIL-XNFNUYLZSA-N 2 2 358.486 0.952 20 30 FCEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299475 1206215839 /nfs/dbraw/zinc/21/58/39/1206215839.db2.gz FURYAXXHKOUHNJ-RHSMWYFYSA-N 2 2 362.478 0.436 20 30 FCEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299475 1206215840 /nfs/dbraw/zinc/21/58/40/1206215840.db2.gz FURYAXXHKOUHNJ-RHSMWYFYSA-N 2 2 362.478 0.436 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455763 1207457656 /nfs/dbraw/zinc/45/76/56/1207457656.db2.gz FBAONRRAAKRMQK-GOEBONIOSA-N 2 2 352.398 0.120 20 30 FCEDLP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455763 1207457658 /nfs/dbraw/zinc/45/76/58/1207457658.db2.gz FBAONRRAAKRMQK-GOEBONIOSA-N 2 2 352.398 0.120 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189275323 1207530071 /nfs/dbraw/zinc/53/00/71/1207530071.db2.gz ABODMCRGTKFVHT-IXDOHACOSA-N 2 2 371.485 0.677 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189275323 1207530072 /nfs/dbraw/zinc/53/00/72/1207530072.db2.gz ABODMCRGTKFVHT-IXDOHACOSA-N 2 2 371.485 0.677 20 30 FCEDLP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001189310581 1207531384 /nfs/dbraw/zinc/53/13/84/1207531384.db2.gz FYVZKFOMUYQXTA-YESZJQIVSA-N 2 2 361.490 0.423 20 30 FCEDLP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001189310581 1207531387 /nfs/dbraw/zinc/53/13/87/1207531387.db2.gz FYVZKFOMUYQXTA-YESZJQIVSA-N 2 2 361.490 0.423 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176144 1207657481 /nfs/dbraw/zinc/65/74/81/1207657481.db2.gz CHUKQYBDMRKSJL-ZWKOTPCHSA-N 2 2 371.485 0.925 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176144 1207657485 /nfs/dbraw/zinc/65/74/85/1207657485.db2.gz CHUKQYBDMRKSJL-ZWKOTPCHSA-N 2 2 371.485 0.925 20 30 FCEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220683722 1225011759 /nfs/dbraw/zinc/01/17/59/1225011759.db2.gz YOCDKVXFTJGBER-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220683722 1225011764 /nfs/dbraw/zinc/01/17/64/1225011764.db2.gz YOCDKVXFTJGBER-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220683722 1225011771 /nfs/dbraw/zinc/01/17/71/1225011771.db2.gz YOCDKVXFTJGBER-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1O ZINC001220683722 1225011780 /nfs/dbraw/zinc/01/17/80/1225011780.db2.gz YOCDKVXFTJGBER-SJORKVTESA-N 2 2 360.458 0.570 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486302 1207686575 /nfs/dbraw/zinc/68/65/75/1207686575.db2.gz AETOEIPPDTXODH-OKZBNKHCSA-N 2 2 371.485 0.983 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486302 1207686582 /nfs/dbraw/zinc/68/65/82/1207686582.db2.gz AETOEIPPDTXODH-OKZBNKHCSA-N 2 2 371.485 0.983 20 30 FCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(C#N)o3)CC2)C1=O ZINC001192674719 1207841621 /nfs/dbraw/zinc/84/16/21/1207841621.db2.gz BRACDNVLIKVNIT-UHFFFAOYSA-N 2 2 373.457 0.462 20 30 FCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(C#N)o3)CC2)C1=O ZINC001192674719 1207841623 /nfs/dbraw/zinc/84/16/23/1207841623.db2.gz BRACDNVLIKVNIT-UHFFFAOYSA-N 2 2 373.457 0.462 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192978011 1207855912 /nfs/dbraw/zinc/85/59/12/1207855912.db2.gz NOYBHVJOLLJPOX-BHIYHBOVSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192978011 1207855913 /nfs/dbraw/zinc/85/59/13/1207855913.db2.gz NOYBHVJOLLJPOX-BHIYHBOVSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192978011 1207855915 /nfs/dbraw/zinc/85/59/15/1207855915.db2.gz NOYBHVJOLLJPOX-BHIYHBOVSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192978011 1207855916 /nfs/dbraw/zinc/85/59/16/1207855916.db2.gz NOYBHVJOLLJPOX-BHIYHBOVSA-N 2 2 363.502 0.452 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821731 1207892748 /nfs/dbraw/zinc/89/27/48/1207892748.db2.gz REFGOXCLNIKOKA-IAGOWNOFSA-N 2 2 366.506 0.057 20 30 FCEDLP 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C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000884045527 1210711133 /nfs/dbraw/zinc/71/11/33/1210711133.db2.gz XFIMKVWSDJHVLG-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000884045527 1210711137 /nfs/dbraw/zinc/71/11/37/1210711137.db2.gz XFIMKVWSDJHVLG-GOSISDBHSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000886361688 1210828505 /nfs/dbraw/zinc/82/85/05/1210828505.db2.gz RLSVQGJXVIUHRT-HNNXBMFYSA-N 2 2 367.457 0.357 20 30 FCEDLP C#CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000886361688 1210828508 /nfs/dbraw/zinc/82/85/08/1210828508.db2.gz RLSVQGJXVIUHRT-HNNXBMFYSA-N 2 2 367.457 0.357 20 30 FCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001110934719 1211591968 /nfs/dbraw/zinc/59/19/68/1211591968.db2.gz LJXITYQNJZEQAQ-VQHPVUNQSA-N 2 2 361.490 0.470 20 30 FCEDLP 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C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111914188 1221165831 /nfs/dbraw/zinc/16/58/31/1221165831.db2.gz WOWCPRFYANQKFZ-PXNSSMCTSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111914188 1221165832 /nfs/dbraw/zinc/16/58/32/1221165832.db2.gz WOWCPRFYANQKFZ-PXNSSMCTSA-N 2 2 360.502 0.438 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112328538 1221239102 /nfs/dbraw/zinc/23/91/02/1221239102.db2.gz KVAWAZZJSVEQBC-GUXCAODWSA-N 2 2 371.485 0.699 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000832948989 1222546827 /nfs/dbraw/zinc/54/68/27/1222546827.db2.gz CDYFGAVRCWKVEK-QYZOEREBSA-N 2 2 372.513 0.583 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000832948989 1222546831 /nfs/dbraw/zinc/54/68/31/1222546831.db2.gz CDYFGAVRCWKVEK-QYZOEREBSA-N 2 2 372.513 0.583 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000832948989 1222546835 /nfs/dbraw/zinc/54/68/35/1222546835.db2.gz CDYFGAVRCWKVEK-QYZOEREBSA-N 2 2 372.513 0.583 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000832948989 1222546838 /nfs/dbraw/zinc/54/68/38/1222546838.db2.gz CDYFGAVRCWKVEK-QYZOEREBSA-N 2 2 372.513 0.583 20 30 FCEDLP COC(=O)[C@H](C#N)c1nc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209582 1223090547 /nfs/dbraw/zinc/09/05/47/1223090547.db2.gz YVCZJUJRWNUWFZ-DGCLKSJQSA-N 2 2 366.381 0.458 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207967287 1223500988 /nfs/dbraw/zinc/50/09/88/1223500988.db2.gz WQRPMDPMUZYWNF-CRAIPNDOSA-N 2 2 353.426 0.967 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209497996 1223625310 /nfs/dbraw/zinc/62/53/10/1223625310.db2.gz BTDHHSZLZFVAPK-BFYDXBDKSA-N 2 2 359.474 0.546 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209497996 1223625313 /nfs/dbraw/zinc/62/53/13/1223625313.db2.gz BTDHHSZLZFVAPK-BFYDXBDKSA-N 2 2 359.474 0.546 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000891607099 1245458051 /nfs/dbraw/zinc/45/80/51/1245458051.db2.gz MAXRDMXVTHNGOK-INIZCTEOSA-N 2 2 372.469 0.909 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000891607099 1245458052 /nfs/dbraw/zinc/45/80/52/1245458052.db2.gz MAXRDMXVTHNGOK-INIZCTEOSA-N 2 2 372.469 0.909 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331766 1245709758 /nfs/dbraw/zinc/70/97/58/1245709758.db2.gz FZTLKMISKRDTDR-DLBZAZTESA-N 2 2 358.442 0.194 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923331766 1245709763 /nfs/dbraw/zinc/70/97/63/1245709763.db2.gz FZTLKMISKRDTDR-DLBZAZTESA-N 2 2 358.442 0.194 20 30 FCEDLP N#CC[C@@]1(O)CC[NH+](Cc2cncc(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC001328181319 1265498345 /nfs/dbraw/zinc/49/83/45/1265498345.db2.gz ITWXCRRCWQBBTM-RTBURBONSA-N 2 2 355.442 0.783 20 30 FCEDLP N#CC[C@@]1(O)CC[NH+](Cc2cncc(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC001328181319 1265498350 /nfs/dbraw/zinc/49/83/50/1265498350.db2.gz ITWXCRRCWQBBTM-RTBURBONSA-N 2 2 355.442 0.783 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C ZINC000997774380 1251700232 /nfs/dbraw/zinc/70/02/32/1251700232.db2.gz NRAMHUFENYNBAR-WKULXVSPSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC)[NH+](C)C ZINC000997774380 1251700237 /nfs/dbraw/zinc/70/02/37/1251700237.db2.gz NRAMHUFENYNBAR-WKULXVSPSA-N 2 2 360.502 0.672 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC000997773993 1251700626 /nfs/dbraw/zinc/70/06/26/1251700626.db2.gz JSORRLQHMYITIS-XWSJACJDSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC000997773993 1251700634 /nfs/dbraw/zinc/70/06/34/1251700634.db2.gz JSORRLQHMYITIS-XWSJACJDSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C1CCC1 ZINC000997773993 1251700638 /nfs/dbraw/zinc/70/06/38/1251700638.db2.gz JSORRLQHMYITIS-XWSJACJDSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C1CCC1 ZINC000997773993 1251700649 /nfs/dbraw/zinc/70/06/49/1251700649.db2.gz JSORRLQHMYITIS-XWSJACJDSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000997775675 1251701499 /nfs/dbraw/zinc/70/14/99/1251701499.db2.gz ZZBPIZLBIYMZEJ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000997775675 1251701509 /nfs/dbraw/zinc/70/15/09/1251701509.db2.gz ZZBPIZLBIYMZEJ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[NH+]1C ZINC000997775675 1251701520 /nfs/dbraw/zinc/70/15/20/1251701520.db2.gz ZZBPIZLBIYMZEJ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[NH+]1C ZINC000997775675 1251701525 /nfs/dbraw/zinc/70/15/25/1251701525.db2.gz ZZBPIZLBIYMZEJ-BCYZHJNNSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC001003676405 1253055249 /nfs/dbraw/zinc/05/52/49/1253055249.db2.gz JSORRLQHMYITIS-YRXWBPOGSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC001003676405 1253055259 /nfs/dbraw/zinc/05/52/59/1253055259.db2.gz JSORRLQHMYITIS-YRXWBPOGSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C1CCC1 ZINC001003676405 1253055271 /nfs/dbraw/zinc/05/52/71/1253055271.db2.gz JSORRLQHMYITIS-YRXWBPOGSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C1CCC1 ZINC001003676405 1253055276 /nfs/dbraw/zinc/05/52/76/1253055276.db2.gz JSORRLQHMYITIS-YRXWBPOGSA-N 2 2 372.513 0.816 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2O)CC1 ZINC001078227039 1255340216 /nfs/dbraw/zinc/34/02/16/1255340216.db2.gz GKOWZGPIUJHZFQ-ATZDWAIDSA-N 2 2 371.485 0.353 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2O)CC1 ZINC001078227039 1255340224 /nfs/dbraw/zinc/34/02/24/1255340224.db2.gz GKOWZGPIUJHZFQ-ATZDWAIDSA-N 2 2 371.485 0.353 20 30 FCEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270258 1255496656 /nfs/dbraw/zinc/49/66/56/1255496656.db2.gz JRAXPFVLJPHKNO-ZWKOTPCHSA-N 2 2 356.470 0.925 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC001330465615 1266033157 /nfs/dbraw/zinc/03/31/57/1266033157.db2.gz GSDVIHASEOKNLN-HZPDHXFCSA-N 2 2 366.506 0.321 20 30 FCEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC001330465615 1266033166 /nfs/dbraw/zinc/03/31/66/1266033166.db2.gz GSDVIHASEOKNLN-HZPDHXFCSA-N 2 2 366.506 0.321 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082568026 1256873653 /nfs/dbraw/zinc/87/36/53/1256873653.db2.gz SUFCWVTVCVAJHY-BMFZPTHFSA-N 2 2 357.462 0.042 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082568026 1256873669 /nfs/dbraw/zinc/87/36/69/1256873669.db2.gz SUFCWVTVCVAJHY-BMFZPTHFSA-N 2 2 357.462 0.042 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001082860824 1257111959 /nfs/dbraw/zinc/11/19/59/1257111959.db2.gz PJEQEHAZSVWPNB-QLFBSQMISA-N 2 2 359.474 0.911 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084089613 1257913863 /nfs/dbraw/zinc/91/38/63/1257913863.db2.gz SROOUKMKKWZUNX-RTWAWAEBSA-N 2 2 365.477 0.545 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084089613 1257913869 /nfs/dbraw/zinc/91/38/69/1257913869.db2.gz SROOUKMKKWZUNX-RTWAWAEBSA-N 2 2 365.477 0.545 20 30 FCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538773 1258159634 /nfs/dbraw/zinc/15/96/34/1258159634.db2.gz SDJCJBIRSQROJI-MKXGPGLRSA-N 2 2 361.486 0.422 20 30 FCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538773 1258159637 /nfs/dbraw/zinc/15/96/37/1258159637.db2.gz SDJCJBIRSQROJI-MKXGPGLRSA-N 2 2 361.486 0.422 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938450 1259001271 /nfs/dbraw/zinc/00/12/71/1259001271.db2.gz XKOWGEDTEYCPQO-BZUAXINKSA-N 2 2 361.490 0.728 20 30 FCEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107045029 1259024000 /nfs/dbraw/zinc/02/40/00/1259024000.db2.gz VOKZGIGKSNTWGI-SUMDDJOVSA-N 2 2 371.485 0.118 20 30 FCEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107526114 1259108128 /nfs/dbraw/zinc/10/81/28/1259108128.db2.gz VDJFHVARWYZIOQ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107526114 1259108133 /nfs/dbraw/zinc/10/81/33/1259108133.db2.gz VDJFHVARWYZIOQ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107526114 1259108139 /nfs/dbraw/zinc/10/81/39/1259108139.db2.gz VDJFHVARWYZIOQ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107526114 1259108141 /nfs/dbraw/zinc/10/81/41/1259108141.db2.gz VDJFHVARWYZIOQ-NLWGTHIKSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084259 1259306805 /nfs/dbraw/zinc/30/68/05/1259306805.db2.gz GDUNGMWJLRDTDL-SJORKVTESA-N 2 2 358.490 0.906 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084259 1259306810 /nfs/dbraw/zinc/30/68/10/1259306810.db2.gz GDUNGMWJLRDTDL-SJORKVTESA-N 2 2 358.490 0.906 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084259 1259306819 /nfs/dbraw/zinc/30/68/19/1259306819.db2.gz GDUNGMWJLRDTDL-SJORKVTESA-N 2 2 358.490 0.906 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084259 1259306825 /nfs/dbraw/zinc/30/68/25/1259306825.db2.gz GDUNGMWJLRDTDL-SJORKVTESA-N 2 2 358.490 0.906 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212486796 1259522437 /nfs/dbraw/zinc/52/24/37/1259522437.db2.gz DRZRUAUPZOXZEF-BZUAXINKSA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212486796 1259522441 /nfs/dbraw/zinc/52/24/41/1259522441.db2.gz DRZRUAUPZOXZEF-BZUAXINKSA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212486796 1259522444 /nfs/dbraw/zinc/52/24/44/1259522444.db2.gz DRZRUAUPZOXZEF-BZUAXINKSA-N 2 2 366.506 0.319 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212486796 1259522448 /nfs/dbraw/zinc/52/24/48/1259522448.db2.gz DRZRUAUPZOXZEF-BZUAXINKSA-N 2 2 366.506 0.319 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234393431 1259559632 /nfs/dbraw/zinc/55/96/32/1259559632.db2.gz ZXVACRJSXCNSLS-BRWVUGGUSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234393431 1259559637 /nfs/dbraw/zinc/55/96/37/1259559637.db2.gz ZXVACRJSXCNSLS-BRWVUGGUSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234393431 1259559644 /nfs/dbraw/zinc/55/96/44/1259559644.db2.gz ZXVACRJSXCNSLS-BRWVUGGUSA-N 2 2 363.506 0.621 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234393431 1259559648 /nfs/dbraw/zinc/55/96/48/1259559648.db2.gz ZXVACRJSXCNSLS-BRWVUGGUSA-N 2 2 363.506 0.621 20 30 FCEDLP C[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2C#N)CC1 ZINC001251026541 1259733124 /nfs/dbraw/zinc/73/31/24/1259733124.db2.gz HVOURCOMHQXZSD-GOSISDBHSA-N 2 2 359.474 0.415 20 30 FCEDLP C=CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001252463673 1259790519 /nfs/dbraw/zinc/79/05/19/1259790519.db2.gz QTKIMYUFHPFKIP-QGZVFWFLSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001252463673 1259790524 /nfs/dbraw/zinc/79/05/24/1259790524.db2.gz QTKIMYUFHPFKIP-QGZVFWFLSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252463673 1259790531 /nfs/dbraw/zinc/79/05/31/1259790531.db2.gz QTKIMYUFHPFKIP-QGZVFWFLSA-N 2 2 364.490 0.853 20 30 FCEDLP C=CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252463673 1259790536 /nfs/dbraw/zinc/79/05/36/1259790536.db2.gz QTKIMYUFHPFKIP-QGZVFWFLSA-N 2 2 364.490 0.853 20 30 FCEDLP C=C[C@@](C)(O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252552848 1259796100 /nfs/dbraw/zinc/79/61/00/1259796100.db2.gz NAFIJJLZLLPYKU-QFBILLFUSA-N 2 2 364.490 0.605 20 30 FCEDLP C=C[C@@](C)(O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252552848 1259796108 /nfs/dbraw/zinc/79/61/08/1259796108.db2.gz NAFIJJLZLLPYKU-QFBILLFUSA-N 2 2 364.490 0.605 20 30 FCEDLP C#CCCN1CC[NH+](CC2(CN3CC[NH+](CCC#C)CC3)COC2)CC1 ZINC001320854330 1263870085 /nfs/dbraw/zinc/87/00/85/1263870085.db2.gz JCRUEUAPIFTVOG-UHFFFAOYSA-N 2 2 358.530 0.285 20 30 FCEDLP C#CCC[NH+]1CCN(CC2(CN3CC[NH+](CCC#C)CC3)COC2)CC1 ZINC001320854330 1263870097 /nfs/dbraw/zinc/87/00/97/1263870097.db2.gz JCRUEUAPIFTVOG-UHFFFAOYSA-N 2 2 358.530 0.285 20 30 FCEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001501882001 1264150309 /nfs/dbraw/zinc/15/03/09/1264150309.db2.gz MMGJEQHQJSPSND-QRVBRYPASA-N 2 2 363.502 0.860 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC001322783087 1264264077 /nfs/dbraw/zinc/26/40/77/1264264077.db2.gz VOPXQRIECYBMLW-DNVCBOLYSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC001322783087 1264264086 /nfs/dbraw/zinc/26/40/86/1264264086.db2.gz VOPXQRIECYBMLW-DNVCBOLYSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975633 1264306560 /nfs/dbraw/zinc/30/65/60/1264306560.db2.gz PQLXJEKYLCJOEW-GOSISDBHSA-N 2 2 368.481 0.439 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975633 1264306569 /nfs/dbraw/zinc/30/65/69/1264306569.db2.gz PQLXJEKYLCJOEW-GOSISDBHSA-N 2 2 368.481 0.439 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)CC1 ZINC001342022697 1269308047 /nfs/dbraw/zinc/30/80/47/1269308047.db2.gz RYEBLJARJYGVMK-UHFFFAOYSA-N 2 2 360.466 0.008 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC001639386773 1282784930 /nfs/dbraw/zinc/78/49/30/1282784930.db2.gz RCZSHRLSTHBFFJ-OAHLLOKOSA-N 2 2 359.478 0.729 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC001639386773 1282784936 /nfs/dbraw/zinc/78/49/36/1282784936.db2.gz RCZSHRLSTHBFFJ-OAHLLOKOSA-N 2 2 359.478 0.729 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692321938 1289446206 /nfs/dbraw/zinc/44/62/06/1289446206.db2.gz IAZDUDAQUNQLGJ-RRFJBIMHSA-N 2 2 358.446 0.514 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692321938 1289446212 /nfs/dbraw/zinc/44/62/12/1289446212.db2.gz IAZDUDAQUNQLGJ-RRFJBIMHSA-N 2 2 358.446 0.514 20 30 FCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752926830 1290616814 /nfs/dbraw/zinc/61/68/14/1290616814.db2.gz ZRUFCJZBPXQPEN-ARFHVFGLSA-N 2 2 357.458 0.481 20 30 FCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752926830 1290616821 /nfs/dbraw/zinc/61/68/21/1290616821.db2.gz ZRUFCJZBPXQPEN-ARFHVFGLSA-N 2 2 357.458 0.481 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076605901 838028085 /nfs/dbraw/zinc/02/80/85/838028085.db2.gz YQGXODZHOOTMIW-DOTOQJQBSA-N 2 2 359.499 0.916 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076605901 838028093 /nfs/dbraw/zinc/02/80/93/838028093.db2.gz YQGXODZHOOTMIW-DOTOQJQBSA-N 2 2 359.499 0.916 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2O)CC1 ZINC001078228186 839417440 /nfs/dbraw/zinc/41/74/40/839417440.db2.gz GUSLIHOQCYDURN-HZPDHXFCSA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2O)CC1 ZINC001078228186 839417444 /nfs/dbraw/zinc/41/74/44/839417444.db2.gz GUSLIHOQCYDURN-HZPDHXFCSA-N 2 2 362.499 0.458 20 30 FCEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465647 841037080 /nfs/dbraw/zinc/03/70/80/841037080.db2.gz MQLCXCWQQKYCLR-BBWFWOEESA-N 2 2 360.483 0.623 20 30 FCEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465647 841037090 /nfs/dbraw/zinc/03/70/90/841037090.db2.gz MQLCXCWQQKYCLR-BBWFWOEESA-N 2 2 360.483 0.623 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075466 846355146 /nfs/dbraw/zinc/35/51/46/846355146.db2.gz DBNRYRIWWLDKDT-MGPQQGTHSA-N 2 2 365.396 0.499 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075466 846355150 /nfs/dbraw/zinc/35/51/50/846355150.db2.gz DBNRYRIWWLDKDT-MGPQQGTHSA-N 2 2 365.396 0.499 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130790084 849043597 /nfs/dbraw/zinc/04/35/97/849043597.db2.gz GWQCAJJOWYKQCA-BFHYXJOUSA-N 2 2 350.467 0.757 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130820305 849049501 /nfs/dbraw/zinc/04/95/01/849049501.db2.gz SHZDSGUVTKSJQU-UONOGXRCSA-N 2 2 350.467 0.757 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130820305 849049506 /nfs/dbraw/zinc/04/95/06/849049506.db2.gz SHZDSGUVTKSJQU-UONOGXRCSA-N 2 2 350.467 0.757 20 30 FCEDLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131003666 849069442 /nfs/dbraw/zinc/06/94/42/849069442.db2.gz NUALDWRQRIRMSK-QLFBSQMISA-N 2 2 350.442 0.508 20 30 FCEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179098044 850955217 /nfs/dbraw/zinc/95/52/17/850955217.db2.gz ZSKPJYMQVLNTHJ-MSOLQXFVSA-N 2 2 351.491 0.766 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605271 853959459 /nfs/dbraw/zinc/95/94/59/853959459.db2.gz RFHOYHLCUZHYSR-OWCLPIDISA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605271 853959461 /nfs/dbraw/zinc/95/94/61/853959461.db2.gz RFHOYHLCUZHYSR-OWCLPIDISA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208605271 853959464 /nfs/dbraw/zinc/95/94/64/853959464.db2.gz RFHOYHLCUZHYSR-OWCLPIDISA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605271 853959467 /nfs/dbraw/zinc/95/94/67/853959467.db2.gz RFHOYHLCUZHYSR-OWCLPIDISA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375044 854185424 /nfs/dbraw/zinc/18/54/24/854185424.db2.gz XOKJJNDQRAXPOU-JFIYKMOQSA-N 2 2 350.507 0.846 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375044 854185430 /nfs/dbraw/zinc/18/54/30/854185430.db2.gz XOKJJNDQRAXPOU-JFIYKMOQSA-N 2 2 350.507 0.846 20 30 FCEDLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001215225991 855084643 /nfs/dbraw/zinc/08/46/43/855084643.db2.gz BLBFBIVFIFEFBY-KURKYZTESA-N 2 2 351.491 0.574 20 30 FCEDLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001215225991 855084646 /nfs/dbraw/zinc/08/46/46/855084646.db2.gz BLBFBIVFIFEFBY-KURKYZTESA-N 2 2 351.491 0.574 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726314 855788073 /nfs/dbraw/zinc/78/80/73/855788073.db2.gz XEPIXQQHWXJWHZ-CABCVRRESA-N 2 2 353.488 0.787 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726314 855788076 /nfs/dbraw/zinc/78/80/76/855788076.db2.gz XEPIXQQHWXJWHZ-CABCVRRESA-N 2 2 353.488 0.787 20 30 FCEDLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643860 856218311 /nfs/dbraw/zinc/21/83/11/856218311.db2.gz WFAZBCFUXOJXOX-IVCQMTBJSA-N 2 2 362.499 0.757 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221816858 856697317 /nfs/dbraw/zinc/69/73/17/856697317.db2.gz DLJIIXUBMYQCNE-HZPDHXFCSA-N 2 2 350.507 0.799 20 30 FCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221816858 856697319 /nfs/dbraw/zinc/69/73/19/856697319.db2.gz DLJIIXUBMYQCNE-HZPDHXFCSA-N 2 2 350.507 0.799 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221816858 856697321 /nfs/dbraw/zinc/69/73/21/856697321.db2.gz DLJIIXUBMYQCNE-HZPDHXFCSA-N 2 2 350.507 0.799 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221816858 856697323 /nfs/dbraw/zinc/69/73/23/856697323.db2.gz DLJIIXUBMYQCNE-HZPDHXFCSA-N 2 2 350.507 0.799 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000264926132 529833167 /nfs/dbraw/zinc/83/31/67/529833167.db2.gz LZQUORFHCHYPSB-AWEZNQCLSA-N 2 2 368.485 0.892 20 30 FCEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000264926132 529833169 /nfs/dbraw/zinc/83/31/69/529833169.db2.gz LZQUORFHCHYPSB-AWEZNQCLSA-N 2 2 368.485 0.892 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419849706 246319647 /nfs/dbraw/zinc/31/96/47/246319647.db2.gz ZBOLDIVXVCEGLE-KRWDZBQOSA-N 2 2 355.442 0.071 20 30 FCEDLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420001789 246411892 /nfs/dbraw/zinc/41/18/92/246411892.db2.gz RWZPOYIPUPXTOT-KRWDZBQOSA-N 2 2 357.458 0.302 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000423587197 247063936 /nfs/dbraw/zinc/06/39/36/247063936.db2.gz CHPIDZQJIHERHF-SFHVURJKSA-N 2 2 369.469 0.542 20 30 FCEDLP C[NH+](C)CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073078901 229152795 /nfs/dbraw/zinc/15/27/95/229152795.db2.gz URZFGHFJLQRDKV-UHFFFAOYSA-N 2 2 358.490 0.898 20 30 FCEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104154408 229161970 /nfs/dbraw/zinc/16/19/70/229161970.db2.gz WGVAJOGTMHXUBH-UHFFFAOYSA-N 3 2 367.538 0.648 20 30 FCEDLP CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261950157 229293412 /nfs/dbraw/zinc/29/34/12/229293412.db2.gz HCTNBRQSPQJASG-KBPBESRZSA-N 2 2 356.496 0.281 20 30 FCEDLP CN(C)C(=[NH+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)N(C)C ZINC000262536000 229308083 /nfs/dbraw/zinc/30/80/83/229308083.db2.gz PSVMLTGQJDMYGB-UHFFFAOYSA-N 2 2 367.519 0.602 20 30 FCEDLP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000266974157 229372473 /nfs/dbraw/zinc/37/24/73/229372473.db2.gz HQQBOIGMBSBHSN-CQSZACIVSA-N 2 2 360.380 0.803 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000087060517 488453542 /nfs/dbraw/zinc/45/35/42/488453542.db2.gz LADDKFJKTCQLLS-UHFFFAOYSA-N 2 2 373.461 0.613 20 30 FCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2ccccn2)CC1 ZINC000087084493 488453938 /nfs/dbraw/zinc/45/39/38/488453938.db2.gz RUJSNCURLYEPMN-UHFFFAOYSA-N 2 2 356.478 0.779 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111058 488482001 /nfs/dbraw/zinc/48/20/01/488482001.db2.gz ACZIDWQNPMEZMK-MJGOQNOKSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111058 488482002 /nfs/dbraw/zinc/48/20/02/488482002.db2.gz ACZIDWQNPMEZMK-MJGOQNOKSA-N 2 2 372.469 0.536 20 30 FCEDLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563145219 491221095 /nfs/dbraw/zinc/22/10/95/491221095.db2.gz VXMZZJXBSNRLLU-LSDHHAIUSA-N 2 2 357.458 0.444 20 30 FCEDLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329271228 488988143 /nfs/dbraw/zinc/98/81/43/488988143.db2.gz HXEGTJMLYKTVQX-INIZCTEOSA-N 2 2 363.506 0.671 20 30 FCEDLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329271228 488988147 /nfs/dbraw/zinc/98/81/47/488988147.db2.gz HXEGTJMLYKTVQX-INIZCTEOSA-N 2 2 363.506 0.671 20 30 FCEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000329273512 488988434 /nfs/dbraw/zinc/98/84/34/488988434.db2.gz JZLDPNWMOMRZHX-IXDOHACOSA-N 2 2 354.495 0.664 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000364752782 488996988 /nfs/dbraw/zinc/99/69/88/488996988.db2.gz CNDZWMZCVJNIFJ-MRXNPFEDSA-N 2 2 355.442 0.781 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000364752782 488996990 /nfs/dbraw/zinc/99/69/90/488996990.db2.gz CNDZWMZCVJNIFJ-MRXNPFEDSA-N 2 2 355.442 0.781 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041675 /nfs/dbraw/zinc/04/16/75/489041675.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 2 354.451 0.339 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041678 /nfs/dbraw/zinc/04/16/78/489041678.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 2 354.451 0.339 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041681 /nfs/dbraw/zinc/04/16/81/489041681.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 2 354.451 0.339 20 30 FCEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041683 /nfs/dbraw/zinc/04/16/83/489041683.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 2 354.451 0.339 20 30 FCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(S(C)(=O)=O)CC3)CC2)CC1 ZINC000329947870 489053259 /nfs/dbraw/zinc/05/32/59/489053259.db2.gz HHKFKIQFDXQOCG-UHFFFAOYSA-N 2 2 372.535 0.626 20 30 FCEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@H]21 ZINC000329978712 489057332 /nfs/dbraw/zinc/05/73/32/489057332.db2.gz IBRSGGIFBOWSNZ-QZTJIDSGSA-N 2 2 359.474 0.975 20 30 FCEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@H]21 ZINC000329978712 489057335 /nfs/dbraw/zinc/05/73/35/489057335.db2.gz IBRSGGIFBOWSNZ-QZTJIDSGSA-N 2 2 359.474 0.975 20 30 FCEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330033306 489062627 /nfs/dbraw/zinc/06/26/27/489062627.db2.gz VLJLYJATRBFBLV-INIZCTEOSA-N 2 2 353.511 0.333 20 30 FCEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)C1 ZINC000330338667 489092606 /nfs/dbraw/zinc/09/26/06/489092606.db2.gz VRVMHOUQQIKZSU-SFHVURJKSA-N 2 2 362.478 0.788 20 30 FCEDLP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)C1 ZINC000330338667 489092609 /nfs/dbraw/zinc/09/26/09/489092609.db2.gz VRVMHOUQQIKZSU-SFHVURJKSA-N 2 2 362.478 0.788 20 30 FCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330764149 489141031 /nfs/dbraw/zinc/14/10/31/489141031.db2.gz PKFZDWMZNWUJON-FUHWJXTLSA-N 2 2 366.506 0.588 20 30 FCEDLP CN(c1cccc(C#N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535129210 490458153 /nfs/dbraw/zinc/45/81/53/490458153.db2.gz KFFUXQARDOPDNW-UHFFFAOYSA-N 2 2 356.474 0.628 20 30 FCEDLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423009721 490517349 /nfs/dbraw/zinc/51/73/49/490517349.db2.gz DNBNMZJQHBSGOS-HXUWFJFHSA-N 2 2 369.469 0.400 20 30 FCEDLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+] ZINC000423013023 490518995 /nfs/dbraw/zinc/51/89/95/490518995.db2.gz LWIYGNWHSWOMPK-QAPCUYQASA-N 2 2 369.469 0.398 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423033008 490524328 /nfs/dbraw/zinc/52/43/28/490524328.db2.gz GAXKMIXBIPGEKH-INIZCTEOSA-N 2 2 369.469 0.413 20 30 FCEDLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423033008 490524331 /nfs/dbraw/zinc/52/43/31/490524331.db2.gz GAXKMIXBIPGEKH-INIZCTEOSA-N 2 2 369.469 0.413 20 30 FCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528409090 490795418 /nfs/dbraw/zinc/79/54/18/490795418.db2.gz WSFSSVHGWGRLCS-ROUUACIJSA-N 2 2 372.469 0.536 20 30 FCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528409090 490795420 /nfs/dbraw/zinc/79/54/20/490795420.db2.gz WSFSSVHGWGRLCS-ROUUACIJSA-N 2 2 372.469 0.536 20 30 FCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000672354889 493758896 /nfs/dbraw/zinc/75/88/96/493758896.db2.gz IDJGPFDZOQGAKJ-QGZVFWFLSA-N 2 2 364.490 0.076 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262798746 526360208 /nfs/dbraw/zinc/36/02/08/526360208.db2.gz QJHKTKGHQZAJPX-HUUCEWRRSA-N 2 2 355.552 0.847 20 30 FCEDLP C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262407186 526437089 /nfs/dbraw/zinc/43/70/89/526437089.db2.gz OSKNLQGNPUHPFN-SJORKVTESA-N 2 2 366.531 0.889 20 30 FCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000262813243 528806078 /nfs/dbraw/zinc/80/60/78/528806078.db2.gz VWGMIWAVWACUDC-AWEZNQCLSA-N 2 2 351.524 0.505 20 30 FCEDLP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267383601 529349930 /nfs/dbraw/zinc/34/99/30/529349930.db2.gz BBRCBMAVHKOFOH-CQSZACIVSA-N 2 2 367.519 0.826 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303793104 674571345 /nfs/dbraw/zinc/57/13/45/674571345.db2.gz ZAMRFKLYCJGOEX-IYBDPMFKSA-N 2 2 355.527 0.371 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303793104 674571347 /nfs/dbraw/zinc/57/13/47/674571347.db2.gz ZAMRFKLYCJGOEX-IYBDPMFKSA-N 2 2 355.527 0.371 20 30 FCEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005755970 667773589 /nfs/dbraw/zinc/77/35/89/667773589.db2.gz LEKWNZPDKJYKKR-MSOLQXFVSA-N 2 2 351.491 0.975 20 30 FCEDLP CC(=NNc1cc[nH+]cc1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000779808645 668439145 /nfs/dbraw/zinc/43/91/45/668439145.db2.gz FIWWWMXZWHQCFR-UHFFFAOYSA-N 2 2 359.455 0.934 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)CC1 ZINC000988505793 1192236510 /nfs/dbraw/zinc/23/65/10/1192236510.db2.gz DJYSFRPPKKRFMN-QAPCUYQASA-N 2 2 371.485 0.793 20 30 FCEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367052 1170649043 /nfs/dbraw/zinc/64/90/43/1170649043.db2.gz FUHAPYOIRTVDTH-BRWVUGGUSA-N 2 2 371.485 0.269 20 30 FCEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001022736060 1171840566 /nfs/dbraw/zinc/84/05/66/1171840566.db2.gz KWHCMKUMPSMSGA-JKJDWNRSSA-N 2 2 357.458 0.547 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC001088630826 1192728898 /nfs/dbraw/zinc/72/88/98/1192728898.db2.gz CBUCOPKSOCCYEY-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC001088630826 1192728903 /nfs/dbraw/zinc/72/89/03/1192728903.db2.gz CBUCOPKSOCCYEY-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC001088630826 1192728905 /nfs/dbraw/zinc/72/89/05/1192728905.db2.gz CBUCOPKSOCCYEY-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC001088630826 1192728911 /nfs/dbraw/zinc/72/89/11/1192728911.db2.gz CBUCOPKSOCCYEY-MNEFBYGVSA-N 2 2 368.481 0.962 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001087231045 1178851094 /nfs/dbraw/zinc/85/10/94/1178851094.db2.gz AZLFUHGUXXLSTF-PMPSAXMXSA-N 2 2 359.474 0.956 20 30 FCEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104619521 1182286505 /nfs/dbraw/zinc/28/65/05/1182286505.db2.gz BYROOUCLRWBLKE-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104619521 1182286510 /nfs/dbraw/zinc/28/65/10/1182286510.db2.gz BYROOUCLRWBLKE-KYJSFNMBSA-N 2 2 359.474 0.554 20 30 FCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699202 1182379666 /nfs/dbraw/zinc/37/96/66/1182379666.db2.gz GVTKBGYRGIRLPI-QBPKDAKJSA-N 2 2 373.501 0.900 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815093 1182859187 /nfs/dbraw/zinc/85/91/87/1182859187.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815093 1182859193 /nfs/dbraw/zinc/85/91/93/1182859193.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815093 1182859194 /nfs/dbraw/zinc/85/91/94/1182859194.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 2 2 355.442 0.347 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815093 1182859200 /nfs/dbraw/zinc/85/92/00/1182859200.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 2 2 355.442 0.347 20 30 FCEDLP N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696179 1186246125 /nfs/dbraw/zinc/24/61/25/1186246125.db2.gz AUQLMQDYKQWGJR-JKSUJKDBSA-N 2 2 366.425 0.176 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1CC ZINC000985048771 1190482004 /nfs/dbraw/zinc/48/20/04/1190482004.db2.gz PBFOFLUMGPZTHS-KSZLIROESA-N 2 2 371.485 0.785 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1CC ZINC000985048771 1190482005 /nfs/dbraw/zinc/48/20/05/1190482005.db2.gz PBFOFLUMGPZTHS-KSZLIROESA-N 2 2 371.485 0.785 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC ZINC000985048619 1190482218 /nfs/dbraw/zinc/48/22/18/1190482218.db2.gz NDHYYZANDVQGFW-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC ZINC000985048619 1190482225 /nfs/dbraw/zinc/48/22/25/1190482225.db2.gz NDHYYZANDVQGFW-KSZLIROESA-N 2 2 360.502 0.676 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076078044 1194290833 /nfs/dbraw/zinc/29/08/33/1194290833.db2.gz LXEAVIDXGAUATC-GVDBMIGSSA-N 2 2 371.485 0.672 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076078044 1194290840 /nfs/dbraw/zinc/29/08/40/1194290840.db2.gz LXEAVIDXGAUATC-GVDBMIGSSA-N 2 2 371.485 0.672 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023856 1195161235 /nfs/dbraw/zinc/16/12/35/1195161235.db2.gz WRNDHHGHEATVIU-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[N@H+]1C ZINC001077023856 1195161239 /nfs/dbraw/zinc/16/12/39/1195161239.db2.gz WRNDHHGHEATVIU-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077023856 1195161244 /nfs/dbraw/zinc/16/12/44/1195161244.db2.gz WRNDHHGHEATVIU-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077023856 1195161247 /nfs/dbraw/zinc/16/12/47/1195161247.db2.gz WRNDHHGHEATVIU-DGCUDZEOSA-N 2 2 360.433 0.699 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077023893 1195161259 /nfs/dbraw/zinc/16/12/59/1195161259.db2.gz YXRVWRCCWXTMKW-UTRMSSBJSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077023893 1195161262 /nfs/dbraw/zinc/16/12/62/1195161262.db2.gz YXRVWRCCWXTMKW-UTRMSSBJSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023893 1195161266 /nfs/dbraw/zinc/16/12/66/1195161266.db2.gz YXRVWRCCWXTMKW-UTRMSSBJSA-N 2 2 359.445 0.679 20 30 FCEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023893 1195161271 /nfs/dbraw/zinc/16/12/71/1195161271.db2.gz YXRVWRCCWXTMKW-UTRMSSBJSA-N 2 2 359.445 0.679 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(OC)n3)[C@@H]2C)CC1 ZINC001089059637 1196879705 /nfs/dbraw/zinc/87/97/05/1196879705.db2.gz UXFUKGNDYNDTBG-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(OC)n3)[C@@H]2C)CC1 ZINC001089059637 1196879706 /nfs/dbraw/zinc/87/97/06/1196879706.db2.gz UXFUKGNDYNDTBG-QAPCUYQASA-N 2 2 371.485 0.909 20 30 FCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC001272520664 1197248011 /nfs/dbraw/zinc/24/80/11/1197248011.db2.gz JEEOIULTMOSRGY-ARFHVFGLSA-N 2 2 371.416 0.801 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106344030 1197871758 /nfs/dbraw/zinc/87/17/58/1197871758.db2.gz QHKNWCLAQGPNOC-BZUAXINKSA-N 2 2 359.474 0.432 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086200981 1198248580 /nfs/dbraw/zinc/24/85/80/1198248580.db2.gz BVTFVDHWKSNXKS-ZHCJQAHYSA-N 2 2 371.485 0.795 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108551818 1199093625 /nfs/dbraw/zinc/09/36/25/1199093625.db2.gz BYNKSOBJXPVLHY-HLLBOEOZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108551818 1199093632 /nfs/dbraw/zinc/09/36/32/1199093632.db2.gz BYNKSOBJXPVLHY-HLLBOEOZSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108551816 1199094029 /nfs/dbraw/zinc/09/40/29/1199094029.db2.gz BYNKSOBJXPVLHY-BFYDXBDKSA-N 2 2 364.490 0.073 20 30 FCEDLP C=CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108551816 1199094037 /nfs/dbraw/zinc/09/40/37/1199094037.db2.gz BYNKSOBJXPVLHY-BFYDXBDKSA-N 2 2 364.490 0.073 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380845 1200039682 /nfs/dbraw/zinc/03/96/82/1200039682.db2.gz FWTAPKYQTXJFHD-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380845 1200039687 /nfs/dbraw/zinc/03/96/87/1200039687.db2.gz FWTAPKYQTXJFHD-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380845 1200039693 /nfs/dbraw/zinc/03/96/93/1200039693.db2.gz FWTAPKYQTXJFHD-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129380845 1200039696 /nfs/dbraw/zinc/03/96/96/1200039696.db2.gz FWTAPKYQTXJFHD-CEXWTWQISA-N 2 2 366.469 0.946 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000769703265 1200350673 /nfs/dbraw/zinc/35/06/73/1200350673.db2.gz HIUXSWXJUYAECP-UHFFFAOYSA-N 2 2 362.518 0.925 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000769703265 1200350681 /nfs/dbraw/zinc/35/06/81/1200350681.db2.gz HIUXSWXJUYAECP-UHFFFAOYSA-N 2 2 362.518 0.925 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000769703265 1200350687 /nfs/dbraw/zinc/35/06/87/1200350687.db2.gz HIUXSWXJUYAECP-UHFFFAOYSA-N 2 2 362.518 0.925 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000769703265 1200350698 /nfs/dbraw/zinc/35/06/98/1200350698.db2.gz HIUXSWXJUYAECP-UHFFFAOYSA-N 2 2 362.518 0.925 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796910 1200527455 /nfs/dbraw/zinc/52/74/55/1200527455.db2.gz LJSDPIRSTDELJE-MHORFTMASA-N 2 2 360.502 0.722 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796910 1200527459 /nfs/dbraw/zinc/52/74/59/1200527459.db2.gz LJSDPIRSTDELJE-MHORFTMASA-N 2 2 360.502 0.722 20 30 FCEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CCC1 ZINC001219812305 1224629671 /nfs/dbraw/zinc/62/96/71/1224629671.db2.gz XGXJHHWRTUSJBH-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CCC1 ZINC001219812305 1224629676 /nfs/dbraw/zinc/62/96/76/1224629676.db2.gz XGXJHHWRTUSJBH-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CCC1 ZINC001219812305 1224629681 /nfs/dbraw/zinc/62/96/81/1224629681.db2.gz XGXJHHWRTUSJBH-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CCC1 ZINC001219812305 1224629685 /nfs/dbraw/zinc/62/96/85/1224629685.db2.gz XGXJHHWRTUSJBH-MSOLQXFVSA-N 2 2 360.433 0.843 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563302 1200796449 /nfs/dbraw/zinc/79/64/49/1200796449.db2.gz PSACMFIFSAKPCP-FTRWYGJKSA-N 2 2 371.485 0.319 20 30 FCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140379 1201515846 /nfs/dbraw/zinc/51/58/46/1201515846.db2.gz XIPINVGBBOESDQ-SQNIBIBYSA-N 2 2 367.457 0.341 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130220675 1201550184 /nfs/dbraw/zinc/55/01/84/1201550184.db2.gz INMSADONLSDKLM-OFQRWUPVSA-N 2 2 362.478 0.409 20 30 FCEDLP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001130287763 1201577108 /nfs/dbraw/zinc/57/71/08/1201577108.db2.gz CPWOHDVCPDGXQP-UZLBHIALSA-N 2 2 371.485 0.841 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809045 1202801495 /nfs/dbraw/zinc/80/14/95/1202801495.db2.gz DNXBDPAXEGSMLC-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809045 1202801498 /nfs/dbraw/zinc/80/14/98/1202801498.db2.gz DNXBDPAXEGSMLC-SOUVJXGZSA-N 2 2 360.462 0.348 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117518 1202865012 /nfs/dbraw/zinc/86/50/12/1202865012.db2.gz BNNNIRJHACEWPR-NVXWUHKLSA-N 2 2 370.457 0.228 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316490 1202885443 /nfs/dbraw/zinc/88/54/43/1202885443.db2.gz LAXPUTPZLSNBGM-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316490 1202885447 /nfs/dbraw/zinc/88/54/47/1202885447.db2.gz LAXPUTPZLSNBGM-BBWFWOEESA-N 2 2 362.474 0.457 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984834 1204879318 /nfs/dbraw/zinc/87/93/18/1204879318.db2.gz GPUGFTAOZPCOAN-SIXWZSSISA-N 2 2 366.469 0.774 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984834 1204879319 /nfs/dbraw/zinc/87/93/19/1204879319.db2.gz GPUGFTAOZPCOAN-SIXWZSSISA-N 2 2 366.469 0.774 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC1 ZINC001092300482 1205233292 /nfs/dbraw/zinc/23/32/92/1205233292.db2.gz XEVZJWSQPTUUKE-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC1 ZINC001092300482 1205233293 /nfs/dbraw/zinc/23/32/93/1205233293.db2.gz XEVZJWSQPTUUKE-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC1 ZINC001092300247 1205233605 /nfs/dbraw/zinc/23/36/05/1205233605.db2.gz SZTIVYXSKDNZBY-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC1 ZINC001092300247 1205233612 /nfs/dbraw/zinc/23/36/12/1205233612.db2.gz SZTIVYXSKDNZBY-XLIONFOSSA-N 2 2 370.501 0.441 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319912 1205247254 /nfs/dbraw/zinc/24/72/54/1205247254.db2.gz WWZNCMZDOVAJIU-GJYPPUQNSA-N 2 2 357.458 0.450 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319912 1205247256 /nfs/dbraw/zinc/24/72/56/1205247256.db2.gz WWZNCMZDOVAJIU-GJYPPUQNSA-N 2 2 357.458 0.450 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094166456 1206197815 /nfs/dbraw/zinc/19/78/15/1206197815.db2.gz CVZQYEFOBVEGCY-INMHGKMJSA-N 2 2 359.474 0.434 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568291 1224937898 /nfs/dbraw/zinc/93/78/98/1224937898.db2.gz FMEQGYIXOIRFGF-ZACQAIPSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568291 1224937904 /nfs/dbraw/zinc/93/79/04/1224937904.db2.gz FMEQGYIXOIRFGF-ZACQAIPSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568291 1224937909 /nfs/dbraw/zinc/93/79/09/1224937909.db2.gz FMEQGYIXOIRFGF-ZACQAIPSSA-N 2 2 368.522 0.351 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568291 1224937917 /nfs/dbraw/zinc/93/79/17/1224937917.db2.gz FMEQGYIXOIRFGF-ZACQAIPSSA-N 2 2 368.522 0.351 20 30 FCEDLP C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953859 1206489155 /nfs/dbraw/zinc/48/91/55/1206489155.db2.gz HRAIYVLGBSMLEX-OKZBNKHCSA-N 2 2 358.490 0.895 20 30 FCEDLP C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953859 1206489156 /nfs/dbraw/zinc/48/91/56/1206489156.db2.gz HRAIYVLGBSMLEX-OKZBNKHCSA-N 2 2 358.490 0.895 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205365 1207435171 /nfs/dbraw/zinc/43/51/71/1207435171.db2.gz KAVLJIBQYJNTGJ-HRCADAONSA-N 2 2 355.442 0.043 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205365 1207435173 /nfs/dbraw/zinc/43/51/73/1207435173.db2.gz KAVLJIBQYJNTGJ-HRCADAONSA-N 2 2 355.442 0.043 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918821 1207486868 /nfs/dbraw/zinc/48/68/68/1207486868.db2.gz PZYYAZQQLYKGII-YESZJQIVSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918821 1207486872 /nfs/dbraw/zinc/48/68/72/1207486872.db2.gz PZYYAZQQLYKGII-YESZJQIVSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918821 1207486877 /nfs/dbraw/zinc/48/68/77/1207486877.db2.gz PZYYAZQQLYKGII-YESZJQIVSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001188918821 1207486881 /nfs/dbraw/zinc/48/68/81/1207486881.db2.gz PZYYAZQQLYKGII-YESZJQIVSA-N 2 2 361.490 0.281 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948113 1207490388 /nfs/dbraw/zinc/49/03/88/1207490388.db2.gz CRXXPVWDRQGTAB-YQVWRLOYSA-N 2 2 356.470 0.936 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188948113 1207490394 /nfs/dbraw/zinc/49/03/94/1207490394.db2.gz CRXXPVWDRQGTAB-YQVWRLOYSA-N 2 2 356.470 0.936 20 30 FCEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189013061 1207495756 /nfs/dbraw/zinc/49/57/56/1207495756.db2.gz WIRXMQZFYIWQIR-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189013061 1207495759 /nfs/dbraw/zinc/49/57/59/1207495759.db2.gz WIRXMQZFYIWQIR-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189013061 1207495761 /nfs/dbraw/zinc/49/57/61/1207495761.db2.gz WIRXMQZFYIWQIR-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189013061 1207495765 /nfs/dbraw/zinc/49/57/65/1207495765.db2.gz WIRXMQZFYIWQIR-RYQLBKOJSA-N 2 2 359.474 0.956 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135932 1207511626 /nfs/dbraw/zinc/51/16/26/1207511626.db2.gz SOXJYDRHJVEKBB-XYJFISCASA-N 2 2 369.469 0.036 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189135932 1207511633 /nfs/dbraw/zinc/51/16/33/1207511633.db2.gz SOXJYDRHJVEKBB-XYJFISCASA-N 2 2 369.469 0.036 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169215 1207655555 /nfs/dbraw/zinc/65/55/55/1207655555.db2.gz WPGWAZPIVLOBBG-DLBZAZTESA-N 2 2 361.490 0.377 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169215 1207655557 /nfs/dbraw/zinc/65/55/57/1207655557.db2.gz WPGWAZPIVLOBBG-DLBZAZTESA-N 2 2 361.490 0.377 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001196267830 1208069705 /nfs/dbraw/zinc/06/97/05/1208069705.db2.gz GXPYWVQBBXXUJS-IXDOHACOSA-N 2 2 360.458 0.568 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493579 1208171931 /nfs/dbraw/zinc/17/19/31/1208171931.db2.gz SQAJZQXCAKYGMQ-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493579 1208171937 /nfs/dbraw/zinc/17/19/37/1208171937.db2.gz SQAJZQXCAKYGMQ-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493579 1208171943 /nfs/dbraw/zinc/17/19/43/1208171943.db2.gz SQAJZQXCAKYGMQ-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493579 1208171947 /nfs/dbraw/zinc/17/19/47/1208171947.db2.gz SQAJZQXCAKYGMQ-GVDBMIGSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740175 1225047012 /nfs/dbraw/zinc/04/70/12/1225047012.db2.gz BAKLYLVFXGTKSV-SJORKVTESA-N 2 2 368.522 0.352 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740175 1225047022 /nfs/dbraw/zinc/04/70/22/1225047022.db2.gz BAKLYLVFXGTKSV-SJORKVTESA-N 2 2 368.522 0.352 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220826143 1225090051 /nfs/dbraw/zinc/09/00/51/1225090051.db2.gz OYJMXTVQZVJDPL-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220826143 1225090060 /nfs/dbraw/zinc/09/00/60/1225090060.db2.gz OYJMXTVQZVJDPL-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826143 1225090067 /nfs/dbraw/zinc/09/00/67/1225090067.db2.gz OYJMXTVQZVJDPL-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826143 1225090073 /nfs/dbraw/zinc/09/00/73/1225090073.db2.gz OYJMXTVQZVJDPL-SJORKVTESA-N 2 2 368.522 0.304 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809987 1209890569 /nfs/dbraw/zinc/89/05/69/1209890569.db2.gz AHQRRMROBMIZEJ-UWIFEVILSA-N 2 2 365.437 0.807 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809987 1209890573 /nfs/dbraw/zinc/89/05/73/1209890573.db2.gz AHQRRMROBMIZEJ-UWIFEVILSA-N 2 2 365.437 0.807 20 30 FCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC[C@@H]3COc4ccccc4O3)cn2)CC1 ZINC000863200053 1209935501 /nfs/dbraw/zinc/93/55/01/1209935501.db2.gz SWJDSRQGWNUXHL-MRXNPFEDSA-N 2 2 368.441 0.992 20 30 FCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202551735 1210637188 /nfs/dbraw/zinc/63/71/88/1210637188.db2.gz DFNYMPJFVNZBKZ-NUEKZKHPSA-N 2 2 359.474 0.795 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001111036044 1211813786 /nfs/dbraw/zinc/81/37/86/1211813786.db2.gz RJWCCDKEZGDYKQ-NCOADZHNSA-N 2 2 363.506 0.810 20 30 FCEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001111036044 1211813787 /nfs/dbraw/zinc/81/37/87/1211813787.db2.gz RJWCCDKEZGDYKQ-NCOADZHNSA-N 2 2 363.506 0.810 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098422 1211879503 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C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229262238 1225994199 /nfs/dbraw/zinc/99/41/99/1225994199.db2.gz PJMFTTHJPUZBHO-FVQBIDKESA-N 2 2 357.458 0.242 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452554 1220885884 /nfs/dbraw/zinc/88/58/84/1220885884.db2.gz XAHHAGDBVVEVNV-QBPKDAKJSA-N 2 2 371.485 0.347 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452554 1220885887 /nfs/dbraw/zinc/88/58/87/1220885887.db2.gz XAHHAGDBVVEVNV-QBPKDAKJSA-N 2 2 371.485 0.347 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC001118616127 1221808872 /nfs/dbraw/zinc/80/88/72/1221808872.db2.gz IQQVMWKRFZYAFS-HOTGVXAUSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC001118616127 1221808873 /nfs/dbraw/zinc/80/88/73/1221808873.db2.gz IQQVMWKRFZYAFS-HOTGVXAUSA-N 2 2 361.490 0.423 20 30 FCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000834493260 1222575949 /nfs/dbraw/zinc/57/59/49/1222575949.db2.gz CHJWTLLQAIYGSX-GDBMZVCRSA-N 2 2 352.398 0.753 20 30 FCEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001158262846 1223092325 /nfs/dbraw/zinc/09/23/25/1223092325.db2.gz XSTQUOAQRJKMFK-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001158262846 1223092328 /nfs/dbraw/zinc/09/23/28/1223092328.db2.gz XSTQUOAQRJKMFK-QRVBRYPASA-N 2 2 363.502 0.812 20 30 FCEDLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160691979 1223168503 /nfs/dbraw/zinc/16/85/03/1223168503.db2.gz ZJTKWATZPACVQH-INIZCTEOSA-N 2 2 354.414 0.919 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208007949 1223505774 /nfs/dbraw/zinc/50/57/74/1223505774.db2.gz NUPBHWQWPJEDLU-NVXWUHKLSA-N 2 2 359.474 0.829 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208007949 1223505776 /nfs/dbraw/zinc/50/57/76/1223505776.db2.gz NUPBHWQWPJEDLU-NVXWUHKLSA-N 2 2 359.474 0.829 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209030424 1223594018 /nfs/dbraw/zinc/59/40/18/1223594018.db2.gz XDXFQAAEVMNYAY-OWCLPIDISA-N 2 2 359.474 0.581 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209030424 1223594020 /nfs/dbraw/zinc/59/40/20/1223594020.db2.gz XDXFQAAEVMNYAY-OWCLPIDISA-N 2 2 359.474 0.581 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127569 1223751401 /nfs/dbraw/zinc/75/14/01/1223751401.db2.gz VYQGKFNDPSYPIL-KBRIMQKVSA-N 2 2 371.441 0.454 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127569 1223751404 /nfs/dbraw/zinc/75/14/04/1223751404.db2.gz VYQGKFNDPSYPIL-KBRIMQKVSA-N 2 2 371.441 0.454 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164231 1223761283 /nfs/dbraw/zinc/76/12/83/1223761283.db2.gz PKFNEJXTDUQSFW-KBRIMQKVSA-N 2 2 371.441 0.454 20 30 FCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164231 1223761288 /nfs/dbraw/zinc/76/12/88/1223761288.db2.gz PKFNEJXTDUQSFW-KBRIMQKVSA-N 2 2 371.441 0.454 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214948292 1223958372 /nfs/dbraw/zinc/95/83/72/1223958372.db2.gz NSAWUFZQRAFENS-FVQBIDKESA-N 2 2 359.474 0.501 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006681 1223963515 /nfs/dbraw/zinc/96/35/15/1223963515.db2.gz ZJGIJNXYQKCZFX-HACGYAERSA-N 2 2 359.474 0.562 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006681 1223963519 /nfs/dbraw/zinc/96/35/19/1223963519.db2.gz ZJGIJNXYQKCZFX-HACGYAERSA-N 2 2 359.474 0.562 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215385419 1223995264 /nfs/dbraw/zinc/99/52/64/1223995264.db2.gz QVNPHCXIVRGKFY-QRQLOZEOSA-N 2 2 363.502 0.716 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215385419 1223995267 /nfs/dbraw/zinc/99/52/67/1223995267.db2.gz QVNPHCXIVRGKFY-QRQLOZEOSA-N 2 2 363.502 0.716 20 30 FCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216361735 1224046544 /nfs/dbraw/zinc/04/65/44/1224046544.db2.gz JZSOXRWJAQSDCZ-RHSMWYFYSA-N 2 2 368.441 0.620 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000938861582 1245940565 /nfs/dbraw/zinc/94/05/65/1245940565.db2.gz TYDMBTXLVNENEC-HZMVEIRTSA-N 2 2 369.469 0.338 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000938861582 1245940571 /nfs/dbraw/zinc/94/05/71/1245940571.db2.gz TYDMBTXLVNENEC-HZMVEIRTSA-N 2 2 369.469 0.338 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000942448992 1247075196 /nfs/dbraw/zinc/07/51/96/1247075196.db2.gz TYDMBTXLVNENEC-VQHPVUNQSA-N 2 2 369.469 0.338 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000942448992 1247075207 /nfs/dbraw/zinc/07/52/07/1247075207.db2.gz TYDMBTXLVNENEC-VQHPVUNQSA-N 2 2 369.469 0.338 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001078183301 1255299087 /nfs/dbraw/zinc/29/90/87/1255299087.db2.gz LAMSMCBLDJYWEB-QZTJIDSGSA-N 2 2 369.425 0.455 20 30 FCEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001078183301 1255299090 /nfs/dbraw/zinc/29/90/90/1255299090.db2.gz LAMSMCBLDJYWEB-QZTJIDSGSA-N 2 2 369.425 0.455 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2O)CC1 ZINC001078228478 1255342756 /nfs/dbraw/zinc/34/27/56/1255342756.db2.gz RZWYCBILUSRNQQ-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2O)CC1 ZINC001078228478 1255342765 /nfs/dbraw/zinc/34/27/65/1255342765.db2.gz RZWYCBILUSRNQQ-RTBURBONSA-N 2 2 359.445 0.832 20 30 FCEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231363 1255479411 /nfs/dbraw/zinc/47/94/11/1255479411.db2.gz HDLWSGOXYFNXDX-RCCFBDPRSA-N 2 2 363.502 0.833 20 30 FCEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231363 1255479416 /nfs/dbraw/zinc/47/94/16/1255479416.db2.gz HDLWSGOXYFNXDX-RCCFBDPRSA-N 2 2 363.502 0.833 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001079879213 1255648414 /nfs/dbraw/zinc/64/84/14/1255648414.db2.gz HBWKCAHTCGBOLP-KURKYZTESA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001079879213 1255648421 /nfs/dbraw/zinc/64/84/21/1255648421.db2.gz HBWKCAHTCGBOLP-KURKYZTESA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1C ZINC001079879213 1255648427 /nfs/dbraw/zinc/64/84/27/1255648427.db2.gz HBWKCAHTCGBOLP-KURKYZTESA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1C ZINC001079879213 1255648435 /nfs/dbraw/zinc/64/84/35/1255648435.db2.gz HBWKCAHTCGBOLP-KURKYZTESA-N 2 2 360.502 0.533 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001082568763 1256873842 /nfs/dbraw/zinc/87/38/42/1256873842.db2.gz QDELNGWOEDXIIS-OIISXLGYSA-N 2 2 370.501 0.727 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001082568763 1256873859 /nfs/dbraw/zinc/87/38/59/1256873859.db2.gz QDELNGWOEDXIIS-OIISXLGYSA-N 2 2 370.501 0.727 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001082567850 1256874448 /nfs/dbraw/zinc/87/44/48/1256874448.db2.gz GUPRSSZMBBMQOY-OAGGEKHMSA-N 2 2 359.478 0.288 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001082567850 1256874456 /nfs/dbraw/zinc/87/44/56/1256874456.db2.gz GUPRSSZMBBMQOY-OAGGEKHMSA-N 2 2 359.478 0.288 20 30 FCEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953076 1257742178 /nfs/dbraw/zinc/74/21/78/1257742178.db2.gz GJJIRBJMDKKFDL-QRQLOZEOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953076 1257742181 /nfs/dbraw/zinc/74/21/81/1257742181.db2.gz GJJIRBJMDKKFDL-QRQLOZEOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953076 1257742186 /nfs/dbraw/zinc/74/21/86/1257742186.db2.gz GJJIRBJMDKKFDL-QRQLOZEOSA-N 2 2 359.445 0.680 20 30 FCEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083953076 1257742192 /nfs/dbraw/zinc/74/21/92/1257742192.db2.gz GJJIRBJMDKKFDL-QRQLOZEOSA-N 2 2 359.445 0.680 20 30 FCEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995290 1258505233 /nfs/dbraw/zinc/50/52/33/1258505233.db2.gz VMGMDGANQCBHRL-YRXWBPOGSA-N 2 2 361.486 0.422 20 30 FCEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995290 1258505235 /nfs/dbraw/zinc/50/52/35/1258505235.db2.gz VMGMDGANQCBHRL-YRXWBPOGSA-N 2 2 361.486 0.422 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704780 1258943498 /nfs/dbraw/zinc/94/34/98/1258943498.db2.gz CIPHXUVIJKJFFR-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481188 1259100291 /nfs/dbraw/zinc/10/02/91/1259100291.db2.gz LNIIAYYVTHDUDF-OXQOHEQNSA-N 2 2 371.485 0.463 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481188 1259100292 /nfs/dbraw/zinc/10/02/92/1259100292.db2.gz LNIIAYYVTHDUDF-OXQOHEQNSA-N 2 2 371.485 0.463 20 30 FCEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590706 1259166063 /nfs/dbraw/zinc/16/60/63/1259166063.db2.gz MAGZYGICSAOODJ-BXWFABGCSA-N 2 2 357.458 0.239 20 30 FCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961273 1259274874 /nfs/dbraw/zinc/27/48/74/1259274874.db2.gz AAJVLYHOYVYZTA-CABCVRRESA-N 2 2 359.434 0.178 20 30 FCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961273 1259274879 /nfs/dbraw/zinc/27/48/79/1259274879.db2.gz AAJVLYHOYVYZTA-CABCVRRESA-N 2 2 359.434 0.178 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212489780 1259523313 /nfs/dbraw/zinc/52/33/13/1259523313.db2.gz SXVHCYRNOWEKEQ-QZTJIDSGSA-N 2 2 360.458 0.373 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212489780 1259523316 /nfs/dbraw/zinc/52/33/16/1259523316.db2.gz SXVHCYRNOWEKEQ-QZTJIDSGSA-N 2 2 360.458 0.373 20 30 FCEDLP N#Cc1ccc(F)c(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247334685 1259702214 /nfs/dbraw/zinc/70/22/14/1259702214.db2.gz UNANYVMCGYXDGR-ZDUSSCGKSA-N 2 2 355.333 0.657 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC001258413369 1260050116 /nfs/dbraw/zinc/05/01/16/1260050116.db2.gz HWNCORGCFTWHDR-INIZCTEOSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC001258413369 1260050125 /nfs/dbraw/zinc/05/01/25/1260050125.db2.gz HWNCORGCFTWHDR-INIZCTEOSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 ZINC001324361620 1264625630 /nfs/dbraw/zinc/62/56/30/1264625630.db2.gz HXLPYHFTZFKTJN-CQSZACIVSA-N 2 2 373.461 0.020 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 ZINC001324361620 1264625639 /nfs/dbraw/zinc/62/56/39/1264625639.db2.gz HXLPYHFTZFKTJN-CQSZACIVSA-N 2 2 373.461 0.020 20 30 FCEDLP C=C(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001343749347 1269998462 /nfs/dbraw/zinc/99/84/62/1269998462.db2.gz UCLRUMWVRFERKW-CQSZACIVSA-N 2 2 364.450 0.108 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH3+])CC1 ZINC001574706331 1271497216 /nfs/dbraw/zinc/49/72/16/1271497216.db2.gz AYVWPMFHDAYDDR-UHFFFAOYSA-N 2 2 356.478 0.244 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001689032262 1294578228 /nfs/dbraw/zinc/57/82/28/1294578228.db2.gz TWUFQCXZAJNGSN-ZWKOTPCHSA-N 2 2 370.457 0.241 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001689265569 1294703823 /nfs/dbraw/zinc/70/38/23/1294703823.db2.gz XTQKPBKVFFPYMQ-ARFHVFGLSA-N 2 2 357.458 0.623 20 30 FCEDLP C#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001689265569 1294703830 /nfs/dbraw/zinc/70/38/30/1294703830.db2.gz XTQKPBKVFFPYMQ-ARFHVFGLSA-N 2 2 357.458 0.623 20 30 FCEDLP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001690134549 1294859810 /nfs/dbraw/zinc/85/98/10/1294859810.db2.gz VZQRBMLPBDBKJK-NVXWUHKLSA-N 2 2 363.506 0.669 20 30 FCEDLP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001690134549 1294859824 /nfs/dbraw/zinc/85/98/24/1294859824.db2.gz VZQRBMLPBDBKJK-NVXWUHKLSA-N 2 2 363.506 0.669 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C/Cl)C[C@@H]32)CC1 ZINC001083283553 840866207 /nfs/dbraw/zinc/86/62/07/840866207.db2.gz IBNWSVIKGPUGLW-ZQENULHRSA-N 2 2 351.878 0.996 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C/Cl)C[C@@H]32)CC1 ZINC001083283553 840866213 /nfs/dbraw/zinc/86/62/13/840866213.db2.gz IBNWSVIKGPUGLW-ZQENULHRSA-N 2 2 351.878 0.996 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2O)CC1 ZINC001084089385 841698317 /nfs/dbraw/zinc/69/83/17/841698317.db2.gz GUSLIHOQCYDURN-CVEARBPZSA-N 2 2 362.499 0.458 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2O)CC1 ZINC001084089385 841698319 /nfs/dbraw/zinc/69/83/19/841698319.db2.gz GUSLIHOQCYDURN-CVEARBPZSA-N 2 2 362.499 0.458 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109360635 845628819 /nfs/dbraw/zinc/62/88/19/845628819.db2.gz CMTOHDGNMXWHEN-UGUYLWEFSA-N 2 2 352.454 0.137 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109360635 845628825 /nfs/dbraw/zinc/62/88/25/845628825.db2.gz CMTOHDGNMXWHEN-UGUYLWEFSA-N 2 2 352.454 0.137 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130251330 848988045 /nfs/dbraw/zinc/98/80/45/848988045.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 2 2 350.467 0.411 20 30 FCEDLP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130251330 848988055 /nfs/dbraw/zinc/98/80/55/848988055.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 2 2 350.467 0.411 20 30 FCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996133 850342324 /nfs/dbraw/zinc/34/23/24/850342324.db2.gz NICQJYRBWDXDKH-SJORKVTESA-N 2 2 355.479 0.165 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107447 851646497 /nfs/dbraw/zinc/64/64/97/851646497.db2.gz PIOWUSVRXQONDG-ARFHVFGLSA-N 2 2 354.470 0.501 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107447 851646500 /nfs/dbraw/zinc/64/65/00/851646500.db2.gz PIOWUSVRXQONDG-ARFHVFGLSA-N 2 2 354.470 0.501 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585870 853701240 /nfs/dbraw/zinc/70/12/40/853701240.db2.gz GJVVHRNFGOEMEU-ZACQAIPSSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585870 853701246 /nfs/dbraw/zinc/70/12/46/853701246.db2.gz GJVVHRNFGOEMEU-ZACQAIPSSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206585870 853701254 /nfs/dbraw/zinc/70/12/54/853701254.db2.gz GJVVHRNFGOEMEU-ZACQAIPSSA-N 2 2 350.507 0.942 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206585870 853701262 /nfs/dbraw/zinc/70/12/62/853701262.db2.gz GJVVHRNFGOEMEU-ZACQAIPSSA-N 2 2 350.507 0.942 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526355 854651791 /nfs/dbraw/zinc/65/17/91/854651791.db2.gz JKAAPMICTDAUBN-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526355 854651798 /nfs/dbraw/zinc/65/17/98/854651798.db2.gz JKAAPMICTDAUBN-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526355 854651805 /nfs/dbraw/zinc/65/18/05/854651805.db2.gz JKAAPMICTDAUBN-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526355 854651810 /nfs/dbraw/zinc/65/18/10/854651810.db2.gz JKAAPMICTDAUBN-FGTMMUONSA-N 2 2 351.491 0.715 20 30 FCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588048 856614146 /nfs/dbraw/zinc/61/41/46/856614146.db2.gz RAWSEAIDZHNYIY-OWCLPIDISA-N 2 2 354.470 0.501 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588048 856614148 /nfs/dbraw/zinc/61/41/48/856614148.db2.gz RAWSEAIDZHNYIY-OWCLPIDISA-N 2 2 354.470 0.501 20 30 FCEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246948830 857606853 /nfs/dbraw/zinc/60/68/53/857606853.db2.gz MORDSUYZGKOHCU-ROUUACIJSA-N 2 2 350.507 0.572 20 30 FCEDLP C=C(C)COCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001323604700 869274768 /nfs/dbraw/zinc/27/47/68/869274768.db2.gz YANFZYZBDUDOOO-UHFFFAOYSA-N 2 2 354.495 0.180 20 30 FCEDLP C=C(C)COCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001323604700 869274779 /nfs/dbraw/zinc/27/47/79/869274779.db2.gz YANFZYZBDUDOOO-UHFFFAOYSA-N 2 2 354.495 0.180 20 30 FCEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000267471457 529775714 /nfs/dbraw/zinc/77/57/14/529775714.db2.gz XUBXTOITHNJFCU-UHFFFAOYSA-N 2 2 367.519 0.826 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419941661 246380940 /nfs/dbraw/zinc/38/09/40/246380940.db2.gz XQEQNUFTFLHZBM-GOSISDBHSA-N 2 2 369.469 0.461 20 30 FCEDLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423635830 247085885 /nfs/dbraw/zinc/08/58/85/247085885.db2.gz RTQLPHOALGYIES-JKSUJKDBSA-N 2 2 369.469 0.411 20 30 FCEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)NC1CC1 ZINC000108351912 229165613 /nfs/dbraw/zinc/16/56/13/229165613.db2.gz UVBGSJMOPBFEAH-UHFFFAOYSA-N 2 2 359.474 0.762 20 30 FCEDLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCC(=O)NC1CC1 ZINC000108351912 229165620 /nfs/dbraw/zinc/16/56/20/229165620.db2.gz UVBGSJMOPBFEAH-UHFFFAOYSA-N 2 2 359.474 0.762 20 30 FCEDLP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264075504 229321188 /nfs/dbraw/zinc/32/11/88/229321188.db2.gz FLYHNVCSKIJLRU-OAHLLOKOSA-N 2 2 350.463 0.837 20 30 FCEDLP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000266974156 229372341 /nfs/dbraw/zinc/37/23/41/229372341.db2.gz HQQBOIGMBSBHSN-AWEZNQCLSA-N 2 2 360.380 0.803 20 30 FCEDLP Cn1cc[nH+]c1N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000328861496 488944629 /nfs/dbraw/zinc/94/46/29/488944629.db2.gz ZGPXCOXOEGTUPA-UHFFFAOYSA-N 2 2 364.494 0.609 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000328877949 488945944 /nfs/dbraw/zinc/94/59/44/488945944.db2.gz UJIOCEBTFTZZTH-CQSZACIVSA-N 2 2 362.478 0.676 20 30 FCEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC(=O)N1C1CC1 ZINC000329050814 488964019 /nfs/dbraw/zinc/96/40/19/488964019.db2.gz KUNDUWGAOWEFJI-UKPHBRMFSA-N 2 2 361.446 0.902 20 30 FCEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC(=O)N1C1CC1 ZINC000329050814 488964021 /nfs/dbraw/zinc/96/40/21/488964021.db2.gz KUNDUWGAOWEFJI-UKPHBRMFSA-N 2 2 361.446 0.902 20 30 FCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnc2n1CCCC2 ZINC000329108820 488969960 /nfs/dbraw/zinc/96/99/60/488969960.db2.gz IPVBPERAKASZGQ-UHFFFAOYSA-N 2 2 363.510 0.986 20 30 FCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnc2n1CCCC2 ZINC000329108820 488969961 /nfs/dbraw/zinc/96/99/61/488969961.db2.gz IPVBPERAKASZGQ-UHFFFAOYSA-N 2 2 363.510 0.986 20 30 FCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269680576 488512678 /nfs/dbraw/zinc/51/26/78/488512678.db2.gz FLDNPQGXNVIUIQ-CHWSQXEVSA-N 2 2 374.532 0.271 20 30 FCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269680576 488512680 /nfs/dbraw/zinc/51/26/80/488512680.db2.gz FLDNPQGXNVIUIQ-CHWSQXEVSA-N 2 2 374.532 0.271 20 30 FCEDLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329230808 488983031 /nfs/dbraw/zinc/98/30/31/488983031.db2.gz KEBUPPQMBZMPQG-LUKYLMHMSA-N 2 2 354.495 0.805 20 30 FCEDLP C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000329530276 489013380 /nfs/dbraw/zinc/01/33/80/489013380.db2.gz VPYMXNNHXYFTJE-INIZCTEOSA-N 2 2 373.505 0.753 20 30 FCEDLP C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000329530276 489013382 /nfs/dbraw/zinc/01/33/82/489013382.db2.gz VPYMXNNHXYFTJE-INIZCTEOSA-N 2 2 373.505 0.753 20 30 FCEDLP CC(C)[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329581184 489017806 /nfs/dbraw/zinc/01/78/06/489017806.db2.gz VCMIGXPZSIKKTH-UHFFFAOYSA-N 2 2 364.494 1.414 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902425 489047860 /nfs/dbraw/zinc/04/78/60/489047860.db2.gz HQHNGZIYENSNHE-CQSZACIVSA-N 2 2 362.478 0.502 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902425 489047861 /nfs/dbraw/zinc/04/78/61/489047861.db2.gz HQHNGZIYENSNHE-CQSZACIVSA-N 2 2 362.478 0.502 20 30 FCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329902425 489047863 /nfs/dbraw/zinc/04/78/63/489047863.db2.gz HQHNGZIYENSNHE-CQSZACIVSA-N 2 2 362.478 0.502 20 30 FCEDLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CC[NH+](C)CC2)cn1 ZINC000329932792 489051297 /nfs/dbraw/zinc/05/12/97/489051297.db2.gz IVWAGHSGOORXKI-HOCLYGCPSA-N 2 2 352.458 0.930 20 30 FCEDLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CC[NH+](C)CC2)cn1 ZINC000329932792 489051301 /nfs/dbraw/zinc/05/13/01/489051301.db2.gz IVWAGHSGOORXKI-HOCLYGCPSA-N 2 2 352.458 0.930 20 30 FCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330173173 489076094 /nfs/dbraw/zinc/07/60/94/489076094.db2.gz HCLGBNDFSZHAQK-ZACQAIPSSA-N 2 2 353.511 0.114 20 30 FCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330173173 489076096 /nfs/dbraw/zinc/07/60/96/489076096.db2.gz HCLGBNDFSZHAQK-ZACQAIPSSA-N 2 2 353.511 0.114 20 30 FCEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330206369 489080913 /nfs/dbraw/zinc/08/09/13/489080913.db2.gz DEWIGKOEZUGJFK-IRXDYDNUSA-N 2 2 367.538 0.721 20 30 FCEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330206369 489080915 /nfs/dbraw/zinc/08/09/15/489080915.db2.gz DEWIGKOEZUGJFK-IRXDYDNUSA-N 2 2 367.538 0.721 20 30 FCEDLP CCC(=O)N[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330485753 489107530 /nfs/dbraw/zinc/10/75/30/489107530.db2.gz CBCRDVKOKGIJEQ-OAHLLOKOSA-N 2 2 353.511 0.917 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361390608 489362063 /nfs/dbraw/zinc/36/20/63/489362063.db2.gz NRMXHKSBFJUIJK-SFHVURJKSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361390608 489362065 /nfs/dbraw/zinc/36/20/65/489362065.db2.gz NRMXHKSBFJUIJK-SFHVURJKSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361390608 489362067 /nfs/dbraw/zinc/36/20/67/489362067.db2.gz NRMXHKSBFJUIJK-SFHVURJKSA-N 2 2 374.529 0.925 20 30 FCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361390608 489362069 /nfs/dbraw/zinc/36/20/69/489362069.db2.gz NRMXHKSBFJUIJK-SFHVURJKSA-N 2 2 374.529 0.925 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420201205 489949874 /nfs/dbraw/zinc/94/98/74/489949874.db2.gz NCTIGYQNABRKEF-MSOLQXFVSA-N 2 2 369.469 0.446 20 30 FCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420201207 489950394 /nfs/dbraw/zinc/95/03/94/489950394.db2.gz NCTIGYQNABRKEF-QZTJIDSGSA-N 2 2 369.469 0.446 20 30 FCEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000378536581 490083215 /nfs/dbraw/zinc/08/32/15/490083215.db2.gz ICOOKZFUQVVMOY-UHFFFAOYSA-N 2 2 372.469 0.334 20 30 FCEDLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521414004 490258368 /nfs/dbraw/zinc/25/83/68/490258368.db2.gz JVEMFFAHLHQLLP-UHFFFAOYSA-N 2 2 357.458 0.318 20 30 FCEDLP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C[NH3+])C1 ZINC000557003634 491348752 /nfs/dbraw/zinc/34/87/52/491348752.db2.gz LDMQFKXDDFQXQF-GFCCVEGCSA-N 2 2 357.393 0.990 20 30 FCEDLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C[NH3+])C1 ZINC000557003634 491348753 /nfs/dbraw/zinc/34/87/53/491348753.db2.gz LDMQFKXDDFQXQF-GFCCVEGCSA-N 2 2 357.393 0.990 20 30 FCEDLP Cc1ccnc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000541279547 490856958 /nfs/dbraw/zinc/85/69/58/490856958.db2.gz XBTRRHTWGVVYMX-UHFFFAOYSA-N 2 2 370.501 0.936 20 30 FCEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCC[NH+]1CCOCC1 ZINC000530539529 490912049 /nfs/dbraw/zinc/91/20/49/490912049.db2.gz DTPARQQYJHWHFU-UHFFFAOYSA-N 2 2 352.479 0.563 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)CCC#N)CC2)CC1 ZINC000569599687 491173023 /nfs/dbraw/zinc/17/30/23/491173023.db2.gz FUAZLMJPGIBCNL-UHFFFAOYSA-N 2 2 357.524 0.569 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)CCC#N)CC2)CC1 ZINC000569599687 491173025 /nfs/dbraw/zinc/17/30/25/491173025.db2.gz FUAZLMJPGIBCNL-UHFFFAOYSA-N 2 2 357.524 0.569 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000557768216 491397006 /nfs/dbraw/zinc/39/70/06/491397006.db2.gz VSJMDSHLPAJYHP-MRXNPFEDSA-N 2 2 366.506 0.322 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494618 491448519 /nfs/dbraw/zinc/44/85/19/491448519.db2.gz BBFRTJUGTUAXRG-SQWLQELKSA-N 2 2 362.499 0.895 20 30 FCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494618 491448520 /nfs/dbraw/zinc/44/85/20/491448520.db2.gz BBFRTJUGTUAXRG-SQWLQELKSA-N 2 2 362.499 0.895 20 30 FCEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)CC1 ZINC000578863719 491685799 /nfs/dbraw/zinc/68/57/99/491685799.db2.gz XTAPRTYQGXSGLE-MRXNPFEDSA-N 2 2 371.551 0.957 20 30 FCEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)CC1 ZINC000578863719 491685800 /nfs/dbraw/zinc/68/58/00/491685800.db2.gz XTAPRTYQGXSGLE-MRXNPFEDSA-N 2 2 371.551 0.957 20 30 FCEDLP C=CCCOCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082583 491831098 /nfs/dbraw/zinc/83/10/98/491831098.db2.gz LDNOXWVWFXSTHF-UHFFFAOYSA-N 2 2 366.506 0.276 20 30 FCEDLP CC#CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000641031122 493162894 /nfs/dbraw/zinc/16/28/94/493162894.db2.gz CEMYKXCIDYHDOK-UHFFFAOYSA-N 2 2 372.498 0.797 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000265000999 526358390 /nfs/dbraw/zinc/35/83/90/526358390.db2.gz WCIDQVJOWLCVKK-HNNXBMFYSA-N 2 2 365.547 0.992 20 30 FCEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000265000999 526358395 /nfs/dbraw/zinc/35/83/95/526358395.db2.gz WCIDQVJOWLCVKK-HNNXBMFYSA-N 2 2 365.547 0.992 20 30 FCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261690117 526359853 /nfs/dbraw/zinc/35/98/53/526359853.db2.gz DZQNAGILEFTANG-OAHLLOKOSA-N 2 2 352.508 0.418 20 30 FCEDLP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000262788322 526372832 /nfs/dbraw/zinc/37/28/32/526372832.db2.gz NCNOXVNWWSWABZ-MRXNPFEDSA-N 3 2 362.547 0.441 20 30 FCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261776407 526387646 /nfs/dbraw/zinc/38/76/46/526387646.db2.gz PRDRNBUEXROCIP-UHFFFAOYSA-N 2 2 361.494 0.176 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553832 526606926 /nfs/dbraw/zinc/60/69/26/526606926.db2.gz IZPUNGDNPNROFN-JXFKEZNVSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553832 526606927 /nfs/dbraw/zinc/60/69/27/526606927.db2.gz IZPUNGDNPNROFN-JXFKEZNVSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249553832 526606930 /nfs/dbraw/zinc/60/69/30/526606930.db2.gz IZPUNGDNPNROFN-JXFKEZNVSA-N 2 2 374.485 0.956 20 30 FCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249553832 526606934 /nfs/dbraw/zinc/60/69/34/526606934.db2.gz IZPUNGDNPNROFN-JXFKEZNVSA-N 2 2 374.485 0.956 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268045410 526998362 /nfs/dbraw/zinc/99/83/62/526998362.db2.gz RSYXBQLVUZOHJG-UHFFFAOYSA-N 2 2 362.499 0.707 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268045410 526998367 /nfs/dbraw/zinc/99/83/67/526998367.db2.gz RSYXBQLVUZOHJG-UHFFFAOYSA-N 2 2 362.499 0.707 20 30 FCEDLP C=C(C)C[NH+]1CCC(NC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000120711849 546514250 /nfs/dbraw/zinc/51/42/50/546514250.db2.gz MHXIFEADBSEVIQ-UHFFFAOYSA-N 2 2 354.495 0.363 20 30 FCEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971998376 663471764 /nfs/dbraw/zinc/47/17/64/663471764.db2.gz QCXZUGYAZCXKFR-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971998376 663471766 /nfs/dbraw/zinc/47/17/66/663471766.db2.gz QCXZUGYAZCXKFR-KSZLIROESA-N 2 2 351.491 0.975 20 30 FCEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000836247644 670040526 /nfs/dbraw/zinc/04/05/26/670040526.db2.gz AWLKCVIPJHLWJW-QGZVFWFLSA-N 2 2 354.520 0.449 20 30 FCEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000836247644 670040528 /nfs/dbraw/zinc/04/05/28/670040528.db2.gz AWLKCVIPJHLWJW-QGZVFWFLSA-N 2 2 354.520 0.449 20 30 FCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000884199841 673436225 /nfs/dbraw/zinc/43/62/25/673436225.db2.gz LYHHCNDJAROZKS-NRLXWARBSA-N 2 2 364.515 0.450 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000988735006 1192422530 /nfs/dbraw/zinc/42/25/30/1192422530.db2.gz SRKAXYABORXJRL-IKGGRYGDSA-N 2 2 357.458 0.395 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000988735006 1192422539 /nfs/dbraw/zinc/42/25/39/1192422539.db2.gz SRKAXYABORXJRL-IKGGRYGDSA-N 2 2 357.458 0.395 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000988734991 1192422646 /nfs/dbraw/zinc/42/26/46/1192422646.db2.gz SBZRVEARZOAABL-NJAFHUGGSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC000988734991 1192422649 /nfs/dbraw/zinc/42/26/49/1192422649.db2.gz SBZRVEARZOAABL-NJAFHUGGSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC000988734991 1192422654 /nfs/dbraw/zinc/42/26/54/1192422654.db2.gz SBZRVEARZOAABL-NJAFHUGGSA-N 2 2 360.502 0.674 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC000988734991 1192422656 /nfs/dbraw/zinc/42/26/56/1192422656.db2.gz SBZRVEARZOAABL-NJAFHUGGSA-N 2 2 360.502 0.674 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001087251342 1180102088 /nfs/dbraw/zinc/10/20/88/1180102088.db2.gz PYMWTNNENFWOST-IKGGRYGDSA-N 2 2 359.474 0.887 20 30 FCEDLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104908788 1182991236 /nfs/dbraw/zinc/99/12/36/1182991236.db2.gz KSRPCRQOLSZIAN-ZIAGYGMSSA-N 2 2 360.462 0.401 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001691499335 1186639380 /nfs/dbraw/zinc/63/93/80/1186639380.db2.gz XFKNSGWBFBPFHK-RYQLBKOJSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001691499335 1186639383 /nfs/dbraw/zinc/63/93/83/1186639383.db2.gz XFKNSGWBFBPFHK-RYQLBKOJSA-N 2 2 371.485 0.472 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087998077 1190174634 /nfs/dbraw/zinc/17/46/34/1190174634.db2.gz PTTLPFCSXRODEQ-RYRKJORJSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087998077 1190174639 /nfs/dbraw/zinc/17/46/39/1190174639.db2.gz PTTLPFCSXRODEQ-RYRKJORJSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087998077 1190174643 /nfs/dbraw/zinc/17/46/43/1190174643.db2.gz PTTLPFCSXRODEQ-RYRKJORJSA-N 2 2 358.486 0.143 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087998077 1190174647 /nfs/dbraw/zinc/17/46/47/1190174647.db2.gz PTTLPFCSXRODEQ-RYRKJORJSA-N 2 2 358.486 0.143 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151840 1190678219 /nfs/dbraw/zinc/67/82/19/1190678219.db2.gz WWNHOLODEYSRFW-OWCLPIDISA-N 2 2 357.458 0.519 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151840 1190678225 /nfs/dbraw/zinc/67/82/25/1190678225.db2.gz WWNHOLODEYSRFW-OWCLPIDISA-N 2 2 357.458 0.519 20 30 FCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001276764418 1224133628 /nfs/dbraw/zinc/13/36/28/1224133628.db2.gz UPGHMCKDFGUSEZ-UHFFFAOYSA-N 2 2 361.490 0.379 20 30 FCEDLP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001218210743 1224147464 /nfs/dbraw/zinc/14/74/64/1224147464.db2.gz ILLKPQNLFHONNA-JKSUJKDBSA-N 2 2 373.409 0.461 20 30 FCEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105666644 1193897494 /nfs/dbraw/zinc/89/74/94/1193897494.db2.gz HOPSZYKXEJIKSN-IZBJGVDFSA-N 2 2 358.486 0.952 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)CC1 ZINC001076604887 1194593440 /nfs/dbraw/zinc/59/34/40/1194593440.db2.gz WGVXEXISHFBICQ-FUHWJXTLSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)CC1 ZINC001076604887 1194593444 /nfs/dbraw/zinc/59/34/44/1194593444.db2.gz WGVXEXISHFBICQ-FUHWJXTLSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001077159302 1195282022 /nfs/dbraw/zinc/28/20/22/1195282022.db2.gz YKLJLMMVIWKYIX-HSALFYBXSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001077159302 1195282024 /nfs/dbraw/zinc/28/20/24/1195282024.db2.gz YKLJLMMVIWKYIX-HSALFYBXSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001077159302 1195282027 /nfs/dbraw/zinc/28/20/27/1195282027.db2.gz YKLJLMMVIWKYIX-HSALFYBXSA-N 2 2 366.465 0.927 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001077159302 1195282030 /nfs/dbraw/zinc/28/20/30/1195282030.db2.gz YKLJLMMVIWKYIX-HSALFYBXSA-N 2 2 366.465 0.927 20 30 FCEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446121 1195586170 /nfs/dbraw/zinc/58/61/70/1195586170.db2.gz DFTQPVNYZLWETF-PMACEKPBSA-N 2 2 358.486 0.978 20 30 FCEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000591740004 1196526599 /nfs/dbraw/zinc/52/65/99/1196526599.db2.gz AKHXNNRZJZLKRE-RBUKOAKNSA-N 2 2 374.485 0.294 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635000 1224539884 /nfs/dbraw/zinc/53/98/84/1224539884.db2.gz NOYBHVJOLLJPOX-QRQLOZEOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635000 1224539889 /nfs/dbraw/zinc/53/98/89/1224539889.db2.gz NOYBHVJOLLJPOX-QRQLOZEOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635000 1224539894 /nfs/dbraw/zinc/53/98/94/1224539894.db2.gz NOYBHVJOLLJPOX-QRQLOZEOSA-N 2 2 363.502 0.452 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635000 1224539897 /nfs/dbraw/zinc/53/98/97/1224539897.db2.gz NOYBHVJOLLJPOX-QRQLOZEOSA-N 2 2 363.502 0.452 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396795 1200243135 /nfs/dbraw/zinc/24/31/35/1200243135.db2.gz JUXSEIBCVAFJMV-MHORFTMASA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396795 1200243138 /nfs/dbraw/zinc/24/31/38/1200243138.db2.gz JUXSEIBCVAFJMV-MHORFTMASA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396795 1200243147 /nfs/dbraw/zinc/24/31/47/1200243147.db2.gz JUXSEIBCVAFJMV-MHORFTMASA-N 2 2 362.518 0.988 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396795 1200243155 /nfs/dbraw/zinc/24/31/55/1200243155.db2.gz JUXSEIBCVAFJMV-MHORFTMASA-N 2 2 362.518 0.988 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486315 1200328052 /nfs/dbraw/zinc/32/80/52/1200328052.db2.gz TXRFQQOOGJJEOX-YVSFHVDLSA-N 2 2 358.486 0.474 20 30 FCEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109486315 1200328063 /nfs/dbraw/zinc/32/80/63/1200328063.db2.gz TXRFQQOOGJJEOX-YVSFHVDLSA-N 2 2 358.486 0.474 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555150 1200386710 /nfs/dbraw/zinc/38/67/10/1200386710.db2.gz JCNHGFDYLXRWIH-DFEOGRTESA-N 2 2 360.502 0.885 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555150 1200386723 /nfs/dbraw/zinc/38/67/23/1200386723.db2.gz JCNHGFDYLXRWIH-DFEOGRTESA-N 2 2 360.502 0.885 20 30 FCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798278 1200521487 /nfs/dbraw/zinc/52/14/87/1200521487.db2.gz CSTXYPXKQMTZJJ-VSZNYVQBSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798278 1200521503 /nfs/dbraw/zinc/52/15/03/1200521503.db2.gz CSTXYPXKQMTZJJ-VSZNYVQBSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798278 1200521509 /nfs/dbraw/zinc/52/15/09/1200521509.db2.gz CSTXYPXKQMTZJJ-VSZNYVQBSA-N 2 2 360.502 0.720 20 30 FCEDLP C#CCNC(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790373163 1201075939 /nfs/dbraw/zinc/07/59/39/1201075939.db2.gz VPQLPCRALLABLL-IBGZPJMESA-N 2 2 360.458 0.322 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC001130216178 1201547077 /nfs/dbraw/zinc/54/70/77/1201547077.db2.gz PUSIXXJJJXFATH-KBPBESRZSA-N 2 2 360.462 0.001 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)[N@@H+](C)CC)n[nH]1 ZINC001130220765 1201550647 /nfs/dbraw/zinc/55/06/47/1201550647.db2.gz LCSDYXVXIDBWAL-KBPBESRZSA-N 2 2 362.478 0.247 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)[N@H+](C)CC)n[nH]1 ZINC001130220765 1201550651 /nfs/dbraw/zinc/55/06/51/1201550651.db2.gz LCSDYXVXIDBWAL-KBPBESRZSA-N 2 2 362.478 0.247 20 30 FCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130573878 1202720835 /nfs/dbraw/zinc/72/08/35/1202720835.db2.gz DLGZGFXYCXDJOW-DOTOQJQBSA-N 2 2 370.457 0.310 20 30 FCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685287 1202753551 /nfs/dbraw/zinc/75/35/51/1202753551.db2.gz MMRMKDVPQUYFBI-DOTOQJQBSA-N 2 2 358.446 0.473 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@H+]3C)n2)O1 ZINC001130790034 1202797910 /nfs/dbraw/zinc/79/79/10/1202797910.db2.gz DWUHWYPPSPTODD-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3C)n2)O1 ZINC001130790034 1202797914 /nfs/dbraw/zinc/79/79/14/1202797914.db2.gz DWUHWYPPSPTODD-RRFJBIMHSA-N 2 2 362.478 0.901 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790426 1202799679 /nfs/dbraw/zinc/79/96/79/1202799679.db2.gz ZJZBXMFEAWNONF-LSDHHAIUSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790426 1202799680 /nfs/dbraw/zinc/79/96/80/1202799680.db2.gz ZJZBXMFEAWNONF-LSDHHAIUSA-N 2 2 360.462 0.348 20 30 FCEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3c[nH+]cn3C)n2)O1 ZINC001130816170 1202807069 /nfs/dbraw/zinc/80/70/69/1202807069.db2.gz NISLIVXFTDFYKH-LSDHHAIUSA-N 2 2 371.445 0.230 20 30 FCEDLP CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131320586 1202887025 /nfs/dbraw/zinc/88/70/25/1202887025.db2.gz ASPAPBZDTLQMGC-BBWFWOEESA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131320586 1202887027 /nfs/dbraw/zinc/88/70/27/1202887027.db2.gz ASPAPBZDTLQMGC-BBWFWOEESA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131320586 1202887029 /nfs/dbraw/zinc/88/70/29/1202887029.db2.gz ASPAPBZDTLQMGC-BBWFWOEESA-N 2 2 362.474 0.456 20 30 FCEDLP CC#CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131320586 1202887031 /nfs/dbraw/zinc/88/70/31/1202887031.db2.gz ASPAPBZDTLQMGC-BBWFWOEESA-N 2 2 362.474 0.456 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220358087 1224842135 /nfs/dbraw/zinc/84/21/35/1224842135.db2.gz YJQURIJEPNSZKB-MOPGFXCFSA-N 2 2 359.470 0.215 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220358087 1224842141 /nfs/dbraw/zinc/84/21/41/1224842141.db2.gz YJQURIJEPNSZKB-MOPGFXCFSA-N 2 2 359.470 0.215 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220388075 1224854104 /nfs/dbraw/zinc/85/41/04/1224854104.db2.gz ZJETWEVFKOYNKI-WCIQWLHISA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220388075 1224854107 /nfs/dbraw/zinc/85/41/07/1224854107.db2.gz ZJETWEVFKOYNKI-WCIQWLHISA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220388075 1224854112 /nfs/dbraw/zinc/85/41/12/1224854112.db2.gz ZJETWEVFKOYNKI-WCIQWLHISA-N 2 2 371.481 0.143 20 30 FCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220388075 1224854114 /nfs/dbraw/zinc/85/41/14/1224854114.db2.gz ZJETWEVFKOYNKI-WCIQWLHISA-N 2 2 371.481 0.143 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cnn(C)c1 ZINC001086985430 1204879814 /nfs/dbraw/zinc/87/98/14/1204879814.db2.gz JTJKSDSYCACRLP-DOTOQJQBSA-N 2 2 356.430 0.301 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093292579 1206074636 /nfs/dbraw/zinc/07/46/36/1206074636.db2.gz XBISKZAEGTWLBH-BRWVUGGUSA-N 2 2 359.474 0.744 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1=O ZINC001094189579 1206204900 /nfs/dbraw/zinc/20/49/00/1206204900.db2.gz BOHLSGYTKBQQCH-FVQBIDKESA-N 2 2 359.474 0.732 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185942376 1206488708 /nfs/dbraw/zinc/48/87/08/1206488708.db2.gz KNECEEDOWRFTML-BPQIPLTHSA-N 2 2 358.490 0.895 20 30 FCEDLP CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185942376 1206488709 /nfs/dbraw/zinc/48/87/09/1206488709.db2.gz KNECEEDOWRFTML-BPQIPLTHSA-N 2 2 358.490 0.895 20 30 FCEDLP COC(=O)[C@@H]([NH3+])CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643512 1224982946 /nfs/dbraw/zinc/98/29/46/1224982946.db2.gz IJJWPKABUJYQPA-INIZCTEOSA-N 2 2 358.442 0.941 20 30 FCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189267621 1207530523 /nfs/dbraw/zinc/53/05/23/1207530523.db2.gz YDWRBQZELQJSRW-JKSUJKDBSA-N 2 2 359.474 0.841 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189267621 1207530529 /nfs/dbraw/zinc/53/05/29/1207530529.db2.gz YDWRBQZELQJSRW-JKSUJKDBSA-N 2 2 359.474 0.841 20 30 FCEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690758 1208186491 /nfs/dbraw/zinc/18/64/91/1208186491.db2.gz XTVQTPXYMWEQMJ-QWFCFKBJSA-N 2 2 359.470 0.275 20 30 FCEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197690758 1208186493 /nfs/dbraw/zinc/18/64/93/1208186493.db2.gz XTVQTPXYMWEQMJ-QWFCFKBJSA-N 2 2 359.470 0.275 20 30 FCEDLP C#C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000775791970 1208204827 /nfs/dbraw/zinc/20/48/27/1208204827.db2.gz PGBVZWGPYSOYFF-WOJBJXKFSA-N 2 2 371.481 0.905 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949535 1208208727 /nfs/dbraw/zinc/20/87/27/1208208727.db2.gz SLGFCDJATCBUJR-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949535 1208208729 /nfs/dbraw/zinc/20/87/29/1208208729.db2.gz SLGFCDJATCBUJR-IAGOWNOFSA-N 2 2 368.522 0.304 20 30 FCEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001198021284 1208214674 /nfs/dbraw/zinc/21/46/74/1208214674.db2.gz WFYGZGXJQNLNHZ-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001198021284 1208214676 /nfs/dbraw/zinc/21/46/76/1208214676.db2.gz WFYGZGXJQNLNHZ-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001198021284 1208214678 /nfs/dbraw/zinc/21/46/78/1208214678.db2.gz WFYGZGXJQNLNHZ-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001198021284 1208214680 /nfs/dbraw/zinc/21/46/80/1208214680.db2.gz WFYGZGXJQNLNHZ-IAGOWNOFSA-N 2 2 360.458 0.570 20 30 FCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001201041567 1208444932 /nfs/dbraw/zinc/44/49/32/1208444932.db2.gz DHGSIQUFJRSPDJ-SQNIBIBYSA-N 2 2 367.490 0.259 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220822311 1225088170 /nfs/dbraw/zinc/08/81/70/1225088170.db2.gz SLVPXFRWXVKPND-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220822311 1225088176 /nfs/dbraw/zinc/08/81/76/1225088176.db2.gz SLVPXFRWXVKPND-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220822311 1225088182 /nfs/dbraw/zinc/08/81/82/1225088182.db2.gz SLVPXFRWXVKPND-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220822311 1225088187 /nfs/dbraw/zinc/08/81/87/1225088187.db2.gz SLVPXFRWXVKPND-ZACQAIPSSA-N 2 2 368.522 0.303 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809099 1209886259 /nfs/dbraw/zinc/88/62/59/1209886259.db2.gz VFZDLZYPYJFCMB-OIISXLGYSA-N 2 2 353.426 0.972 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809099 1209886260 /nfs/dbraw/zinc/88/62/60/1209886260.db2.gz VFZDLZYPYJFCMB-OIISXLGYSA-N 2 2 353.426 0.972 20 30 FCEDLP O=C(NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202151 1210178899 /nfs/dbraw/zinc/17/88/99/1210178899.db2.gz WQKKFQGTKFDVPJ-LNEUUDGLSA-N 2 2 370.453 0.739 20 30 FCEDLP O=C(NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1N=CC=CC1=O ZINC000872202151 1210178907 /nfs/dbraw/zinc/17/89/07/1210178907.db2.gz WQKKFQGTKFDVPJ-LNEUUDGLSA-N 2 2 370.453 0.739 20 30 FCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000884060029 1210712661 /nfs/dbraw/zinc/71/26/61/1210712661.db2.gz MAWKSTHHMJYNTQ-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000884060029 1210712667 /nfs/dbraw/zinc/71/26/67/1210712667.db2.gz MAWKSTHHMJYNTQ-SFHVURJKSA-N 2 2 370.501 0.730 20 30 FCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000884206507 1210722765 /nfs/dbraw/zinc/72/27/65/1210722765.db2.gz XANGSEUYVBCFPI-ULQDDVLXSA-N 2 2 366.506 0.450 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941085 1211597518 /nfs/dbraw/zinc/59/75/18/1211597518.db2.gz OAYLWTZHACFWOD-WCXIOVBPSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941085 1211597521 /nfs/dbraw/zinc/59/75/21/1211597521.db2.gz OAYLWTZHACFWOD-WCXIOVBPSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941085 1211597527 /nfs/dbraw/zinc/59/75/27/1211597527.db2.gz OAYLWTZHACFWOD-WCXIOVBPSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941085 1211597534 /nfs/dbraw/zinc/59/75/34/1211597534.db2.gz OAYLWTZHACFWOD-WCXIOVBPSA-N 2 2 364.490 0.119 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444855 1225314864 /nfs/dbraw/zinc/31/48/64/1225314864.db2.gz QEPLJBPJGHVGLF-KZNAEPCWSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444855 1225314869 /nfs/dbraw/zinc/31/48/69/1225314869.db2.gz QEPLJBPJGHVGLF-KZNAEPCWSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444855 1225314876 /nfs/dbraw/zinc/31/48/76/1225314876.db2.gz QEPLJBPJGHVGLF-KZNAEPCWSA-N 2 2 360.502 0.814 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444855 1225314883 /nfs/dbraw/zinc/31/48/83/1225314883.db2.gz QEPLJBPJGHVGLF-KZNAEPCWSA-N 2 2 360.502 0.814 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111163959 1211907037 /nfs/dbraw/zinc/90/70/37/1211907037.db2.gz BRKAEVIHKWJYEC-VXNCWWDNSA-N 2 2 362.518 0.824 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111163959 1211907042 /nfs/dbraw/zinc/90/70/42/1211907042.db2.gz BRKAEVIHKWJYEC-VXNCWWDNSA-N 2 2 362.518 0.824 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169380 1211909920 /nfs/dbraw/zinc/90/99/20/1211909920.db2.gz QIARPHTULHHYFD-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169380 1211909924 /nfs/dbraw/zinc/90/99/24/1211909924.db2.gz QIARPHTULHHYFD-ZACQAIPSSA-N 2 2 363.506 0.812 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111216999 1211931476 /nfs/dbraw/zinc/93/14/76/1211931476.db2.gz BEXIZIAUHFUZCP-KURKYZTESA-N 2 2 360.502 0.578 20 30 FCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111216999 1211931482 /nfs/dbraw/zinc/93/14/82/1211931482.db2.gz BEXIZIAUHFUZCP-KURKYZTESA-N 2 2 360.502 0.578 20 30 FCEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263462 1211987643 /nfs/dbraw/zinc/98/76/43/1211987643.db2.gz RZOHHBKIHIKMIL-KURKYZTESA-N 2 2 373.501 0.470 20 30 FCEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263462 1211987651 /nfs/dbraw/zinc/98/76/51/1211987651.db2.gz RZOHHBKIHIKMIL-KURKYZTESA-N 2 2 373.501 0.470 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659278 1225422206 /nfs/dbraw/zinc/42/22/06/1225422206.db2.gz MHKHETXUZPPADN-SJLPKXTDSA-N 2 2 369.469 0.190 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659278 1225422213 /nfs/dbraw/zinc/42/22/13/1225422213.db2.gz MHKHETXUZPPADN-SJLPKXTDSA-N 2 2 369.469 0.190 20 30 FCEDLP C=CCCCC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276356761 1213445826 /nfs/dbraw/zinc/44/58/26/1213445826.db2.gz FXLNNJOIVWQDMA-UHFFFAOYSA-N 2 2 364.534 0.893 20 30 FCEDLP C=CCCCC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276356761 1213445831 /nfs/dbraw/zinc/44/58/31/1213445831.db2.gz FXLNNJOIVWQDMA-UHFFFAOYSA-N 2 2 364.534 0.893 20 30 FCEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762254 1225470322 /nfs/dbraw/zinc/47/03/22/1225470322.db2.gz VOEWSHSKAKQAKN-IXDOHACOSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762254 1225470327 /nfs/dbraw/zinc/47/03/27/1225470327.db2.gz VOEWSHSKAKQAKN-IXDOHACOSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762254 1225470330 /nfs/dbraw/zinc/47/03/30/1225470330.db2.gz VOEWSHSKAKQAKN-IXDOHACOSA-N 2 2 361.490 0.281 20 30 FCEDLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221762254 1225470333 /nfs/dbraw/zinc/47/03/33/1225470333.db2.gz VOEWSHSKAKQAKN-IXDOHACOSA-N 2 2 361.490 0.281 20 30 FCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001016747520 1214040794 /nfs/dbraw/zinc/04/07/94/1214040794.db2.gz XEGXYGWQWADTAF-FGTMMUONSA-N 2 2 361.486 0.470 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221910582 1225531171 /nfs/dbraw/zinc/53/11/71/1225531171.db2.gz KMRPQMQYTNGBIV-IAGOWNOFSA-N 2 2 361.490 0.279 20 30 FCEDLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221910582 1225531177 /nfs/dbraw/zinc/53/11/77/1225531177.db2.gz KMRPQMQYTNGBIV-IAGOWNOFSA-N 2 2 361.490 0.279 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013580 1225576213 /nfs/dbraw/zinc/57/62/13/1225576213.db2.gz GOKCAZLXCKYJAQ-IXDOHACOSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013580 1225576218 /nfs/dbraw/zinc/57/62/18/1225576218.db2.gz GOKCAZLXCKYJAQ-IXDOHACOSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013580 1225576221 /nfs/dbraw/zinc/57/62/21/1225576221.db2.gz GOKCAZLXCKYJAQ-IXDOHACOSA-N 2 2 361.490 0.233 20 30 FCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013580 1225576224 /nfs/dbraw/zinc/57/62/24/1225576224.db2.gz GOKCAZLXCKYJAQ-IXDOHACOSA-N 2 2 361.490 0.233 20 30 FCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006356 1216894017 /nfs/dbraw/zinc/89/40/17/1216894017.db2.gz RNHSSYCBTWRGRF-IXDOHACOSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006356 1216894019 /nfs/dbraw/zinc/89/40/19/1216894019.db2.gz RNHSSYCBTWRGRF-IXDOHACOSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006356 1216894021 /nfs/dbraw/zinc/89/40/21/1216894021.db2.gz RNHSSYCBTWRGRF-IXDOHACOSA-N 2 2 362.478 0.305 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006356 1216894025 /nfs/dbraw/zinc/89/40/25/1216894025.db2.gz RNHSSYCBTWRGRF-IXDOHACOSA-N 2 2 362.478 0.305 20 30 FCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027271 1216905745 /nfs/dbraw/zinc/90/57/45/1216905745.db2.gz WFHNHJIRGXGMGO-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027271 1216905750 /nfs/dbraw/zinc/90/57/50/1216905750.db2.gz WFHNHJIRGXGMGO-ANQUJSFKSA-N 2 2 355.446 0.733 20 30 FCEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952607 1218352626 /nfs/dbraw/zinc/35/26/26/1218352626.db2.gz OHATWVUDSWBPQQ-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952607 1218352637 /nfs/dbraw/zinc/35/26/37/1218352637.db2.gz OHATWVUDSWBPQQ-HCXYKTFWSA-N 2 2 363.502 0.833 20 30 FCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334646 1219383795 /nfs/dbraw/zinc/38/37/95/1219383795.db2.gz JJKGVGVROVCGHM-IKGGRYGDSA-N 2 2 355.446 0.504 20 30 FCEDLP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384947 1219408370 /nfs/dbraw/zinc/40/83/70/1219408370.db2.gz SXPKBBSRSOMXTQ-APWZRJJASA-N 2 2 359.474 0.935 20 30 FCEDLP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384932 1219408564 /nfs/dbraw/zinc/40/85/64/1219408564.db2.gz SIHNTXLISUTQRG-APWZRJJASA-N 2 2 357.458 0.382 20 30 FCEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445622 1219412064 /nfs/dbraw/zinc/41/20/64/1219412064.db2.gz GTQATLXHBNBCEZ-FVQBIDKESA-N 2 2 356.474 0.314 20 30 FCEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445622 1219412068 /nfs/dbraw/zinc/41/20/68/1219412068.db2.gz GTQATLXHBNBCEZ-FVQBIDKESA-N 2 2 356.474 0.314 20 30 FCEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445483 1219412107 /nfs/dbraw/zinc/41/21/07/1219412107.db2.gz CDGRAVAIXHDZAI-GVDBMIGSSA-N 2 2 370.501 0.704 20 30 FCEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445483 1219412110 /nfs/dbraw/zinc/41/21/10/1219412110.db2.gz CDGRAVAIXHDZAI-GVDBMIGSSA-N 2 2 370.501 0.704 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cn(C)cn1 ZINC001070507676 1219444682 /nfs/dbraw/zinc/44/46/82/1219444682.db2.gz JOHXKPDLVHYNKO-WMLDXEAASA-N 2 2 356.430 0.301 20 30 FCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001070662107 1219513877 /nfs/dbraw/zinc/51/38/77/1219513877.db2.gz LPIFZDWYIIDABQ-DJIMGWMZSA-N 2 2 352.442 0.396 20 30 FCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098220917 1219742911 /nfs/dbraw/zinc/74/29/11/1219742911.db2.gz MEKGPERCRYBCNZ-MXASKKJJSA-N 2 2 357.458 0.471 20 30 FCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098220917 1219742913 /nfs/dbraw/zinc/74/29/13/1219742913.db2.gz MEKGPERCRYBCNZ-MXASKKJJSA-N 2 2 357.458 0.471 20 30 FCEDLP C[NH+](C)CC#CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001228364215 1225915825 /nfs/dbraw/zinc/91/58/25/1225915825.db2.gz SVNXTUPOUWZJTQ-IBGZPJMESA-N 2 2 358.486 0.794 20 30 FCEDLP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001098734928 1219817205 /nfs/dbraw/zinc/81/72/05/1219817205.db2.gz ZQRIAXOBMKFJFV-BRWVUGGUSA-N 2 2 367.457 0.702 20 30 FCEDLP C=CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1=O ZINC001099507009 1220017474 /nfs/dbraw/zinc/01/74/74/1220017474.db2.gz ZAJFQQPOSBEXSC-VPWXQRGCSA-N 2 2 371.485 0.957 20 30 FCEDLP C=CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1=O ZINC001099540936 1220028101 /nfs/dbraw/zinc/02/81/01/1220028101.db2.gz IHEQERDEEQUVSA-ZWOKBUDYSA-N 2 2 371.485 0.888 20 30 FCEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367736 1220305135 /nfs/dbraw/zinc/30/51/35/1220305135.db2.gz JERBXNNCZOIFON-NLDJYOPPSA-N 2 2 369.469 0.053 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367736 1220305137 /nfs/dbraw/zinc/30/51/37/1220305137.db2.gz JERBXNNCZOIFON-NLDJYOPPSA-N 2 2 369.469 0.053 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101432644 1220341931 /nfs/dbraw/zinc/34/19/31/1220341931.db2.gz WPLJDJRSPUJUKW-KUHUBIRLSA-N 2 2 370.457 0.181 20 30 FCEDLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101432644 1220341936 /nfs/dbraw/zinc/34/19/36/1220341936.db2.gz WPLJDJRSPUJUKW-KUHUBIRLSA-N 2 2 370.457 0.181 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408065 1220612575 /nfs/dbraw/zinc/61/25/75/1220612575.db2.gz XNKFPNZYESHRBY-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408065 1220612583 /nfs/dbraw/zinc/61/25/83/1220612583.db2.gz XNKFPNZYESHRBY-HZPDHXFCSA-N 2 2 359.474 0.837 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103068145 1220828480 /nfs/dbraw/zinc/82/84/80/1220828480.db2.gz BTHYGSFQUMIAJZ-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103068145 1220828482 /nfs/dbraw/zinc/82/84/82/1220828482.db2.gz BTHYGSFQUMIAJZ-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103068145 1220828484 /nfs/dbraw/zinc/82/84/84/1220828484.db2.gz BTHYGSFQUMIAJZ-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103068145 1220828485 /nfs/dbraw/zinc/82/84/85/1220828485.db2.gz BTHYGSFQUMIAJZ-BZUAXINKSA-N 2 2 359.474 0.554 20 30 FCEDLP 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C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC001118616126 1221808720 /nfs/dbraw/zinc/80/87/20/1221808720.db2.gz IQQVMWKRFZYAFS-CVEARBPZSA-N 2 2 361.490 0.423 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC001118616126 1221808723 /nfs/dbraw/zinc/80/87/23/1221808723.db2.gz IQQVMWKRFZYAFS-CVEARBPZSA-N 2 2 361.490 0.423 20 30 FCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000837397162 1222646035 /nfs/dbraw/zinc/64/60/35/1222646035.db2.gz BCXVAZGRPBPZLN-UHFFFAOYSA-N 2 2 360.502 0.535 20 30 FCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000837397162 1222646041 /nfs/dbraw/zinc/64/60/41/1222646041.db2.gz BCXVAZGRPBPZLN-UHFFFAOYSA-N 2 2 360.502 0.535 20 30 FCEDLP C#CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277712375 1226167589 /nfs/dbraw/zinc/16/75/89/1226167589.db2.gz OYAAOHZYVKURTB-SJORKVTESA-N 2 2 360.458 0.112 20 30 FCEDLP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 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/nfs/dbraw/zinc/91/28/47/1257912847.db2.gz RZWYCBILUSRNQQ-MOPGFXCFSA-N 2 2 359.445 0.832 20 30 FCEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538276 1258159456 /nfs/dbraw/zinc/15/94/56/1258159456.db2.gz AYUIKYVUIIJSQV-MKXGPGLRSA-N 2 2 363.502 0.975 20 30 FCEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538276 1258159460 /nfs/dbraw/zinc/15/94/60/1258159460.db2.gz AYUIKYVUIIJSQV-MKXGPGLRSA-N 2 2 363.502 0.975 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001084851217 1258399937 /nfs/dbraw/zinc/39/99/37/1258399937.db2.gz SFNIFSUWUICZHE-SJLPKXTDSA-N 2 2 356.474 0.193 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001084851217 1258399945 /nfs/dbraw/zinc/39/99/45/1258399945.db2.gz SFNIFSUWUICZHE-SJLPKXTDSA-N 2 2 356.474 0.193 20 30 FCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170769 1258690057 /nfs/dbraw/zinc/69/00/57/1258690057.db2.gz FTGJZKYPXBXJLQ-RYRKJORJSA-N 2 2 371.485 0.530 20 30 FCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170769 1258690060 /nfs/dbraw/zinc/69/00/60/1258690060.db2.gz FTGJZKYPXBXJLQ-RYRKJORJSA-N 2 2 371.485 0.530 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)CC[C@@H]3C2)CC1 ZINC001088212061 1258734796 /nfs/dbraw/zinc/73/47/96/1258734796.db2.gz NAGNVWUAVKLIHB-MSOLQXFVSA-N 2 2 370.501 0.739 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)CC[C@@H]3C2)CC1 ZINC001088212061 1258734801 /nfs/dbraw/zinc/73/48/01/1258734801.db2.gz NAGNVWUAVKLIHB-MSOLQXFVSA-N 2 2 370.501 0.739 20 30 FCEDLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106656432 1258934080 /nfs/dbraw/zinc/93/40/80/1258934080.db2.gz VUQPLVPQEPMLPX-MGPQQGTHSA-N 2 2 358.446 0.153 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CCC)n[nH]1 ZINC001130251201 1259375608 /nfs/dbraw/zinc/37/56/08/1259375608.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CCC)n[nH]1 ZINC001130251201 1259375616 /nfs/dbraw/zinc/37/56/16/1259375616.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 2 2 362.478 0.248 20 30 FCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728855 1259420096 /nfs/dbraw/zinc/42/00/96/1259420096.db2.gz KTJFOROIYCFVBK-RRFJBIMHSA-N 2 2 361.446 0.023 20 30 FCEDLP C=CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252467071 1259791765 /nfs/dbraw/zinc/79/17/65/1259791765.db2.gz VMUFEAGAPBQZPM-KRWDZBQOSA-N 2 2 362.474 0.608 20 30 FCEDLP C=CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252467071 1259791770 /nfs/dbraw/zinc/79/17/70/1259791770.db2.gz VMUFEAGAPBQZPM-KRWDZBQOSA-N 2 2 362.474 0.608 20 30 FCEDLP C=C[C@](C)(O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252552847 1259795865 /nfs/dbraw/zinc/79/58/65/1259795865.db2.gz NAFIJJLZLLPYKU-LPHOPBHVSA-N 2 2 364.490 0.605 20 30 FCEDLP C=C[C@](C)(O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252552847 1259795867 /nfs/dbraw/zinc/79/58/67/1259795867.db2.gz NAFIJJLZLLPYKU-LPHOPBHVSA-N 2 2 364.490 0.605 20 30 FCEDLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550183 1261736725 /nfs/dbraw/zinc/73/67/25/1261736725.db2.gz ZBXBTTDWPKUPDQ-YLJYHZDGSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001345550183 1261736727 /nfs/dbraw/zinc/73/67/27/1261736727.db2.gz ZBXBTTDWPKUPDQ-YLJYHZDGSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550183 1261736730 /nfs/dbraw/zinc/73/67/30/1261736730.db2.gz ZBXBTTDWPKUPDQ-YLJYHZDGSA-N 2 2 367.497 0.981 20 30 FCEDLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001345550183 1261736734 /nfs/dbraw/zinc/73/67/34/1261736734.db2.gz ZBXBTTDWPKUPDQ-YLJYHZDGSA-N 2 2 367.497 0.981 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(CC)CCC#N)C2)CC[N@@H+]1C ZINC001479953474 1263419841 /nfs/dbraw/zinc/41/98/41/1263419841.db2.gz QDRSNIHFTKASKD-IXDOHACOSA-N 2 2 363.506 0.669 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001479953474 1263419844 /nfs/dbraw/zinc/41/98/44/1263419844.db2.gz QDRSNIHFTKASKD-IXDOHACOSA-N 2 2 363.506 0.669 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N(CC)CCC#N)C2)CC[NH+]1C ZINC001479953474 1263419845 /nfs/dbraw/zinc/41/98/45/1263419845.db2.gz QDRSNIHFTKASKD-IXDOHACOSA-N 2 2 363.506 0.669 20 30 FCEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(CC)CCC#N)C2)CC[NH+]1C ZINC001479953474 1263419848 /nfs/dbraw/zinc/41/98/48/1263419848.db2.gz QDRSNIHFTKASKD-IXDOHACOSA-N 2 2 363.506 0.669 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975636 1264306368 /nfs/dbraw/zinc/30/63/68/1264306368.db2.gz PQLXJEKYLCJOEW-SFHVURJKSA-N 2 2 368.481 0.439 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975636 1264306378 /nfs/dbraw/zinc/30/63/78/1264306378.db2.gz PQLXJEKYLCJOEW-SFHVURJKSA-N 2 2 368.481 0.439 20 30 FCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 ZINC001324361619 1264625594 /nfs/dbraw/zinc/62/55/94/1264625594.db2.gz HXLPYHFTZFKTJN-AWEZNQCLSA-N 2 2 373.461 0.020 20 30 FCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 ZINC001324361619 1264625603 /nfs/dbraw/zinc/62/56/03/1264625603.db2.gz HXLPYHFTZFKTJN-AWEZNQCLSA-N 2 2 373.461 0.020 20 30 FCEDLP C#CC[NH+]1CCN(c2nnc(CC3([NH+]4CCOCC4)CCCC3)n2C)CC1 ZINC001338426063 1267936786 /nfs/dbraw/zinc/93/67/86/1267936786.db2.gz GIRBBUXCYPEFAZ-UHFFFAOYSA-N 2 2 372.517 0.758 20 30 FCEDLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001575160003 1271755812 /nfs/dbraw/zinc/75/58/12/1271755812.db2.gz BWTCBEZRLQGXLR-GXTWGEPZSA-N 2 2 351.451 0.203 20 30 FCEDLP C#CC[NH+]1CCC(C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001588351714 1282446452 /nfs/dbraw/zinc/44/64/52/1282446452.db2.gz GEGSIJACAVRGPW-UHFFFAOYSA-N 2 2 368.445 0.159 20 30 FCEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001588353959 1282448975 /nfs/dbraw/zinc/44/89/75/1282448975.db2.gz CFAUYVXUSIKXCG-UHFFFAOYSA-N 2 2 367.457 0.560 20 30 FCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001689032103 1294576785 /nfs/dbraw/zinc/57/67/85/1294576785.db2.gz NBRQNOKCEAVIRQ-AYOQOUSVSA-N 2 2 366.469 0.787 20 30 FCEDLP